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Sample records for gas diffusion nmr

  1. Gas transport in aluminosilicate nanotubes by diffusion NMR

    OpenAIRE

    Dvoyashkin, Muslim; Wood, Ryan; Bowers, Clifford R.; Yucelen, Ipek; Nair, Sankar; Katihar, Aakanksha; Vasenkov, Sergey

    2015-01-01

    Diffusion of tetrafluoromethane in aluminosilicate nanotubes was studied by means of 13C pulsed field gradient (PFG) NMR at 297 K. The measured data allow the estimation of the diffusivity of tetrafluoromethane inside the nanotubes as well as the diffusivity for these molecules undergoing fast exchange between many nanotubes. The results support the assumption about the one-dimensional nature of the tetrafluoromethane diffusion inside nanotubes.

  2. Finite element modeling of 129Xe diffusive gas exchange NMR in the human alveoli

    Science.gov (United States)

    Stewart, Neil J.; Parra-Robles, Juan; Wild, Jim M.

    2016-10-01

    Existing models of 129Xe diffusive exchange for lung microstructural modeling with time-resolved MR spectroscopy data have considered analytical solutions to one-dimensional, homogeneous models of the lungs with specific assumptions about the alveolar geometry. In order to establish a model system for simulating the effects of physiologically-realistic changes in physical and microstructural parameters on 129Xe exchange NMR, we have developed a 3D alveolar capillary model for finite element analysis. To account for the heterogeneity of the alveolar geometry across the lungs, we have derived realistic geometries for finite element analysis based on 2D histological samples and 3D micro-CT image volumes obtained from ex vivo biopsies of lung tissue from normal subjects and patients with interstitial lung disease. The 3D alveolar capillary model permits investigation of the impact of alveolar geometrical parameters and diffusion and perfusion coefficients on the in vivo measured 129Xe CSSR signal response. The heterogeneity of alveolar microstructure that is accounted for in image-based models resulted in considerable alterations to the shape of the 129Xe diffusive uptake curve when compared to 1D models. Our findings have important implications for the future design and optimization of 129Xe MR experiments and in the interpretation of lung microstructural changes from this data.

  3. Gas Diffusion in the CNS.

    Science.gov (United States)

    Rodriguez-Grande, Beatriz; Konsman, Jan-Pieter

    2018-02-01

    Gases have been long known to have essential physiological functions in the CNS such as respiration or regulation of vascular tone. Since gases have been classically considered to freely diffuse, research in gas biology has so far focused on mechanisms of gas synthesis and gas reactivity, rather than gas diffusion and transport. However, the discovery of gas pores during the last two decades and the characterization of diverse diffusion patterns through different membranes has raised the possibility that modulation of gas diffusion is also a physiologically relevant parameter. Here we review the means of gas movement into and within the brain through "free" diffusion and gas pores, notably aquaporins, discussing the role that gas diffusion may play in the modulation of gas function. We highlight how diffusion is relevant to neuronal signaling, volume transmission, and cerebrovascular control in the case of NO, one of the most extensively studied gases. We point out how facilitated transport can be especially relevant for gases with low permeability in lipid membranes like NH 3 and discuss the possible implications of NH 3 -permeable channels in physiology and hyperammonemic encephalopathy. We identify novel research questions about how modulation of gas diffusion could intervene in CNS pathologies. This emerging area of research can provide novel and interesting insights in the field of gas biology. © 2017 Wiley Periodicals, Inc.

  4. Principles and limitations of NMR diffusion measurements

    Directory of Open Access Journals (Sweden)

    Hrabe Jan

    2007-01-01

    Full Text Available Diffusion spectroscopy, imaging and particularly diffusion tensor imaging have become popular thanks to their numerous clinical and research applications which span from brain stroke evaluation to fiber tracking. With a few exceptions, these methods are rooted in the classic Stejskal-Tanner formula for the diffusion-attenuated signal, usually obtained by solving the Bloch-Torrey partial differential equations. Here we derive the Stejskal-Tanner formula in the simplest possible manner, avoiding integrals and differential equations. This approach makes it easy to understand the origin of the diffusion signal attenuation, the effects of various diffusion sequence parameters, and also the numerous important pitfalls, which are discussed in the last section.

  5. Diffusion on Networks and Diffusion Weighted NMR of the Human Lung

    DEFF Research Database (Denmark)

    Buhl, Niels

    2011-01-01

    of the diffusion propagator to general properties of the underlying graph. Diffusion weighted NMR of the human lung with hyperpolarized noble gases, which over the last decade has been demonstrated to be a very promising way of detecting and quantifying lung diseases like emphysema, represent an obvious...

  6. Sorbate Transport in Carbon Molecular Sieve Membranes and FAU/EMT Intergrowth by Diffusion NMR

    Directory of Open Access Journals (Sweden)

    John J. Low

    2012-02-01

    Full Text Available In this paper we present and discuss selected results of our recent studies of sorbate self-diffusion in microporous materials. The main focus is given to transport properties of carbon molecular sieve (CMS membranes as well as of the intergrowth of FAU-type and EMT-type zeolites. CMS membranes show promise for applications in separations of mixtures of small gas molecules, while FAU/EMT intergrowth can be used as an active and selective cracking catalyst. For both types of applications diffusion of guest molecules in the micropore networks of these materials is expected to play an important role. Diffusion studies were performed by a pulsed field gradient (PFG NMR technique that combines advantages of high field (17.6 T NMR and high magnetic field gradients (up to 30 T/m. This technique has been recently introduced at the University of Florida in collaboration with the National Magnet Lab. In addition to a more conventional proton PFG NMR, also carbon-13 PFG NMR was used.

  7. Detecting gas hydrate behavior in crude oil using NMR.

    Science.gov (United States)

    Gao, Shuqiang; House, Waylon; Chapman, Walter G

    2006-04-06

    Because of the associated experimental difficulties, natural gas hydrate behavior in black oil is poorly understood despite its grave importance in deep-water flow assurance. Since the hydrate cannot be visually observed in black oil, traditional methods often rely on gas pressure changes to monitor hydrate formation and dissociation. Because gases have to diffuse through the liquid phase for hydrate behavior to create pressure responses, the complication of gas mass transfer is involved and hydrate behavior is only indirectly observed. This pressure monitoring technique encounters difficulties when the oil phase is too viscous, the amount of water is too small, or the gas phase is absent. In this work we employ proton nuclear magnetic resonance (NMR) spectroscopy to observe directly the liquid-to-solid conversion of the water component in black oil emulsions. The technique relies on two facts. The first, well-known, is that water becomes essentially invisible to liquid state NMR as it becomes immobile, as in hydrate or ice formation. The second, our recent finding, is that in high magnetic fields of sufficient homogeneity, it is possible to distinguish water from black oil spectrally by their chemical shifts. By following changes in the area of the water peak, the process of hydrate conversion can be measured, and, at lower temperatures, the formation of ice. Taking only seconds to accomplish, this measurement is nearly direct in contrast to conventional techniques that measure the pressure changes of the whole system and assume these changes represent formation or dissociation of hydrates - rather than simply changes in solubility. This new technique clearly can provide accurate hydrate thermodynamic data in black oils. Because the technique measures the total mobile water with rapidity, extensions should prove valuable in studying the dynamics of phase transitions in emulsions.

  8. Diffusion of light gases in advanced nanoporous membranes and catalysts via NMR diffusometry

    Science.gov (United States)

    Mueller, Robert A.

    Diffusion in nanoporous gas separation membranes and catalysts plays an important role in their selectivity and performance. As a result, there is an intense effort towards development of novel membranes and catalysts with microstructures tailored for improved transport properties. Fundamental understanding and prediction of the mass transport properties of these materials can be obtained by studies of mass transport on a broad range of microscopic length scales. In this dissertation, a novel NMR diffusometry technique is employed to study the influence of the pore network properties on light gas diffusion for several nanoporous systems, which represent promising advanced gas separation membranes and catalysts. The following systems were investigated: (i) carbon molecular sieve membranes, (ii) mixed-matrix membranes and (iii) rare-earth aerogel catalysts. For carbon molecular sieve membranes, the self-diffusion properties of several light gases of industrial importance are characterized by investigating the dependences of the self diffusivity on displacement length scale, temperature, sorbate loading and composition. Analysis of these dependences and comparison of the measured microscopic transport data with the corresponding results of membrane permeation enabled the determination of membrane structural properties which lead to the remarkable diffusion selectivity of these membranes. For mixed-matrix membranes, detailed measurements of light gas sorbate diffusion over a broad range of microscopic length scales enables resolution of the different modes of sorbate self-diffusion inside mixed-matrix membranes. Finally for samaria-aerogel catalyst, the influence of catalyst packing is explored based on detailed microscopic diffusion measurements over a broad range of sorbate loading pressures and detailed data analysis. These studies were enabled by application of a novel pulsed-field gradient nuclear magnetic resonance technique, developed in part by this work

  9. Acquisition strategy to obtain quantitative diffusion NMR data

    Science.gov (United States)

    Barrère, Caroline; Thureau, Pierre; Thévand, André; Viel, Stéphane

    2012-03-01

    Pulsed Gradient Spin Echo (PGSE) diffusion NMR experiments constitute a powerful tool for analyzing complex mixtures because they can in principle separate the NMR spectra of each mixture component. However, because these experiments intrinsically rely on spin echoes, they are traditionally regarded as non-quantitative, due to the signal attenuation caused by longitudinal (T1) and transverse (T2) nuclear magnetic relaxation during the rather long delays of the pulse sequence. Alternatively to the quantitative Direct Exponential Curve Resolution Algorithm (qDECRA) approach proposed by Antalek (J. Am. Chem. Soc. 128 (2006) 8402-8403), this work presents an acquisition strategy that renormalizes this relaxation attenuation using estimates of the T1 and T2 relaxation times for all the nuclei in the mixture, as obtained directly with the pulse sequence used to record the PGSE experiment. More specifically, it is shown that only three distinct PGSE experiments need to be recorded, each with a specific set of acquisition parameters. For small- and medium-sized molecules, only T1 is required for obtaining accurate quantification. For larger molecular weight species, which typically exhibit short T2 values, estimates of T2 must also be included but only a rough estimation is required. This appears fortunate because these data are especially hard to obtain with good accuracy when analyzing homonuclear scalar-coupled systems. Overall, the proposed methodology is shown to yield a quantification accuracy of ±5%, both in the absence and in the presence of spectral overlap, giving rise - at least, in our hands - to results that superseded those achieved by qDECRA, while requiring substantially less experimental time.

  10. Microgravity Turbulent Gas-Jet Diffusion Flames

    Science.gov (United States)

    1996-01-01

    A gas-jet diffusion flame is similar to the flame on a Bunsen burner, where a gaseous fuel (e.g., propane) flows from a nozzle into an oxygen-containing atmosphere (e.g., air). The difference is that a Bunsen burner allows for (partial) premixing of the fuel and the air, whereas a diffusion flame is not premixed and gets its oxygen (principally) by diffusion from the atmosphere around the flame. Simple gas-jet diffusion flames are often used for combustion studies because they embody the mechanisms operating in accidental fires and in practical combustion systems. However, most practical combustion is turbulent (i.e., with random flow vortices), which enhances the fuel/air mixing. These turbulent flames are not well understood because their random and transient nature complicates analysis. Normal gravity studies of turbulence in gas-jet diffusion flames can be impeded by buoyancy-induced instabilities. These gravitycaused instabilities, which are evident in the flickering of a candle flame in normal gravity, interfere with the study of turbulent gas-jet diffusion flames. By conducting experiments in microgravity, where buoyant instabilities are avoided, we at the NASA Lewis Research Center hope to improve our understanding of turbulent combustion. Ultimately, this could lead to improvements in combustor design, yielding higher efficiency and lower pollutant emissions. Gas-jet diffusion flames are often researched as model flames, because they embody mechanisms operating in both accidental fires and practical combustion systems (see the first figure). In normal gravity laboratory research, buoyant air flows, which are often negligible in practical situations, dominate the heat and mass transfer processes. Microgravity research studies, however, are not constrained by buoyant air flows, and new, unique information on the behavior of gas-jet diffusion flames has been obtained.

  11. Permeability estimation from NMR diffusion measurements in reservoir rocks.

    Science.gov (United States)

    Balzarini, M; Brancolini, A; Gossenberg, P

    1998-01-01

    It is well known that in restricted geometries, such as in porous media, the apparent diffusion coefficient (D) of the fluid depends on the observation time. From the time dependence of D, interesting information can be derived to characterise geometrical features of the porous media that are relevant in oil industry applications. In particular, the permeability can be related to the surface-to-volume ratio (S/V), estimated from the short time behaviour of D(t), and to the connectivity of the pore space, which is probed by the long time behaviour of D(t). The stimulated spin-echo pulse sequence, with pulsed magnetic field gradients, has been used to measure the diffusion coefficients on various homogeneous and heterogeneous sandstone samples. It is shown that the petrophysical parameters obtained by our measurements are in good agreement with those yielded by conventional laboratory techniques (gas permeability and electrical conductivity). Although the diffusing time is limited by T1, eventually preventing an observation of the real asymptotic behaviour, and the surface-to-volume ratio measured by nuclear magnetic resonance is different from the value obtained by BET because of the different length scales probed, the measurement remains reliable and low-time consuming.

  12. Visualization of gas flow and diffusion in porous media

    Science.gov (United States)

    Kaiser, Lana G.; Meersmann, Thomas; Logan, John W.; Pines, Alexander

    2000-01-01

    The transport of gases in porous materials is a crucial component of many important processes in science and technology. In the present work, we demonstrate how magnetic resonance microscopy with continuous flow laser-polarized noble gases makes it possible to “light up” and thereby visualize, with unprecedented sensitivity and resolution, the dynamics of gases in samples of silica aerogels and zeolite molecular sieve particles. The “polarization-weighted” images of gas transport in aerogel fragments are correlated to the diffusion coefficient of xenon obtained from NMR pulsed-field gradient experiments. The technique provides a unique means of studying the combined effects of flow and diffusion in systems with macroscopic dimensions and microscopic internal pore structure. PMID:10706617

  13. Diffusive gas transport through flooded rice systems

    NARCIS (Netherlands)

    Bodegom, van P.M.; Groot, T.; Hout, van de B.; Leffelaar, P.A.; Goudriaan, J.

    2001-01-01

    A fully mechanistic model based on diffusion equations for gas transport in a flooded rice system is presented. The model has transport descriptions for various compartments in the water-saturated soil and within the plant. Plant parameters were estimated from published data and experiments

  14. Diffusive gas transport through flooded rice systems

    Science.gov (United States)

    van Bodegom, P. M.; Groot, T.; van den Hout, B.; Leffelaar, P. A.; Goudriaan, J.

    2001-09-01

    A fully mechanistic model based on diffusion equations for gas transport in a flooded rice system is presented. The model has transport descriptions for various compartments in the water-saturated soil and within the plant. Plant parameters were estimated from published data and experiments independent of the validation experiment. An independent experiment is described in which the diffusion coefficient of sulfurhexafluoride (SF6) in water-saturated soil was determined. The model was validated by experiments in which transport of SF6 through soil and plant was monitored continuously by photoacoustics. The independent default settings could reasonably predict gas release dynamics in the soil-plant system. Calculated transmissivities and concentration gradients at the default settings show that transport within the soil was the most limiting step in this system, which explains why most gases are released via plant-mediated transport. The root-shoot interface represents the major resistance for gas transport within the plant. A sensitivity analysis of the model showed that gas transport in such a system is highly sensitive to the estimation of the diffusion coefficient of SF6, which helps to understand diel patterns found for greenhouse gas emissions, and to the root distribution with depth. This can be understood from the calculated transmissivities. The model is less sensitive to changes in the resistance at the root-shoot interface and in the root fraction active in gas exchange. The model thus provides an understanding of limiting steps in gas transport, but quantitative predictions of in situ gas transport rates will be difficult given the plasticity of root distribution.

  15. Simultaneous convection compensation and solvent suppression in biomolecular NMR diffusion experiments.

    Science.gov (United States)

    Zheng, Gang; Price, William S

    2009-11-01

    Thermal convection and high intensity solvent resonances can significantly hamper diffusion estimates in pulsed gradient spin-echo nuclear magnetic resonance diffusion experiments on biomolecule samples. To overcome these two problems, a new double functional NMR diffusion sequence, double echo PGSTE-WATERGATE, is presented. The new sequence provides excellent convection compensation and solvent suppression (with a suppression factor in excess of at least 10(5) in a single scan) in biomolecular NMR diffusion experiments. Due to its stimulated echo nature, the new sequence is much less susceptible to spin-spin relaxation than Hahn spin-echo based sequences. Furthermore, the new sequence is not susceptible to spin diffusion due to the application of bipolar pulsed gradients. The new sequence is also much easier to set up compared to previously developed stimulated echo based convection compensation and solvent suppression sequence. The utility of the new sequence is demonstrated on an aqueous lysozyme sample.

  16. Diffusion effects on volume-selective NMR at small length scales; Diffusionseffekte in volumenselektiver NMR auf kleinen Laengenskalen

    Energy Technology Data Exchange (ETDEWEB)

    Gaedke, Achim

    2009-01-21

    In this thesis, the interplay between diffusion and relaxation effects in spatially selective NMR experiments at short length scales is explored. This is especially relevant in the context of both conventional and mechanically detected MRI at (sub)micron resolution in biological specimens. Recent results on selectively excited very thin slices showed an in-slice-magnetization recovery orders of magnitude faster than the longitudinal relaxation time T1. However, those experiments were run on fully relaxed samples while MRI and especially mechanically detected NMR experiments are typically run in a periodic fashion with repetition times far below T1. The main purpose of this work therefore was to extend the study of the interplay between diffusion and longitudinal relaxation to periodic excitations. In some way, this is inverse phenomenon to the DESIRE (Diffusive Enhancement of SIgnal and REsolution) approach, proposed 1992 by Lauterbur. Experiments on periodically excited thin slices were carried out at a dedicated static field gradient cryomagnet with magnetic field gradients up to 180 T/m. In order to obtain plane slices, an appropriate isosurface of the gradient magnet had to be identified. It was found at a field of 3.8 T with a gradient of 73 T/m. In this field, slices down to a thickness of 3.2 {mu}m could be excited. The detection of the NMR signal was done using FIDs instead of echoes as the excitation bandwidth of those thin slices is sufficiently small to observe FIDs which are usually considered to be elusive to detection in such strong static field gradients. A simulation toolbox based on the full Bloch-Torrey-equation was developed to describe the excitation and the formation of NMR signals under those unusual conditions as well as the interplay of diffusion and magnetization recovery. Both the experiments and the simulations indicate that diffusion effects lead to a strongly enhanced magnetization modulation signal also under periodic excitation

  17. A magnetic gradient induced force in NMR restricted diffusion experiments

    Energy Technology Data Exchange (ETDEWEB)

    Ghadirian, Bahman; Stait-Gardner, Tim; Castillo, Reynaldo; Price, William S., E-mail: w.price@uws.edu.au [Nanoscale Organisation and Dynamics Group, University of Western Sydney, Penrith, NSW 2751 (Australia)

    2014-03-28

    We predict that the phase cancellation of a precessing magnetisation field carried by a diffusing species in a bounded geometry under certain nuclear magnetic resonance pulsed magnetic field gradient sequences results in a small force over typically micrometre length scales. Our calculations reveal that the total magnetisation energy in a pore under the influence of a pulsed gradient will be distance-dependent thus resulting in a force acting on the boundary. It is shown that this effect of the magnetisation of diffusing particles will appear as either an attractive or repulsive force depending on the geometry of the pore and magnetic properties of the material. A detailed analysis is performed for the case of a pulsed gradient spin-echo experiment on parallel planes. It is shown that the force decays exponentially in terms of the spin-spin relaxation. The proof is based on classical electrodynamics. An application of this effect to soft matter is suggested.

  18. A magnetic gradient induced force in NMR restricted diffusion experiments

    Science.gov (United States)

    Ghadirian, Bahman; Stait-Gardner, Tim; Castillo, Reynaldo; Price, William S.

    2014-03-01

    We predict that the phase cancellation of a precessing magnetisation field carried by a diffusing species in a bounded geometry under certain nuclear magnetic resonance pulsed magnetic field gradient sequences results in a small force over typically micrometre length scales. Our calculations reveal that the total magnetisation energy in a pore under the influence of a pulsed gradient will be distance-dependent thus resulting in a force acting on the boundary. It is shown that this effect of the magnetisation of diffusing particles will appear as either an attractive or repulsive force depending on the geometry of the pore and magnetic properties of the material. A detailed analysis is performed for the case of a pulsed gradient spin-echo experiment on parallel planes. It is shown that the force decays exponentially in terms of the spin-spin relaxation. The proof is based on classical electrodynamics. An application of this effect to soft matter is suggested.

  19. Conventions and nomenclature for double diffusion encoding NMR and MRI

    DEFF Research Database (Denmark)

    Shemesh, Noam; Jespersen, Sune N; Alexander, Daniel C

    2015-01-01

    remains inconsistent and disparate among groups active in DDE. Here, we present a consensus of those groups on terminology for DDE sequences and associated concepts. Furthermore, the regimes in which DDE metrics appear to provide microstructural information that cannot be achieved using more conventional...... counterparts (in a model-free fashion) are elucidated. We highlight in particular DDE's potential for determining microscopic diffusion anisotropy and microscopic fractional anisotropy, which offer metrics of microscopic features independent of orientation dispersion and thus provide information complementary...

  20. NMR and Chemometric Characterization of Vacuum Residues and Vacuum Gas Oils from Crude Oils of Different Origin

    Directory of Open Access Journals (Sweden)

    Jelena Parlov Vuković

    2015-03-01

    Full Text Available NMR spectroscopy in combination with statistical methods was used to study vacuum residues and vacuum gas oils from 32 crude oils of different origin. Two chemometric metodes were applied. Firstly, principal component analysis on complete spectra was used to perform classification of samples and clear distinction between vacuum residues and vacuum light and heavy gas oils were obtained. To quantitatively predict the composition of asphaltenes, principal component regression models using areas of resonance signals spaned by 11 frequency bins of the 1H NMR spectra were build. The first 5 principal components accounted for more than 94 % of variations in the input data set and coefficient of determination for correlation between measured and predicted values was R2 = 0.7421. Although this value is not significant, it shows the underlying linear dependence in the data. Pseudo two-dimensional DOSY NMR experiments were used to assess the composition and structural properties of asphaltenes in a selected crude oil and its vacuum residue on the basis of their different hydrodynamic behavior and translational diffusion coefficients. DOSY spectra showed the presence of several asphaltene aggregates differing in size and interactions they formed. The obtained results have shown that NMR techniques in combination with chemometrics are very useful to analyze vacuum residues and vacuum gas oils. Furthermore, we expect that our ongoing investigation of asphaltenes from crude oils of different origin will elucidate in more details composition, structure and properties of these complex molecular systems.

  1. Diffusion of lead in automobile exhaust gas

    Energy Technology Data Exchange (ETDEWEB)

    Yamaga, S.; Ohmori, K.; Saito, H.; Tanizaki, A.

    1970-01-01

    The pattern of diffusion of lead from automobile exhaust gas was investigated by studying the amount of lead adhering to or contained in leaves of ginkgo trees growing along less-travelled roads that cross a busy highway. Samples were dried at 100 C, then pulverized, and a definite portion wet-digested. After extraction by dithizone, lead was determined by atomic absorption spectrophotometry. The same routine was followed for surface soil at the root of the trees. Leaves at heights of 3 and 6 m were examined. At one of the two sampling sites, the lead content in surface soil tended to decrease with distance from the trunk highway. At both sites, the amount of lead in leaves was found in larger amounts in the leaves at the lower level. Also, those leaves collected in October contained more lead than those assembled earlier in the year.

  2. NMR

    International Nuclear Information System (INIS)

    Kneeland, J.B.; Lee, B.C.P.; Whalen, J.P.; Knowles, R.J.R.; Cahill, P.T.

    1984-01-01

    Although still quite new, NMR imaging has already emerged as a safe, noninvasive, painless, and effective diagnostic modality requiring no ionizing radiation. Also, NMR appears already to have established itself as the method of choice for the examination of the brain spinal cord (excluding herniated disks). Another area in which NMR excels is in the examination of the pelvis. The use of surface coils offers the promise of visualizing structures with resolution unobtainable by any other means. In addition, NMR, with its superb visualization of vascular structures and potential ability to measure flow, may soon revolutionize the diagnosis of cardiovascular disease. Finally, NMR, through biochemically and physiologically based T/sub 1/ and T/sub 2/ indices or through spectroscopy, may provide a means of monitoring therapeutic response so as to permit tailoring of treatment to the individual patient. In short, NMR is today probably at the same stage as the x-ray was in Roentgen's day

  3. Foam Based Gas Diffusion Electrodes for Reversible Alkaline Electrolysis Cells

    DEFF Research Database (Denmark)

    Allebrod, Frank; Chatzichristodoulou, Christodoulos; Mogensen, Mogens Bjerg

    2014-01-01

    to the gas diffusion electrodes. A dispersion with PTFE particles of a particle size of about 1 µm in combination with electro-catalysts, such as silver nanotubes, was used to coat the gas diffusion electrodes. Impedance spectroscopy and cyclic voltammetry measurements were performed to determine...... to increase the cell size from lab scale (1 cm2) to areas like 25 cm2....

  4. Foam Based Gas Diffusion Electrodes for Reversible Alkaline Electrolysis Cells

    DEFF Research Database (Denmark)

    Allebrod, Frank; Chatzichristodoulou, Christodoulos; Mogensen, Mogens Bjerg

    2014-01-01

    cell. In the present work we demonstrate the application of hydrophobic, porous, and electro-catalytically active gas diffusion electrodes. PTFE particles and silver nanowires as electro-catalysts were used in the gas diffusion electrodes. Impedance spectroscopy and cyclic voltammetry were performed...

  5. Foam Based Gas Diffusion Electrodes for Reversible Alkaline Electrolysis Cells

    DEFF Research Database (Denmark)

    Allebrod, Frank; Chatzichristodoulou, Christodoulos; Mogensen, Mogens Bjerg

    2014-01-01

    to the gas diffusion electrodes. A dispersion with PTFE particles of a particle size of about 1 µm in combination with electro-catalysts, such as silver nanotubes, was used to coat the gas diffusion electrodes. Impedance spectroscopy and cyclic voltammetry measurements were performed to determine...

  6. Diffusion effects on volume-selective NMR at small length scales

    International Nuclear Information System (INIS)

    Gaedke, Achim

    2009-01-01

    In this thesis, the interplay between diffusion and relaxation effects in spatially selective NMR experiments at short length scales is explored. This is especially relevant in the context of both conventional and mechanically detected MRI at (sub)micron resolution in biological specimens. Recent results on selectively excited very thin slices showed an in-slice-magnetization recovery orders of magnitude faster than the longitudinal relaxation time T1. However, those experiments were run on fully relaxed samples while MRI and especially mechanically detected NMR experiments are typically run in a periodic fashion with repetition times far below T1. The main purpose of this work therefore was to extend the study of the interplay between diffusion and longitudinal relaxation to periodic excitations. In some way, this is inverse phenomenon to the DESIRE (Diffusive Enhancement of SIgnal and REsolution) approach, proposed 1992 by Lauterbur. Experiments on periodically excited thin slices were carried out at a dedicated static field gradient cryomagnet with magnetic field gradients up to 180 T/m. In order to obtain plane slices, an appropriate isosurface of the gradient magnet had to be identified. It was found at a field of 3.8 T with a gradient of 73 T/m. In this field, slices down to a thickness of 3.2 μm could be excited. The detection of the NMR signal was done using FIDs instead of echoes as the excitation bandwidth of those thin slices is sufficiently small to observe FIDs which are usually considered to be elusive to detection in such strong static field gradients. A simulation toolbox based on the full Bloch-Torrey-equation was developed to describe the excitation and the formation of NMR signals under those unusual conditions as well as the interplay of diffusion and magnetization recovery. Both the experiments and the simulations indicate that diffusion effects lead to a strongly enhanced magnetization modulation signal also under periodic excitation

  7. Super-Diffusive Gas Recovery from Nanopores

    OpenAIRE

    Wu, Haiyi; He, Yadong; Qiao, Rui

    2016-01-01

    Understanding the recovery of gas from reservoirs featuring pervasive nanopores is essential for effective shale gas extraction. Classical theories cannot accurately predict such gas recovery and many experimental observations are not well understood. Here we report molecular simulations of the recovery of gas from single nanopores, explicitly taking into account molecular gas-wall interactions. We show that, in very narrow pores, the strong gas-wall interactions are essential in determining ...

  8. FLAMMABLE GAS DIFFUSION THROUGH SINGLE SHELL TANK (SST) DOMES

    Energy Technology Data Exchange (ETDEWEB)

    MEACHAM, J.E.

    2003-11-10

    This report quantified potential hydrogen diffusion through Hanford Site Single-Shell tank (SST) domes if the SSTs were hypothetically sealed airtight. Results showed that diffusion would keep headspace flammable gas concentrations below the lower flammability limit in the 241-AX and 241-SX SST. The purpose of this document is to quantify the amount of hydrogen that could diffuse through the domes of the SSTs if they were hypothetically sealed airtight. Diffusion is assumed to be the only mechanism available to reduce flammable gas concentrations. The scope of this report is limited to the 149 SSTs.

  9. Gas phase thermal diffusion of stable isotopes

    International Nuclear Information System (INIS)

    Eck, C.F.

    1979-01-01

    The separation of stable isotopes at Mound Facility is reviewed from a historical perspective. The historical development of thermal diffusion from a laboratory process to a separation facility that handles all the noble gases is described. In addition, elementary thermal diffusion theory and elementary cascade theory are presented along with a brief review of the uses of stable isotopes

  10. Coupled Gas-Liquid Diffusion in Porous Media Using the Dusty Gas Model

    Science.gov (United States)

    Webb, S. W.; Pruess, K.

    2001-12-01

    Numerous problems involve the simultaneous diffusion of chemical species in both aqueous and gaseous phases. Applications include diffusion of non-condensible gases including carbon sequestration, volatile organic compounds (VOCs), and chemicals from buried landmines. Diffusion in the unsaturated zone involves simultaneous transport in the aqueous and gaseous pathways. Calculation of diffusion in the individual phases is straightforward. However, for simultaneous diffusion in both phases, simply adding diffusive fluxes in gas and liquid phases will in general not be correct. Proper treatment of diffusion in multiphase conditions must take into account the coupling between diffusion and phase partitioning. Coupled gas-liquid diffusion was previously considered using Fick's law for both aqueous and gaseous diffusion. The diffusive strength term was harmonically weighted at the interface to enforce mass conservation. Results showed that the coupling effects are significant, and that uncoupled results can seriously underestimate diffusion across a capillary fringe. In the present work, the Dusty Gas Model (DGM) has been used to model gas diffusion. The DGM is a more fundamentally sound model for gas diffusion than Fick's law. However, the formulation of multiphase diffusion coupled with gas-liquid phase partitioning becomes considerably more complicated, and mass conservation must be explicitly imposed on each component through solution for the appropriate interface conditions. For higher permeability and trace gas conditions, the two models (Fick's law and DGM) give similar results as expected. However, for lower permeability media and non-trace gas conditions, significant differences exist. This work was supported by the U.S Department of Energy under Contracts No. DE-AC04-94AL85000 and DE-AC03-76SF00098.

  11. Permeability in Rotliegend gas sandstones to gas and brine as predicted from NMR, mercury injection and image analysis

    DEFF Research Database (Denmark)

    Rosenbrand, Esther; Fabricius, Ida Lykke; Fisher, Quentin

    2015-01-01

    Permeability characterisation of low permeability, clay-rich gas sandstones is part of production forecasting and reservoir management. The physically based Kozeny (1927) equation linking permeability with porosity and pore size is derived for a porous medium with a homogeneous pore size, whereas...... the pore sizes in tight sandstones can range from nm to μm. Nuclear magnetic resonance (NMR) transverse relaxation was used to estimate a pore size distribution for 63 samples of Rotliegend sandstone. The surface relaxation parameter required to relate NMR to pore size is estimated by combination of NMR...... and mercury injection data. To estimate which pores control permeability to gas, gas permeability was calculated for each pore size increment by using the Kozeny equation. Permeability to brine is modelled by assuming a bound water layer on the mineral pore interface. The measured brine permeabilities...

  12. Estimation of diffusion coefficients in bitumen solvent mixtures as derived from low field NMR spectra

    International Nuclear Information System (INIS)

    Wen, Y.; Bryan, J.; Kantzas, A.

    2005-01-01

    Use of solvents for the extraction of heavy oil and bitumen appears to be an increasingly feasible technology. Both vapour extraction and direct solvent injection are considered for conventional exploration and production schemes, while solvent dilution of bitumen is a standard technique in oil sands mining. Mass transfer between solvent and bitumen is a poorly understood process. In some cases, it is totally ignored compared to viscous force effects. In other cases, phenomenological estimations of diffusion and dispersion coefficients are used. Low field NMR has been used successfully in determining both solvent content and viscosity reduction in heavy oil and bitumen mixtures with various solvents. As a solvent comes into contact with a heavy oil or bitumen sample, the mobility of hydrogen bearing molecules of both solvent and oil changes. These changes are detectable through changes in the NMR relaxation characteristics of both solvent and oil. Relaxation changes can then be correlated to mass flux and concentration changes. Based on Fick's Second Law, a diffusion coefficient, which is independent of concentration, was calculated against three oils and six solvents. (author)

  13. Structure and composition analysis of natural gas hydrates: 13C NMR spectroscopic and gas uptake measurements of mixed gas hydrates.

    Science.gov (United States)

    Seo, Yutaek; Kang, Seong-Pil; Jang, Wonho

    2009-09-03

    Gas hydrates are becoming an attractive way of storing and transporting large quantities of natural gas, although there has been little effort to understand the preferential occupation of heavy hydrocarbon molecules in hydrate cages. In this work, we present the formation kinetics of mixed hydrate based on a gas uptake measurement during hydrate formation, and how the compositions of the hydrate phase are varied under corresponding formation conditions. We also examine the effect of silica gel pores on the physical properties of mixed hydrate, including thermodynamic equilibrium, formation kinetics, and hydrate compositions. It is expected that the enclathration of ethane and propane is faster than that of methane early stage hydrate formation, and later methane becomes the dominant component to be enclathrated due to depletion of heavy hydrocarbons in the vapor phase. The composition of the hydrate phase seems to be affected by the consumed amount of natural gas, which results in a variation of heating value of retrieved gas from mixed hydrates as a function of formation temperature. 13C NMR experiments were used to measure the distribution of hydrocarbon molecules over the cages of hydrate structure when it forms either from bulk water or water in silica gel pores. We confirm that 70% of large cages of mixed hydrate are occupied by methane molecules when it forms from bulk water; however, only 19% of large cages of mixed hydrate are occupied by methane molecules when it forms from water in silica gel pores. This result indicates that the fractionation of the hydrate phase with heavy hydrocarbon molecules is enhanced in silica gel pores. In addition when heavy hydrocarbon molecules are depleted in the vapor phase during the formation of mixed hydrate, structure I methane hydrate forms instead of structure II mixed hydrate and both structures coexist together, which is also confirmed by 13C NMR spectroscopic analysis.

  14. Bulk diffusion in a kinetically constrained lattice gas

    Science.gov (United States)

    Arita, Chikashi; Krapivsky, P. L.; Mallick, Kirone

    2018-03-01

    In the hydrodynamic regime, the evolution of a stochastic lattice gas with symmetric hopping rules is described by a diffusion equation with density-dependent diffusion coefficient encapsulating all microscopic details of the dynamics. This diffusion coefficient is, in principle, determined by a Green–Kubo formula. In practice, even when the equilibrium properties of a lattice gas are analytically known, the diffusion coefficient cannot be computed except when a lattice gas additionally satisfies the gradient condition. We develop a procedure to systematically obtain analytical approximations for the diffusion coefficient for non-gradient lattice gases with known equilibrium. The method relies on a variational formula found by Varadhan and Spohn which is a version of the Green–Kubo formula particularly suitable for diffusive lattice gases. Restricting the variational formula to finite-dimensional sub-spaces allows one to perform the minimization and gives upper bounds for the diffusion coefficient. We apply this approach to a kinetically constrained non-gradient lattice gas in two dimensions, viz. to the Kob–Andersen model on the square lattice.

  15. Diffusion and spatially resolved NMR in Berea and Venezuelan oil reservoir rocks.

    Science.gov (United States)

    Murgich, J; Corti, M; Pavesi, L; Voltini, F

    1992-01-01

    Conventional and spatially resolved proton NMR and relaxation measurements are used in order to study the molecular motions and the equilibrium and nonequilibrium diffusion of oils in Berea sandstone and Venezuelan reservoir rocks. In the water-saturated Berea a single line with T*2 congruent to 150 microseconds is observed, while the relaxation recovery is multiexponential. In an oil reservoir rock (Ful 13) a single narrow line is present while a distribution of relaxation rates is evidenced from the recovery plots. On the contrary, in the Ful 7 sample (extracted at a deeper depth in a different zone) two NMR components are present, with 3.5 and 30 KHz linewidths, and the recovery plot exhibits biexponential law. No echo signal could be reconstructed in the oil reservoir rocks. These findings can be related to the effects in the micropores, where motions at very low frequency can occur in a thin layer. From a comparison of the diffusion constant in water-saturated Berea, D congruent to 5*10(-6) cm2/sec, with the ones in model systems, the average size of the pores is estimated around 40 A. The density profiles at the equilibrium show uniform distribution of oils or of water, and the relaxation rates appear independent from the selected slice. The nonequilibrium diffusion was studied as a function of time in a Berea cylinder with z axis along H0, starting from a thin layer of oil at the base, and detecting the spin density profiles d(z,t) with slice-selection techniques. Simultaneously, the values of T1's were measured locally, and the distribution of the relaxation rates was observed to be present in any slice.(ABSTRACT TRUNCATED AT 250 WORDS)

  16. Apparatus for preparing a solution of a hyperpolarized noble gas for NMR and MRI analysis

    Science.gov (United States)

    Pines, Alexander [Berkeley, CA; Budinger, Thomas [Berkeley, CA; Navon, Gil [Ramat Gan, IL; Song, Yi-Qiao [Berkeley, CA; Appelt, Stephan [Waiblingen, DE; Bifone, Angelo [Rome, IT; Taylor, Rebecca [Berkeley, CA; Goodson, Boyd [Berkeley, CA; Seydoux, Roberto [Berkeley, CA; Room, Toomas [Albany, CA; Pietrass, Tanja [Socorro, NM

    2008-06-10

    The present invention relates generally to nuclear magnetic resonance (NMR) techniques for both spectroscopy and imaging. More particularly, the present invention relates to methods in which hyperpolarized noble gases (e.g., Xe and He) are used to enhance and improve NMR and MRI. Additionally, the hyperpolarized gas solutions of the invention are useful both in vitro and in vivo to study the dynamics or structure of a system. When used with biological systems, either in vivo or in vitro, it is within the scope of the invention to target the hyperpolarized gas and deliver it to specific regions within the system.

  17. A general framework to quantify the effect of restricted diffusion on the NMR signal with applications to double pulsed field gradient NMR experiments.

    Science.gov (United States)

    Ozarslan, Evren; Shemesh, Noam; Basser, Peter J

    2009-03-14

    Based on a description introduced by Robertson, Grebenkov recently introduced a powerful formalism to represent the diffusion-attenuated NMR signal for simple pore geometries such as slabs, cylinders, and spheres analytically. In this work, we extend this multiple correlation function formalism by allowing for possible variations in the direction of the magnetic field gradient waveform. This extension is necessary, for example, to incorporate the effects of imaging gradients in diffusion-weighted NMR imaging scans and in characterizing anisotropy at different length scales via double pulsed field gradient (PFG) experiments. In cylindrical and spherical pores, respectively, two- and three-dimensional vector operators are employed whose form is deduced from Grebenkov's results via elementary operator algebra for the case of cylinders and the Wigner-Eckart theorem for the case of spheres. The theory was validated by comparison with known findings and with experimental double-PFG data obtained from water-filled microcapillaries.

  18. A general framework to quantify the effect of restricted diffusion on the NMR signal with applications to double pulsed field gradient NMR experiments

    Science.gov (United States)

    Özarslan, Evren; Shemesh, Noam; Basser, Peter J.

    2009-03-01

    Based on a description introduced by Robertson, Grebenkov recently introduced a powerful formalism to represent the diffusion-attenuated NMR signal for simple pore geometries such as slabs, cylinders, and spheres analytically. In this work, we extend this multiple correlation function formalism by allowing for possible variations in the direction of the magnetic field gradient waveform. This extension is necessary, for example, to incorporate the effects of imaging gradients in diffusion-weighted NMR imaging scans and in characterizing anisotropy at different length scales via double pulsed field gradient (PFG) experiments. In cylindrical and spherical pores, respectively, two- and three-dimensional vector operators are employed whose form is deduced from Grebenkov's results via elementary operator algebra for the case of cylinders and the Wigner-Eckart theorem for the case of spheres. The theory was validated by comparison with known findings and with experimental double-PFG data obtained from water-filled microcapillaries.

  19. Structure and Permeability of Porous Silicon Investigated by Self-Diffusion NMR Measurements of Ethanol and Heptane

    Directory of Open Access Journals (Sweden)

    Puibasset J.

    2016-07-01

    Full Text Available The adsorption and phase transitions of confined fluids in nanoporous materials have been studied intensely because of both their fundamental interest and their crucial role in many technologies. Questions relating to the influence of the confinement of fluids, and the disorder or elastic deformation of porous solids on the liquid-gas phase transition are still under debate. Model systems are needed to understand the adsorption phenomenon. In this context, Porous Silicon (PoSi, which is a single crystal obtained by etching a (100 silicon wafer is an excellent candidate. Indeed, it consists of non-connected tubular pores running parallel to the [100] axis perpendicular to the wafer surface, with transverse sections with a polygonal shape of nanometric size whose areas are widely distributed. Once detached from the wafer, free PoSi membranes can be considered a nanoscale disordered honeycomb. Adsorption/desorption experiments have been performed to characterize the structure: they have shown that evaporation occurs collectively, an intriguing observation generally associated with a disordered pore structure with many interconnections through narrow necks. The characterization of fluid mobility inside the pores should give complementary information about the pore structure and topology. This paper focuses on the dynamics of a fluid confined inside the structure of porous silicon, and in particular the self-diffusion measurements (pulsed field gradient spin echo Nuclear Magnetic Resonance (NMR. The results show a strong anisotropy of the self-diffusion tensor, as expected in this highly anisotropic structure. However, a non-zero self-diffusion in the directions perpendicular to the pore axis is observed. In order to interpret these puzzling results, molecular and Brownian dynamics calculations are underway.

  20. The CO Transition from Diffuse Molecular Gas to Dense Clouds

    Science.gov (United States)

    Rice, Johnathan S.; Federman, Steven

    2017-06-01

    The atomic to molecular transitions occurring in diffuse interstellar gas surrounding molecular clouds are affected by the local physical conditions (density and temperature) and the radiation field penetrating the material. Our optical observations of CH, CH^{+}, and CN absorption from McDonald Observatory and the European Southern Observatory are useful tracers of this gas and provide the velocity structure needed for analyzing lower resolution ultraviolet observations of CO and H_{2} absorption from Far Ultraviolet Spectroscopic Explorer. We explore the changing environment between diffuse and dense gas by using the column densities and excitation temperatures from CO and H_{2} to determine the gas density. The resulting gas densities from this method are compared to densities inferred from other methods such as C_{2} and CN chemistry. The densities allow us to interpret the trends from the combined set of tracers. Groupings of sight lines, such as those toward h and χ Persei or Chameleon provide a chance for further characterization of the environment. The Chameleon region in particular helps illuminate CO-dark gas, which is not associated with emission from H I at 21 cm or from CO at 2.6 mm. Expanding this analysis to include emission data from the GOT C+ survey allows the further characterization of neutral diffuse gas, including CO-dark gas.

  1. Gas Sorption, Diffusion, and Permeation in Nafion

    KAUST Repository

    Mukaddam, Mohsin Ahmed

    2015-12-22

    The gas permeability of dry Nafion films was determined at 2 atm and 35 °C for He, H2, N2, O2, CO2, CH4, C2H6, and C3H8. In addition, gas sorption isotherms were determined by gravimetric and barometric techniques as a function of pressure up to 20 atm. Nafion exhibited linear sorption uptake for low-solubility gases, following Henry’s law, and convex behavior for highly sorbing condensable gases, indicating rubber-like behavior at 35 °C. XRD results demonstrated that Nafion contains bimodal amorphous chain domains with average d-spacing values of 2.3 and 5.3 Å. Only helium and hydrogen showed relatively high gas permeability of 37 and 7 barrers, respectively; all other gases exhibited low permeability that decreased significantly as penetrant size increased. Dry Nafion was characterized by extraordinarily high selectivities: He/H2 = 5.2, He/CH4 = 445, He/C2H6 = 1275, He/C3H8 = 7400, CO2/CH4 = 28, CO2/C2H6 = 79, CO2/C3H8 = 460, H2/CH4 = 84, H2/C2H6 = 241, and H2/C3H8 = 1400. These high selectivities could make Nafion a potential candidate membrane material for dry feeds for helium recovery and carbon dioxide separation from natural gas and removal of higher hydrocarbons from hydrogen-containing refinery gases.

  2. NMR diffusion and relaxation studies of 2-nitroimidazole and albumin interactions

    Science.gov (United States)

    Wijesekera, Dj; Willis, Scott A.; Gupta, Abhishek; Torres, Allan M.; Zheng, Gang; Price, William S.

    2018-03-01

    Nitroimidazole derivatives are of current interest in the development of hypoxia targeting agents and show potential in the establishment of quantitative measures of tumor hypoxia. In this study, the binding of 2-nitroimidazole to albumin was probed using NMR diffusion and relaxation measurements. Binding studies were conducted at three different protein concentrations (0.23, 0.30 and 0.38 mM) with drug concentrations ranging from 0.005-0.16 M at 298 K. Quantitative assessments of the binding model were made by evaluating the number of binding sites, n, and association constant, K. These were determined to be 21 ± 3 and 53 ± 4 M- 1, respectively.

  3. NMR diffusion and relaxation measurements of organic molecules adsorbed in porous media

    International Nuclear Information System (INIS)

    Gjerdaaker, Lars

    2002-01-01

    The work in this thesis can be divided into two parts. The first part is focused on dynamic investigations of plastic crystals, both in bulk phases but also confined in porous materials (paper 1-3). This part was done together with professor Liudvikas Kimtys, Vilnius, Lithuania. The second part, with emphasis on diffusion, employed PFG NMR to measure the true intra-crystalline diffusivity, including development of a new pulse sequence with shorter effective diffusion time. This work was performed in collaboration with Dr. Geir H. Soerland, Trondheim, Norway and has resulted in three papers (paper 4-6). Paper 1-3: In these papers the dynamics of three organic compounds confined within mesoporous silica have been studied, and the results are discussed with reference to the bulk material. The three investigated compounds form disordered (plastic) phases of high symmetry on solidification (solid I). Thus, bulk cyclohexane exhibits a disordered phase between the solid-solid phase transition at 186 K and the melting point at 280 K. X-ray diffraction measurements have shown that solid I is face-centred cubic (Z=4, a=0.861 nm at 195 K), while the ordered solid II is monoclinic. Tert-butyl cyanide exhibits a plastic phase between the solid-solid transition point at 233 K and the melting point at 292 K. Neutron scattering techniques have established that solid I is tetragonal (Z=2, a=b=0.683 nm, c=0.674 nm, beta=90 deg at 234 K), while solid II is monoclinic. Finally, the disordered phase of pivalic acid melts at 310 K and undergoes a solid-solid phase transition at 280 K. The disordered phase is face-centred cubic, (Z=4, a=0.887 nm), while the low temperature phase (solid II) is triclinic. Paper 4-6; If one is aiming to measure true intra-crystallite diffusivities in porous media the distance travelled by the molecules during the pulse must be shorter than the size of the crystallite. The length of the diffusion time is therefore important. Working with heterogeneous media

  4. Quantitative measurement of water diffusion lifetimes at a protein/DNA interface by NMR

    International Nuclear Information System (INIS)

    Gruschus, James M.; Ferretti, James A.

    2001-01-01

    Hydration site lifetimes of slowly diffusing water molecules at the protein/DNA interface of the vnd/NK-2 homeodomain DNA complex were determined using novel three-dimensional NMR techniques. The lifetimes were calculated using the ratios of ROE and NOE cross-relaxation rates between the water and the protein backbone and side chain amides. This calculation of the lifetimes is based on a model of the spectral density function of the water-protein interaction consisting of three timescales of motion: fast vibrational/rotational motion, diffusion into/out of the hydration site, and overall macromolecular tumbling. The lifetimes measured ranged from approximately 400 ps to more than 5 ns, and nearly all the slowly diffusing water molecules detected lie at the protein/DNA interface. A quantitative analysis of relayed water cross-relaxation indicated that even at very short mixing times, 5 ms for ROESY and 12 ms for NOESY, relay of magnetization can make a small but detectable contribution to the measured rates. The temperature dependences of the NOE rates were measured to help discriminate direct dipolar cross-relaxation from chemical exchange. Comparison with several X-ray structures of homeodomain/DNA complexes reveals a strong correspondence between water molecules in conserved locations and the slowly diffusing water molecules detected by NMR. A homology model based on the X-ray structures was created to visualize the conserved water molecules detected at the vnd/NK-2 homeodomain DNA interface. Two chains of water molecules are seen at the right and left sides of the major groove, adjacent to the third helix of the homeodomain. Two water-mediated hydrogen bond bridges spanning the protein/DNA interface are present in the model, one between the backbone of Phe8 and a DNA phosphate, and one between the side chain of Asn51 and a DNA phosphate. The hydrogen bond bridge between Asn51 and the DNA might be especially important since the DNA contact made by the invariant

  5. Radiation energy devaluation in diffusion combusting flows of natural gas

    International Nuclear Information System (INIS)

    Makhanlall, Deodat; Munda, Josiah L.; Jiang, Peixue

    2013-01-01

    Abstract: CFD (Computational fluid dynamics) is used to evaluate the thermodynamic second-law effects of thermal radiation in turbulent diffusion natural gas flames. Radiative heat transfer processes in gas and at solid walls are identified as important causes of energy devaluation in the combusting flows. The thermodynamic role of thermal radiation cannot be neglected when compared to that of heat conduction and convection, mass diffusion, chemical reactions, and viscous dissipation. An energy devaluation number is also defined, with which the optimum fuel–air equivalence for combusting flows can be determined. The optimum fuel–air equivalence ratio for a natural gas flame is determined to be 0.7. The CFD model is validated against experimental measurements. - Highlights: • Thermodynamic effects of thermal radiation in combusting flows analyzed. • General equation for second-law analyses of combusting flows extended. • Optimum fuel–air equivalence ratio determined for natural gas flame

  6. Applications of NMR diffusion methods with emphasis on ion pairing in inorganic chemistry: a mini-review.

    Science.gov (United States)

    Pregosin, Paul S

    2017-05-01

    This mini-review provides a brief overview of the use of NMR diffusion methods in connection with estimating molecular weights in solution, recognizing hydrogen bonding and encapsulation processes and, primarily, identifying and estimating the varying degrees of ion pairing. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

  7. PFG NMR Study of Liquid n-Hexane Self-Diffusion in the Bed of Porous Glass Beads

    Czech Academy of Sciences Publication Activity Database

    Peksa, M.; Lang, J.; Kočiřík, Milan

    2009-01-01

    Roč. 11, č. 36 (2009), s. 1-2 ISSN 1862-4138 R&D Projects: GA ČR GA203/09/1353 Institutional research plan: CEZ:AV0Z40400503 Keywords : PFG NMR Study * porous glass beads Subject RIV: CF - Physical ; Theoretical Chemistry http://www.uni-leipzig.de/diffusion/journal/index.html

  8. Lithological control on gas hydrate saturation as revealed by signal classification of NMR logging data

    Science.gov (United States)

    Bauer, Klaus; Kulenkampff, Johannes; Henninges, Jan; Spangenberg, Erik

    2015-09-01

    In this paper, nuclear magnetic resonance (NMR) downhole logging data are analyzed with a new strategy to study gas hydrate-bearing sediments in the Mackenzie Delta (NW Canada). In NMR logging, transverse relaxation time (T2) distribution curves are usually used to determine single-valued parameters such as apparent total porosity or hydrocarbon saturation. Our approach analyzes the entire T2 distribution curves as quasi-continuous signals to characterize the rock formation. We apply self-organizing maps, a neural network clustering technique, to subdivide the data set of NMR curves into classes with a similar and distinctive signal shape. The method includes (1) preparation of data vectors, (2) unsupervised learning, (3) cluster definition, and (4) classification and depth mapping of all NMR signals. Each signal class thus represents a specific pore size distribution which can be interpreted in terms of distinct lithologies and reservoir types. A key step in the interpretation strategy is to reconcile the NMR classes with other log data not considered in the clustering analysis, such as gamma ray, hydrate saturation, and other logs. Our results defined six main lithologies within the target zone. Gas hydrate layers were recognized by their low signal amplitudes for all relaxation times. Most importantly, two subtypes of hydrate-bearing shaly sands were identified. They show distinct NMR signals and differ in hydrate saturation and gamma ray values. An inverse linear relationship between hydrate saturation and clay content was concluded. Finally, we infer that the gas hydrate is not grain coating, but rather, pore filling with matrix support is the preferred growth habit model for the studied formation.

  9. Test Program for High Efficiency Gas Turbine Exhaust Diffuser

    Energy Technology Data Exchange (ETDEWEB)

    Norris, Thomas R.

    2009-12-31

    This research relates to improving the efficiency of flow in a turbine exhaust, and thus, that of the turbine and power plant. The Phase I SBIR project demonstrated the technical viability of “strutlets” to control stalls on a model diffuser strut. Strutlets are a novel flow-improving vane concept intended to improve the efficiency of flow in turbine exhausts. Strutlets can help reduce turbine back pressure, and incrementally improve turbine efficiency, increase power, and reduce greenhouse gas emmission. The long-term goal is a 0.5 percent improvement of each item, averaged over the US gas turbine fleet. The strutlets were tested in a physical scale model of a gas turbine exhaust diffuser. The test flow passage is a straight, annular diffuser with three sets of struts. At the end of Phase 1, the ability of strutlets to keep flow attached to struts was demonstrated, but the strutlet drag was too high for a net efficiency advantage. An independently sponsored followup project did develop a highly-modified low-drag strutlet. In combination with other flow improving vanes, complicance to the stated goals was demonstrated for for simple cycle power plants, and to most of the goals for combined cycle power plants using this particular exhaust geometry. Importantly, low frequency diffuser noise was reduced by 5 dB or more, compared to the baseline. Appolicability to other diffuser geometries is yet to be demonstrated.

  10. Diffusion probe for gas sampling in undisturbed soil

    DEFF Research Database (Denmark)

    Petersen, Søren O

    2014-01-01

    controls. This note describes a simple and robust diffusion probe for soil gas sampling as part of flux monitoring programs. It can be deployed with minimum disturbance of in-situ conditions, also at sites with a high or fluctuating water table. Separate probes are used for each sampling depth......Soil-atmosphere fluxes of trace gases such as methane (CH4) and nitrous oxide (N2O) are determined by complex interactions between biological activity and soil conditions. Soil gas concentration profiles may, in combination with other information about soil conditions, help to understand emission......, in this study ranging from 5 to 100 cm. The probe has a 10 ml diffusion cell with a 3-mm diameter opening covered by a 0.5 mm silicone membrane. At sampling the diffusion cell is flushed with 10 ml N2 containing 50 µl l-1 ethylene (C2H4) as a tracer; tracer recovery is used to calculate sample concentrations...

  11. Modification of TOUGH2 to Include the Dusty Gas Model for Gas Diffusion; TOPICAL

    International Nuclear Information System (INIS)

    WEBB, STEPHEN W.

    2001-01-01

    The GEO-SEQ Project is investigating methods for geological sequestration of CO(sub 2). This project, which is directed by LBNL and includes a number of other industrial, university, and national laboratory partners, is evaluating computer simulation methods including TOUGH2 for this problem. The TOUGH2 code, which is a widely used code for flow and transport in porous and fractured media, includes simplified methods for gas diffusion based on a direct application of Fick's law. As shown by Webb (1998) and others, the Dusty Gas Model (DGM) is better than Fick's Law for modeling gas-phase diffusion in porous media. In order to improve gas-phase diffusion modeling for the GEO-SEQ Project, the EOS7R module in the TOUGH2 code has been modified to include the Dusty Gas Model as documented in this report. In addition, the liquid diffusion model has been changed from a mass-based formulation to a mole-based model. Modifications for separate and coupled diffusion in the gas and liquid phases have also been completed. The results from the DGM are compared to the Fick's law behavior for TCE and PCE diffusion across a capillary fringe. The differences are small due to the relatively high permeability (k= 10(sup -11) m(sup 2)) of the problem and the small mole fraction of the gases. Additional comparisons for lower permeabilities and higher mole fractions may be useful

  12. Pressure recovery in a diffuser for gas centrifuge

    International Nuclear Information System (INIS)

    Hanzawa, Masatoshi; Takashima, Yoichi; Mikami, Hisashi

    1977-01-01

    The pressure recovery of supersonic flow at very low density was studied in a vane-island type diffuser for gas centrifuge. A tester of diffuser with a rapidly rotating cylinder was used in experiments. Wall static pressures were measured at many points in the diffuser to observe the static pressure distribution. The change of pressure distribution with back pressure and the effect of flow rate were investigated. Pressure distribution showed that the pressure recovery occurred in the converging section. The pressure ratio increased linearly with the back pressure in this experimental range and the effect of flow rate was not observed. A numerical analysis of the pressure recovery in the channel section of the diffuser was made by applying the finite difference method to the slender-channel equations. The pressure distribution obtained in experiments could be explained as a result of supersonic compression with reverse flow. (auth.)

  13. Temperature-Dependent Oxygen Effect on NMR D-[Formula: see text] Relaxation-Diffusion Correlation of n-Alkanes.

    Science.gov (United States)

    Shikhov, Igor; Arns, Christoph H

    2016-01-01

    Nuclear magnetic resonance (NMR) diffusion-relaxation correlation experiments ( D -[Formula: see text]) are widely used for the petrophysical characterisation of rocks saturated with petroleum fluids both in situ and for laboratory analyses. The encoding for both diffusion and relaxation offers increased fluid typing contrast by discriminating fluids based on their self-diffusion coefficients, while relaxation times provide information about the interaction of solid and fluid phases and associated confinement geometry (if NMR responses of pure fluids at particular temperature and pressure are known). Petrophysical interpretation of D -[Formula: see text] correlation maps is typically assisted by the "standard alkane line"-a relaxation-diffusion correlation valid for pure normal alkanes and their mixtures in the absence of restrictions to diffusing molecules and effects of internal gradients. This correlation assumes fluids are free from paramagnetic impurities. In situations where fluid samples cannot be maintained at air-free state the diffusion-relaxation response of fluids shift towards shorter relaxation times due to oxygen paramagnetic relaxation enhancement. Interpretation of such a response using the "standard alkane line" would be erroneous and is further complicated by the temperature-dependence of oxygen solubility for each component of the alkane mixture. We propose a diffusion-relaxation correlation suitable for interpretation of low-field NMR D -[Formula: see text] responses of normal alkanes and their mixtures saturating rocks over a broad temperature range, in equilibrium with atmospheric air. We review and where necessary revise existing viscosity-relaxation correlations. Findings are applied to diffusion-relaxation dependencies taking into account the temperature dependence of oxygen solubility and solvent vapour pressure. The effect is demonstrated on a partially saturated carbonate rock.

  14. Bulk and surface controlled diffusion of fission gas atoms

    Energy Technology Data Exchange (ETDEWEB)

    Andersson, Anders D. [Los Alamos National Laboratory

    2012-08-09

    Fission gas retention and release impact nuclear fuel performance by, e.g., causing fuel swelling leading to mechanical interaction with the clad, increasing the plenum pressure and reducing the gap thermal conductivity. All of these processes are important to understand in order to optimize operating conditions of nuclear reactors and to simulate accident scenarios. Most fission gases have low solubility in the fuel matrix, which is especially pronounced for large fission gas atoms such as Xe and Kr, and as a result there is a significant driving force for segregation of gas atoms to extended defects such as grain boundaries or dislocations and subsequently for nucleation of gas bubbles at these sinks. Several empirical or semi-empirical models have been developed for fission gas release in nuclear fuels, e.g. [1-6]. One of the most commonly used models in fuel performance codes was published by Massih and Forsberg [3,4,6]. This model is similar to the early Booth model [1] in that it applies an equivalent sphere to separate bulk UO{sub 2} from grain boundaries represented by the sphere circumference. Compared to the Booth model, it also captures trapping at grain boundaries, fission gas resolution and it describes release from the boundary by applying timedependent boundary conditions to the circumference. In this work we focus on the step where fission gas atoms diffuse from the grain interior to the grain boundaries. The original Massih-Forsberg model describes this process by applying an effective diffusivity divided into three temperature regimes. In this report we present results from density functional theory calculations (DFT) that are relevant for the high (D{sub 3}) and intermediate (D{sub 2}) temperature diffusivities of fission gases. The results are validated by making a quantitative comparison to Turnbull's [8-10] and Matzke's data [12]. For the intrinsic or high temperature regime we report activation energies for both Xe and Kr diffusion

  15. Gas diffusion and temperature dependence of bubble nucleation during irradiation

    DEFF Research Database (Denmark)

    Foreman, A. J. E.; Singh, Bachu Narain

    1986-01-01

    The continuous production of gases at relatively high rates under fusion irradiation conditions may enhance the nucleation of cavities. This can cause dimensional changes and could induce embrittlement arising from gas accumulation on grain boundaries. Computer calculations have been made...... of the diatomic nucleation of helium bubbles, assuming helium to diffuse substitutionally, with radiation-enhanced diffusion at lower temperatures. The calculated temperature dependence of the bubble density shows excellent agreement with that observed in 600 MeV proton irradiations, including a reduction...

  16. Gas diffusion and temperature dependence of bubble nucleation during irradiation

    DEFF Research Database (Denmark)

    Foreman, A. J. E.; Singh, Bachu Narain

    1986-01-01

    of the diatomic nucleation of helium bubbles, assuming helium to diffuse substitutionally, with radiation-enhanced diffusion at lower temperatures. The calculated temperature dependence of the bubble density shows excellent agreement with that observed in 600 MeV proton irradiations, including a reduction...... in activation energy below Tm/2. The coalescence of diatomic nuclei due to Brownian motion markedly improves the agreement and also provides a well-defined terminal density. Bubble nucleation by this mechanism is sufficiently fast to inhibit any appreciable initial loss of gas to grain boundaries during...

  17. Scaling exponent and dispersity of polymers in solution by diffusion NMR.

    Science.gov (United States)

    Williamson, Nathan H; Röding, Magnus; Miklavcic, Stanley J; Nydén, Magnus

    2017-05-01

    Molecular mass distribution measurements by pulsed gradient spin echo nuclear magnetic resonance (PGSE NMR) spectroscopy currently require prior knowledge of scaling parameters to convert from polymer self-diffusion coefficient to molecular mass. Reversing the problem, we utilize the scaling relation as prior knowledge to uncover the scaling exponent from within the PGSE data. Thus, the scaling exponent-a measure of polymer conformation and solvent quality-and the dispersity (M w /M n ) are obtainable from one simple PGSE experiment. The method utilizes constraints and parametric distribution models in a two-step fitting routine involving first the mass-weighted signal and second the number-weighted signal. The method is developed using lognormal and gamma distribution models and tested on experimental PGSE attenuation of the terminal methylene signal and on the sum of all methylene signals of polyethylene glycol in D 2 O. Scaling exponent and dispersity estimates agree with known values in the majority of instances, leading to the potential application of the method to polymers for which characterization is not possible with alternative techniques. Copyright © 2017 Elsevier Inc. All rights reserved.

  18. Diffuse X-Ray-emitting Gas in Major Mergers

    Science.gov (United States)

    Smith, Beverly J.; Campbell, Kristen; Struck, Curtis; Soria, Roberto; Swartz, Douglas; Magno, Macon; Dunn, Brianne; Giroux, Mark L.

    2018-02-01

    Using archived data from the Chandra X-ray telescope, we have extracted the diffuse X-ray emission from 49 equal-mass interacting/merging galaxy pairs in a merger sequence, from widely separated pairs to merger remnants. After the removal of contributions from unresolved point sources, we compared the diffuse thermal X-ray luminosity from hot gas (L X(gas)) with the global star formation rate (SFR). After correction for absorption within the target galaxy, we do not see a strong trend of L X(gas)/SFR with the SFR or merger stage for galaxies with SFR > 1 M ⊙ yr‑1. For these galaxies, the median L X(gas)/SFR is 5.5 × 1039 ((erg s‑1)/M ⊙ yr‑1)), similar to that of normal spiral galaxies. These results suggest that stellar feedback in star-forming galaxies reaches an approximately steady-state condition, in which a relatively constant fraction of about 2% of the total energy output from supernovae and stellar winds is converted into X-ray flux. Three late-stage merger remnants with low SFRs and high K-band luminosities (L K ) have enhanced L X(gas)/SFR; their UV/IR/optical colors suggest that they are post-starburst galaxies, perhaps in the process of becoming ellipticals. Systems with L K < 1010 L ⊙ have lower L X(gas)/SFR ratios than the other galaxies in our sample, perhaps due to lower gravitational fields or lower metallicities. We see no relation between L X(gas)/SFR and Seyfert activity in this sample, suggesting that feedback from active galactic nuclei is not a major contributor to the hot gas in our sample galaxies.

  19. NMR study on the Li diffusion in a cathode material of amorphous vanadium pentoxide-5 mol% phosphorus pentoxide

    International Nuclear Information System (INIS)

    Asai, T.; Sugimoto, S.; Kawai, S.

    1989-01-01

    Diffusion properties of Li ion in a cathode material of amorphous Li chi V 2 O 5 with 5 mol% P 2 O 5 (chi=0.2-2) studied by means of Li NMR. From the relaxation time, the diffusion coefficient at 25 0 C is obtained. From the second moment, Li + ions seemed to occupy sites approximately 2.9 A apart in a large cavity similar to that in the crystalline V 2 O 5 . It is suggested that there are three kinds of sites for the Li + ion in the cavity, and that the ion changes the site of one kind to the others at chi≅0.6

  20. Water transport in gas diffusion media for PEM fuel cells. Experimental and numerical investigation

    Energy Technology Data Exchange (ETDEWEB)

    Roth, Joerg

    2010-08-20

    The water flux in partially saturated hydrophobic carbon fibre paper for polymer electrolyte membrane fuel cell applications is investigated and compared with the frequently used constitutive two-phase flow model based on Darcy's law. Further, the first steps towards a math-based material design for gas diffusion media are explored in this thesis. Two self-developed ex-situ experiments to investigate the liquid water transport are introduced. The first is a newly developed buoyancy-based measurement of the pressuresaturation relationship on thin porous material with an accuracy of 0.5 kPa for the pressure and {+-} 5% for the saturation. The second experiment measures the pressure drop in dependence of flow rates down to magnitudes of {mu}L/s across the partially saturated thin porous material. This flow rate is relevant for the fuel cell application. The liquid water transport through Toray 060 carbon fibre paper, impregnated with 7% and 10% PTFE is investigated at wet and dry boundary conditions. The experiments are also accompanied by analytical and numerical free surface modelling with the consideration of the material morphology and liquid-solid interaction. The imbibing and draining cases of an arrangement of six fibres at varying solid-liquid interaction and boundary conditions are studied with 'Surface Evolver'. In order to evaluate the findings of ex-situ and modelling work for applicability to water transport in fuel cell operation, the technique of nuclear magnetic resonance (NMR) imaging is assessed. The focus is on the visualisation of 2D and 3D water distribution in the operating fuel cell. The compatibility of the NMR experiment with fuel cell operation in relation to material selection, operating temperature, and current density is addressed. NMR imaging is employed for different current densities, stoichiometries, and fuel cell arrangements. The fuel cell arrangements differ by the cathode diffusion medium. Plain, hydrophobic, and

  1. A fast random walk algorithm for computing diffusion-weighted NMR signals in multi-scale porous media: A feasibility study for a Menger sponge

    International Nuclear Information System (INIS)

    Grebenkov, Denis S.; Nguyen, Hang T.; Li, Jing-Rebecca

    2013-01-01

    A fast random walk (FRW) algorithm is adapted to compute diffusion-weighted NMR signals in a Menger sponge which is formed by multiple channels of broadly distributed sizes and often considered as a model for soils and porous materials. The self-similar structure of a Menger sponge allows for rapid simulations that were not feasible by other numerical techniques. The role of multiple length scales on diffusion-weighted NMR signals is investigated. (authors)

  2. Liquid and gas phase NMR spectra of 13CH313CHO acetaldehyde

    Science.gov (United States)

    Makulski, Włodzimierz; Wikieł, Agata J.

    2018-01-01

    The gas phase NMR experiments perform a vital role in establishing the magnetic shielding and spin-spin coupling constants which are free from intermolecular interactions, equivalent to the parameter of isolated molecules. This work is concerned with an acetaldehyde molecule. Small amounts of acetaldehyde 13CH313CHO in gaseous matrices of CO2 and Xe were studied using high-precision 1H and 13C NMR measurements. Results were extrapolated to the zero-density limit permitting the determinations of the 1H and 13C absolute nuclear magnetic shielding of an isolated acetaldehyde molecule. The difference between the experimental and recent theoretical DFT results is discussed. Several samples of 13CH313CHO dissolved in popular organic and inorganic solvents were also investigated. Gas-to-solution shifts show the influence of the association process when acetaldehyde is transferred from gas to liquid state. Several spin-spin coupling constants in the gas phase and in different solvents were precisely measured.

  3. Measurement of Solution Viscosity via Diffusion-Ordered NMR Spectroscopy (DOSY)

    Science.gov (United States)

    Li, Weibin; Kagan, Gerald; Hopson, Russell; Williard, Paul G.

    2011-01-01

    Increasingly, the undergraduate chemistry curriculum includes nuclear magnetic resonance (NMR) spectroscopy. Advanced NMR techniques are often taught including two-dimensional gradient-based experiments. An investigation of intermolecular forces including viscosity, by a variety of methods, is often integrated in the undergraduate physical and…

  4. Preparation of cold ions in strong magnetic field and its application to gas-phase NMR spectroscopy

    International Nuclear Information System (INIS)

    Fuke, K.; Ohshima, Y.; Tona, M.

    2015-01-01

    Nuclear Magnetic Resonance (NMR) technique is widely used as a powerful tool to study the physical and chemical properties of materials. However, this technique is limited to the materials in condensed phases. To extend this technique to the gas-phase molecular ions, we are developing a gas-phase NMR apparatus. In this note, we describe the basic principle of the NMR detection for molecular ions in the gas phase based on a Stern-Gerlach type experiment in a Penning trap and outline the apparatus under development. We also present the experimental procedures and the results on the formation and the manipulation of cold ions under a strong magnetic field, which are the key techniques to detect the NMR by the present method

  5. Verification of the integrity of barriers using gas diffusion

    International Nuclear Information System (INIS)

    Ward, D.B.; Williams, C.V.

    1997-06-01

    In-situ barrier materials and designs are being developed for containment of high risk contamination as an alternative to immediate removal or remediation. The intent of these designs is to prevent the movement of contaminants in either the liquid or vapor phase by long-term containment, essentially buying time until the contaminant depletes naturally or a remediation can be implemented. The integrity of the resultant soil-binder mixture is typically assessed by a number of destructive laboratory tests (leaching, compressive strength, mechanical stability with respect to wetting and freeze-thaw cycles) which as a group are used to infer the likelihood of favorable long-term performance of the barrier. The need exists for a minimally intrusive yet quantifiable methods for assessment of a barrier's integrity after emplacement, and monitoring of the barrier's performance over its lifetime. Here, the authors evaluate non-destructive measurements of inert-gas diffusion (specifically, SF 6 ) as an indicator of waste-form integrity. The goals of this project are to show that diffusivity can be measured in core samples of soil jet-grouted with Portland cement, validate the experimental method through measurements on samples, and to calculate aqueous diffusivities from a series of diffusion measurements. This study shows that it is practical to measure SF 6 diffusion rates in the laboratory on samples of grout (Portland cement and soil) typical of what might be used in a barrier. Diffusion of SF 6 through grout (Portland cement and soil) is at least an order of magnitude slower than through air. The use of this tracer should be sensitive to the presence of fractures, voids, or other discontinuities in the grout/soil structure. Field-scale measurements should be practical on time-scales of a few days

  6. Verification of the integrity of barriers using gas diffusion

    Energy Technology Data Exchange (ETDEWEB)

    Ward, D.B. [SPECTRA Research Inst., Albuquerque, NM (United States); Williams, C.V. [Sandia National Labs., Albuquerque, NM (United States). Environmental Restoration Technologies Dept.

    1997-06-01

    In-situ barrier materials and designs are being developed for containment of high risk contamination as an alternative to immediate removal or remediation. The intent of these designs is to prevent the movement of contaminants in either the liquid or vapor phase by long-term containment, essentially buying time until the contaminant depletes naturally or a remediation can be implemented. The integrity of the resultant soil-binder mixture is typically assessed by a number of destructive laboratory tests (leaching, compressive strength, mechanical stability with respect to wetting and freeze-thaw cycles) which as a group are used to infer the likelihood of favorable long-term performance of the barrier. The need exists for a minimally intrusive yet quantifiable methods for assessment of a barrier`s integrity after emplacement, and monitoring of the barrier`s performance over its lifetime. Here, the authors evaluate non-destructive measurements of inert-gas diffusion (specifically, SF{sub 6}) as an indicator of waste-form integrity. The goals of this project are to show that diffusivity can be measured in core samples of soil jet-grouted with Portland cement, validate the experimental method through measurements on samples, and to calculate aqueous diffusivities from a series of diffusion measurements. This study shows that it is practical to measure SF{sub 6} diffusion rates in the laboratory on samples of grout (Portland cement and soil) typical of what might be used in a barrier. Diffusion of SF{sub 6} through grout (Portland cement and soil) is at least an order of magnitude slower than through air. The use of this tracer should be sensitive to the presence of fractures, voids, or other discontinuities in the grout/soil structure. Field-scale measurements should be practical on time-scales of a few days.

  7. A comparison of Fick and Maxwell-Stefan diffusion formulations in PEMFC gas diffusion layers

    Science.gov (United States)

    Lindstrom, Michael; Wetton, Brian

    2017-01-01

    This paper explores the mathematical formulations of Fick and Maxwell-Stefan diffusion in the context of polymer electrolyte membrane fuel cell cathode gas diffusion layers. The simple Fick law with a diagonal diffusion matrix is an approximation of Maxwell-Stefan. Formulations of diffusion combined with mass-averaged Darcy flow are considered for three component gases. For this application, the formulations can be compared computationally in a simple, one dimensional setting. Despite the models' seemingly different structure, it is observed that the predictions of the formulations are very similar on the cathode when air is used as oxidant. The two formulations give quite different results when the Nitrogen in the air oxidant is replaced by helium (this is often done as a diagnostic for fuel cells designs). The two formulations also give quite different results for the anode with a dilute Hydrogen stream. These results give direction to when Maxwell-Stefan diffusion, which is more complicated to implement computationally in many codes, should be used in fuel cell simulations.

  8. Analysis of Polycyclic Aromatic Hydrocarbon (PAH Mixtures Using Diffusion-Ordered NMR Spectroscopy and Adsorption by Powdered Activated Carbon and Biochar

    Directory of Open Access Journals (Sweden)

    Dong An

    2018-03-01

    Full Text Available Analysis of polycyclic aromatic hydrocarbons (PAHs in air and water sources is a key part of environmental chemistry research, since most PAHs are well known to be associated with negative health impacts on humans. This study explores an approach for analyzing PAH mixtures with advanced nuclear magnetic resonance (NMR spectroscopic techniques including high-resolution one-dimensional (1D NMR spectroscopy and diffusion-ordered NMR spectroscopy (DOSY NMR. With this method, different kinds of PAHs can be detected and differentiated from a mixture with high resolution. The adsorption process of PAH mixtures by PAC and biochar was studied to understand the mechanism and assess the method.

  9. Application of safeguards techniques to the Eurodif gas diffusion plant

    International Nuclear Information System (INIS)

    Coates, J.H.; Goens, J.R.

    1979-01-01

    The characteristic features of gas diffusion plants are such that safeguards procedures specifically suited for this technique can be proposed. The first of these features is the fact that appreciably altering the enrichment level of the plant product is not possible without making easily detectable changes either in the plant structure itself or in the movement of incoming and outgoing materials. Furthermore, because of the size of gas diffusion plants large stocks of uranium are present in them. Although inventory differences may be small in relative terms, they are large in abosolute terms and exceed the quantities of low-enriched uranium considered significant from the standpoint of safeguards. Lastly, the impossibility for economic reasons for taking a physical inventory of the plant after it has been emptied prevents a comparison of the physical inventory with the book inventory. It would therefore seem that the safeguarding of a gas diffusion plant should be focused on the movement of nuclear material between the plant and the outside world. The verification of inputs and outputs can be considered satisfactory from the safeguards standpoint as long as it is possible to make sure of the containment of the plant and of the surveillance for the purpose of preventing clandestine alterations of structure. The description of the Eurodif plant and the movement of materials planned there at present indicate that the application of such a safeguards technique to the plant should be acceptable to the competent authorities. For this purpose a monitoring area has been set aside in which the inspectors will be able to keep track of all movements between the outside world and the enrichment plant

  10. Digital volume imaging of the PEFC gas diffusion layer

    Energy Technology Data Exchange (ETDEWEB)

    Borup, Rodney L [Los Alamos National Laboratory; Mukundan, Rangachary [Los Alamos National Laboratory; Mukherjee, Partha [ORNL; Shim, Eunkyoung [NC ST

    2010-01-01

    The gas diffusion layer (GDL) plays a key role in the overall performance/durability of a polymer electrolyte fuel cell (PEFC). Of profound importance, especially in the context of water management and flooding phenomena, is the influence of the underlying pore morphology and wetting characteristics Of the GDL microstructure. In this article, we present the digital volumetric imaging (DVI) technique in order to generate the 3-D carbon paper GDL microstructure. The internal pore structure and the local microstructural variations in terms of fiber alignment and fiber/binder distributions are investigated using the several 3-D thin sections of the sample obtained from DVI.

  11. Computational Diffusion Magnetic Resonance Imaging Based on Time-Dependent Bloch NMR Flow Equation and Bessel Functions.

    Science.gov (United States)

    Awojoyogbe, Bamidele O; Dada, Michael O; Onwu, Samuel O; Ige, Taofeeq A; Akinwande, Ninuola I

    2016-04-01

    Magnetic resonance imaging (MRI) uses a powerful magnetic field along with radio waves and a computer to produce highly detailed "slice-by-slice" pictures of virtually all internal structures of matter. The results enable physicians to examine parts of the body in minute detail and identify diseases in ways that are not possible with other techniques. For example, MRI is one of the few imaging tools that can see through bones, making it an excellent tool for examining the brain and other soft tissues. Pulsed-field gradient experiments provide a straightforward means of obtaining information on the translational motion of nuclear spins. However, the interpretation of the data is complicated by the effects of restricting geometries as in the case of most cancerous tissues and the mathematical concept required to account for this becomes very difficult. Most diffusion magnetic resonance techniques are based on the Stejskal-Tanner formulation usually derived from the Bloch-Torrey partial differential equation by including additional terms to accommodate the diffusion effect. Despite the early success of this technique, it has been shown that it has important limitations, the most of which occurs when there is orientation heterogeneity of the fibers in the voxel of interest (VOI). Overcoming this difficulty requires the specification of diffusion coefficients as function of spatial coordinate(s) and such a phenomenon is an indication of non-uniform compartmental conditions which can be analyzed accurately by solving the time-dependent Bloch NMR flow equation analytically. In this study, a mathematical formulation of magnetic resonance flow sequence in restricted geometry is developed based on a general second order partial differential equation derived directly from the fundamental Bloch NMR flow equations. The NMR signal is obtained completely in terms of NMR experimental parameters. The process is described based on Bessel functions and properties that can make it

  12. Accessing the long-time limit in diffusion NMR: The case of singlet assisted diffusive diffraction q-space

    Science.gov (United States)

    Pileio, Giuseppe; Ostrowska, Sylwia

    2017-12-01

    The latest developments in the field of long-lived spin states are merged with pulsed-field gradient techniques to extend the diffusion time beyond what is currently achievable in standard q-space diffusive-diffraction studies. The method uses nearly-equivalent spin-1/2 pairs that let diffusion times of the order of many minutes to be measured allowing access to the long-time limit in cavities of macroscopic size (millimeters). A pulse sequence suitable to exploit this regime has been developed and validated with the use of numerical simulations and experiments.

  13. Comparison of NMR and Dynamic Light Scattering for Measuring Diffusion Coefficients of Formulated Insulin: Implications for Particle Size Distribution Measurements in Drug Products.

    Science.gov (United States)

    Patil, Sharadrao M; Keire, David A; Chen, Kang

    2017-11-01

    Particle size distribution, a measurable physicochemical quantity, is a critical quality attribute of drug products that needs to be controlled in drug manufacturing. The non-invasive methods of dynamic light scattering (DLS) and Diffusion Ordered SpectroscopY (DOSY) NMR can be used to measure diffusion coefficient and derive the corresponding hydrodynamic radius. However, little is known about their use and sensitivity as analytical tools for particle size measurement of formulated protein therapeutics. Here, DLS and DOSY-NMR methods are shown to be orthogonal and yield identical diffusion coefficient results for a homogenous monomeric protein standard, ribonuclease A. However, different diffusion coefficients were observed for five insulin drug products measured using the two methods. DOSY-NMR yielded an averaged diffusion coefficient among fast exchanging insulin oligomers, ranging between dimer and hexamer in size. By contrast, DLS showed several distinct species, including dimer, hexamer, dodecamer and other aggregates. The heterogeneity or polydisperse nature of insulin oligomers in formulation caused DOSY-NMR and DLS results to differ from each other. DLS measurements provided more quality attributes and higher sensitivity to larger aggregates than DOSY-NMR. Nevertheless, each method was sensitive to a different range of particle sizes and complemented each other. The application of both methods increases the assurance of complex drug quality in this similarity comparison.

  14. A Search for Hot, Diffuse Gas in Superclusters

    Science.gov (United States)

    Boughn, Stephen P.

    1998-01-01

    The HEA01 A2 full sky, 2-10 keV X-ray map was searched for diffuse emission correlated with the plane of the local supercluster of galaxies and a positive correlation was found at the 99% confidence level. The most obvious interpretation is that the local supercluster contains a substantial amount of hot (10(exp 8) OK), diffuse gas, i.e. ionized hydrogen, with a density on the order of 2 - 3 x 10(exp -6) ions per cubic centimeter. This density is about an order of magnitude larger than the average baryon density of the universe and is consistent with a supercluster collapse factor of 10. The implied total mass is of the order of 10(exp 16) times the mass of the sun and would constitute a large fraction of the baryonic matter in the local universe. This result supports current thinking that most of the ordinary matter in the universe is in the form of ionized hydrogen; however, the high temperature implied by the X-ray emission is at the top of the range predicted by most theories. The presence of a large amount of hot gas would leave its imprint on the Cosmic Microwave Background (CMB) via the Sunyaev-Zel'dovich (SZ) effect. A marginal decrement (-17 muK) was found in the COBE 4-year 53 GHz CMB map coincident with the plane of the local supercluster. Although the detection is only 1beta, the level is consistent with the SZ effect predicted from the hot gas. If these results are confirmed by future observations they will have important implications for the formation of large-scale structure in the universe. Three other projects related directly to the HEAO 1 map or the X-ray background in general benefited from this NASA grant. They are: (1) "Correlations between the Cosmic X-ray and Microwave Backgrounds: Constraints on a Cosmological Constant"; (2) "Cross-correlation of the X-ray Background with Radio Sources: Constraining the Large-Scale Structure of the X-ray Background"; and (3) "Radio and X-ray Emission Mechanisms in Advection Dominated Accretion Flow".

  15. The water-induced linear reduction gas diffusivity model extended to three pore regions

    DEFF Research Database (Denmark)

    Chamindu, Deepagoda; De Jonge, Lis Wollesen; Kawamoto, Ken

    2015-01-01

    An existing gas diffusivity model developed originally for sieved, repacked soils was extended to characterize gas diffusion in differently structured soils and functional pore networks. A gas diffusivity-derived pore connectivity index was used as a measure of soil structure development. Charact......An existing gas diffusivity model developed originally for sieved, repacked soils was extended to characterize gas diffusion in differently structured soils and functional pore networks. A gas diffusivity-derived pore connectivity index was used as a measure of soil structure development....... Characterization of soil functional pore structure is an essential prerequisite to understand key gas transport processes in variably saturated soils in relation to soil ecosystems, climate, and environmental services. In this study, the water-induced linear reduction (WLR) soil gas diffusivity model originally...... gas diffusivity from moist to dry conditions across differently structured porous media, including narrow soil size fractions, perforated plastic blocks, fractured limestone, peaty soils, aggregated volcanic ash soils, and particulate substrates for Earth- or space-based applications. The new Cip...

  16. Macromolecular Crowding Studies of Amino Acids Using NMR Diffusion Measurements and Molecular Dynamics Simulations

    Directory of Open Access Journals (Sweden)

    Amninder S Virk

    2015-02-01

    Full Text Available Molecular crowding occurs when the total concentration of macromolecular species in a solution is so high that a considerable proportion of the volume is physically occupied and therefore not accessible to other molecules. This results in significant changes in the solution properties of the molecules in such systems. Macromolecular crowding is ubiquitous in biological systems due to the generally high intracellular protein concentrations. The major hindrance to understanding crowding is the lack of direct comparison of experimental data with theoretical or simulated data. Self-diffusion is sensitive to changes in the molecular weight and shape of the diffusing species, and the available diffusion space (i.e., diffusive obstruction. Consequently, diffusion measurements are a direct means for probing crowded systems including the self-association of molecules. In this work, nuclear magnetic resonance measurements of the self-diffusion of four amino acids (glycine, alanine, valine and phenylalanine up to their solubility limit in water were compared directly with molecular dynamics simulations. The experimental data were then analyzed using various models of aggregation and obstruction. Both experimental and simulated data revealed that the diffusion of both water and the amino acids were sensitive to the amino acid concentration. The direct comparison of the simulated and experimental data afforded greater insights into the aggregation and obstruction properties of each amino acid.

  17. Calculated /sup 13/C NMR relaxation parameters for a restricted internal diffusion model. Application to methionine relaxation in dihydrofolate reductase

    Energy Technology Data Exchange (ETDEWEB)

    London, R.E.; Avitabile, J.

    1978-11-08

    /sup 13/C NMR relaxation parameters, T/sub 1/, T/sub 2/, and NOE, have been calculated based on a model assuming internal rotational diffusion subject to boundary conditions limiting the range of motion. Numerical results are presented as a function of diffusion coefficients D/sub 0/ and D/sub i/ and angle ..beta.. defined as in the free internal rotation calculation, as well as 2theta, the allowed range of motion. Relaxation times vary from values expected in the absence of internal motion to values slightly below those calculated using the free internal rotation model as the range is increased from 0 to 360/sup 0/. The discrepancy in the latter comparison arises from the boundary condition preventing diffusion from 180/sup +/ to 180/sup -/. Changes in T/sub 2/ are typically monotonic or nearly monotonic as a function of theta; however, changes in T/sub 1/ and NOE values are markedly nonmonotonic for D/sub 0/ approx. < 10/sup 6/ s/sup -1/ and for certain values of D/sub i/. Criteria for the applicability of the present calculations to the analysis of /sup 13/C NMR relaxation data obtained in studies of macromolecules undergoing restricted internal motion have been suggested. The results have been generalized to the case of multiple internal rotations, specifically for the problem of one free and one restricted diffusional process. In general, two types of rotation are not commutative. This model has been applied to relaxation data recently obtained for the methionine methyl resonances of specifically /sup 13/C-labeled dihydrofolate reductase obtained from S. faecium. The results indicate that the data can be readily explained by assuming rapid free internal diffusion about the S--CH/sub 3/ bond and restricted internal diffusion about the CH/sub 2/--S bond of methionine, such that for the broadest resonances the motional range is restricted to approx. 90/sup 0/ and for the sharpest resonances the range is >180/sup 0/. Restriction of the motion allows a

  18. Diffusivity measurements in some organic solvents by a gas-liquid diaphragm cell

    NARCIS (Netherlands)

    Littel, R.J.; Littel, R.J.; Versteeg, Geert; van Swaaij, Willibrordus Petrus Maria

    1992-01-01

    A diaphragm cell has been developed for the measurement of diffusion coefficients of gases In liquids. The diaphragm cell is operated batchwise with respect to both gas and liquid phases, and the diffusion process Is followed by means of the gas pressure decrease which is recorded by means of a

  19. Diffusivity Measurements in Some Organic Solvents by a Gas-Liquid Diaphragm Cell

    NARCIS (Netherlands)

    Littel, Rob J.; Versteeg, Geert F.; Swaaij, Wim P.M. van

    1992-01-01

    A diaphragm cell has been developed for the measurement of diffusion coefficients of gases in liquids. The diaphragm cell is operated batchwise with respect to both gas and liquid phases, and the diffusion process is followed by means of the gas pressure decrease which is recorded by means of a

  20. Maxwell's Law Based Models for Liquid and Gas Phase Diffusivities in Variably-Saturated Soil

    DEFF Research Database (Denmark)

    Mamamoto, Shoichiro; Møldrup, Per; Kawamoto, Ken

    2012-01-01

    The gas diffusion coefficient (D-s,D-g) and solute diffusion coefficient (D-s,D-l) and their dependencies on fluid content (kappa) (equal to soil-air content theta for D-s,D-g and soil-water content epsilon for D-s,D-l) are controlling factors for gas and solute transport in variably saturated so...

  1. Combining Diffusion NMR and Small-Angle Neutron Scattering Enables Precise Measurements of Polymer Chain Compression in a Crowded Environment

    Science.gov (United States)

    Palit, Swomitra; He, Lilin; Hamilton, William A.; Yethiraj, Arun; Yethiraj, Anand

    2017-03-01

    The effect of particles on the behavior of polymers in solution is important in a number of important phenomena such as the effect of "crowding" proteins in cells, colloid-polymer mixtures, and nanoparticle "fillers" in polymer solutions and melts. In this Letter, we study the effect of spherical inert nanoparticles (which we refer to as "crowders") on the diffusion coefficient and radius of gyration of polymers in solution using pulsed-field-gradient NMR and small-angle neutron scattering (SANS), respectively. The diffusion coefficients exhibit a plateau below a characteristic polymer concentration, which we identify as the overlap threshold concentration c⋆. Above c⋆, in a crossover region between the dilute and semidilute regimes, the (long-time) self-diffusion coefficients are found, universally, to decrease exponentially with polymer concentration at all crowder packing fractions, consistent with a structural basis for the long-time dynamics. The radius of gyration obtained from SANS in the crossover regime changes linearly with an increase in polymer concentration, and must be extrapolated to c⋆ in order to obtain the radius of gyration of an individual polymer chain. When the polymer radius of gyration and crowder size are comparable, the polymer size is very weakly affected by the presence of crowders, consistent with recent computer simulations. There is significant chain compression, however, when the crowder size is much smaller than the polymer radius gyration.

  2. Fluid-Rock Characterization and Interactions in NMR Well Logging

    Energy Technology Data Exchange (ETDEWEB)

    Hirasaki, George J.; Mohanty, Kishore K.

    2003-02-10

    The objective of this project was to characterize the fluid properties and fluid-rock interactions that are needed for formation evaluation by NMR well logging. The advances made in the understanding of NMR fluid properties are summarized in a chapter written for an AAPG book on NMR well logging. This includes live oils, viscous oils, natural gas mixtures, and the relation between relaxation time and diffusivity.

  3. Evaluation Of Gas Diffusion Through Plastic Materials Used In Experimental And Sampling Equipment

    DEFF Research Database (Denmark)

    Kjeldsen, Peter

    1993-01-01

    Plastic materials are often used in experimental and sampling equipment. Plastics are not gas tight, since gases are able to diffuse through the walls of tubing and containers made of plastic. Methods for calculating the significance of gas diffusion through the walls of containers and the walls ...... that the use of silicone rubber in experimental and sampling equipment to be used for anoxic water is, for most cases, prohibited by oxygen diffusion....

  4. MODELLING OF THE GAS DIFFUSION IN FLEXIBLE PIPELINES FOR OIL & GAS PRODUCTION

    Directory of Open Access Journals (Sweden)

    Marius STAN

    2017-05-01

    Full Text Available This presentation describes a model used to study gas diffusion through layers of flexible pipes by time. The temperature gradient pipe is considered as temperature dependent permeability rates. This model is coupled with a calculation that indicate changes in pressure and volume of vapors resulting in the annular space. Associated mathematical models and methods for solving the results obtained are presented in Math Soft with a user-friendly interface that helps in data entry and processing results. In this presentation will show the possibilities of this software.

  5. Mathematical Development and Computational Analysis of Harmonic Phase-Magnetic Resonance Imaging (HARP-MRI) Based on Bloch Nuclear Magnetic Resonance (NMR) Diffusion Model for Myocardial Motion.

    Science.gov (United States)

    Dada, Michael O; Jayeoba, Babatunde; Awojoyogbe, Bamidele O; Uno, Uno E; Awe, Oluseyi E

    2017-09-13

    Harmonic Phase-Magnetic Resonance Imaging (HARP-MRI) is a tagged image analysis method that can measure myocardial motion and strain in near real-time and is considered a potential candidate to make magnetic resonance tagging clinically viable. However, analytical expressions of radially tagged transverse magnetization in polar coordinates (which is required to appropriately describe the shape of the heart) have not been explored because the physics required to directly connect myocardial deformation of tagged Nuclear Magnetic Resonance (NMR) transverse magnetization in polar geometry and the appropriate harmonic phase parameters are not yet available. The analytical solution of Bloch NMR diffusion equation in spherical geometry with appropriate spherical wave tagging function is important for proper analysis and monitoring of heart systolic and diastolic deformation with relevant boundary conditions. In this study, we applied Harmonic Phase MRI method to compute the difference between tagged and untagged NMR transverse magnetization based on the Bloch NMR diffusion equation and obtained radial wave tagging function for analysis of myocardial motion. The analytical solution of the Bloch NMR equations and the computational simulation of myocardial motion as developed in this study are intended to significantly improve healthcare for accurate diagnosis, prognosis and treatment of cardiovascular related deceases at the lowest cost because MRI scan is still one of the most expensive anywhere. The analysis is fundamental and significant because all Magnetic Resonance Imaging techniques are based on the Bloch NMR flow equations.

  6. Multi-scale structural analysis of gas diffusion layers

    Science.gov (United States)

    Göbel, Martin; Godehardt, Michael; Schladitz, Katja

    2017-07-01

    The macroscopic properties of materials are strongly determined by their micro structure. Here, transport properties of gas diffusion layers (GDL) for fuel cells are considered. In order to simulate flow and thermal properties, detailed micro structural information is essential. 3D images obtained by high-resolution computed tomography using synchrotron radiation and scanning electron microscopy (SEM) combined with focused ion beam (FIB) serial slicing were used. A recent method for reconstruction of porous structures from FIB-SEM images and sophisticated morphological image transformations were applied to segment the solid structural components. The essential algorithmic steps for segmenting the different components in the tomographic data-sets are described and discussed. In this paper, two types of GDL, based on a non-woven substrate layer and a paper substrate layer were considered, respectively. More than three components are separated within the synchrotron radiation computed tomography data. That is, fiber system, polytetrafluoroethylene (PTFE) binder/impregnation, micro porous layer (MPL), inclusions within the latter, and pore space are segmented. The usage of the thus derived 3D structure data in different simulation applications can be demonstrated. Simulations of macroscopic properties such as thermal conductivity, depending on the flooding state of the GDL are possible.

  7. Application of pulsed-gradient 31P NMR on frog muscle to measure the diffusion rates of phosphorus compounds in cells

    International Nuclear Information System (INIS)

    Yoshizaki, K.; Seo, Y.; Nishikawa, H.; Morimoto, T.

    1982-01-01

    Pulsed-gradient 31 P NMR was used to measure the diffusion rates of phosphorus compounds in aqueous solution and in living muscles. The diffusion rates of creatine phosphate and inorganic phosphate in intact frog muscle cells were reduced by a factor of approx. 2 from those in aqueous solution, which suggests that the apparent intracellular viscosity is approx. 2 times larger than in aqueous solution

  8. Multimodel analysis of anisotropic diffusive tracer-gas transport in a deep arid unsaturated zone

    Science.gov (United States)

    Green, Christopher T.; Walvoord, Michelle Ann; Andraski, Brian J.; Striegl, Robert G.; Stonestrom, David A.

    2015-01-01

    Gas transport in the unsaturated zone affects contaminant flux and remediation, interpretation of groundwater travel times from atmospheric tracers, and mass budgets of environmentally important gases. Although unsaturated zone transport of gases is commonly treated as dominated by diffusion, the characteristics of transport in deep layered sediments remain uncertain. In this study, we use a multimodel approach to analyze results of a gas-tracer (SF6) test to clarify characteristics of gas transport in deep unsaturated alluvium. Thirty-five separate models with distinct diffusivity structures were calibrated to the tracer-test data and were compared on the basis of Akaike Information Criteria estimates of posterior model probability. Models included analytical and numerical solutions. Analytical models provided estimates of bulk-scale apparent diffusivities at the scale of tens of meters. Numerical models provided information on local-scale diffusivities and feasible lithological features producing the observed tracer breakthrough curves. The combined approaches indicate significant anisotropy of bulk-scale diffusivity, likely associated with high-diffusivity layers. Both approaches indicated that diffusivities in some intervals were greater than expected from standard models relating porosity to diffusivity. High apparent diffusivities and anisotropic diffusivity structures were consistent with previous observations at the study site of rapid lateral transport and limited vertical spreading of gas-phase contaminants. Additional processes such as advective oscillations may be involved. These results indicate that gases in deep, layered unsaturated zone sediments can spread laterally more quickly, and produce higher peak concentrations, than predicted by homogeneous, isotropic diffusion models.

  9. Italian and Argentine olive oils: a NMR and gas chromatographic study

    Directory of Open Access Journals (Sweden)

    Segre, Annalaura

    2001-12-01

    Full Text Available High-field Nuclear Magnetic Resonance (NMR spectroscopy and Gas Chromatography (GC were used to analyze 16 monovarietal olive oils obtained from few matched Mediterranean cultivars grown in experimental fields located in Italy and in the Catamarca region of Argentina. The Catamarca region is characterized by extreme pedoclimatic conditions and by a wild spontaneous vegetation. The proposed sampling allows to study the effect of different pedoclimatic conditions on olive oil composition. GC gives the fatty acid profile of olive oil samples. 1H and 13C NMR techniques provide different information: the 1H NMR spectrum allows the measurement of minor components of olive oils such as b-sytosterol, hexanal, trans-2-hexenal, formaldehyde, squalene, cycloartenol and linolenic acid; the 1C NMR spectrum allows to obtain information about glycerol tri-esters of olive oils, i.e., about their acyl composition and positional distribution on glycerol moiety. All the NMR and GC results have been submitted to Linear Discriminant Analysis (LDA and Tree Cluster Analysis (TCA. A careful analysis of the statistical results allows to select the Mediterranean cultivars less affected by the climatic conditions present in the Catamarca region. The selected cultivars produce olive oils which keep their Mediterranean characteristics and which can be proposed as colonizing plants in this wild Argentine region.La espectroscopía de Resonancia Magnética Nuclear de alta resolución (RMN y Cromatografía Gaseosa (CG fueron utilizadas para analizar 16 monovariedades de aceites de oliva, obtenidas de algunos olivares Mediterráneos cultivados contemporáneamente en campos experimentales localizados en Italia y en la región de Catamarca en Argentina. Estas muestras permiten estudiar diferentes condiciones pedoclimáticas en la composición de los aceite de oliva. La CG proporciona el perfil en ácidos grasos de los aceites de oliva y las técnicas RMN 1H y RMN 13C suministran

  10. Diffusion of dilute gas in arrays of randomly distributed, vertically aligned, high-aspect-ratio cylinders.

    Science.gov (United States)

    Szmyt, Wojciech; Guerra, Carlos; Utke, Ivo

    2017-01-01

    In this work we modelled the diffusive transport of a dilute gas along arrays of randomly distributed, vertically aligned nanocylinders (nanotubes or nanowires) as opposed to gas diffusion in long pores, which is described by the well-known Knudsen theory. Analytical expressions for (i) the gas diffusion coefficient inside such arrays, (ii) the time between collisions of molecules with the nanocylinder walls (mean time of flight), (iii) the surface impingement rate, and (iv) the Knudsen number of such a system were rigidly derived based on a random-walk model of a molecule that undergoes memoryless, diffusive reflections from nanocylinder walls assuming the molecular regime of gas transport. It can be specifically shown that the gas diffusion coefficient inside such arrays is inversely proportional to the areal density of cylinders and their mean diameter. An example calculation of a diffusion coefficient is delivered for a system of titanium isopropoxide molecules diffusing between vertically aligned carbon nanotubes. Our findings are important for the correct modelling and optimisation of gas-based deposition techniques, such as atomic layer deposition or chemical vapour deposition, frequently used for surface functionalisation of high-aspect-ratio nanocylinder arrays in solar cells and energy storage applications. Furthermore, gas sensing devices with high-aspect-ratio nanocylinder arrays and the growth of vertically aligned carbon nanotubes need the fundamental understanding and precise modelling of gas transport to optimise such processes.

  11. Diffusion of dilute gas in arrays of randomly distributed, vertically aligned, high-aspect-ratio cylinders

    Directory of Open Access Journals (Sweden)

    Wojciech Szmyt

    2017-01-01

    Full Text Available In this work we modelled the diffusive transport of a dilute gas along arrays of randomly distributed, vertically aligned nanocylinders (nanotubes or nanowires as opposed to gas diffusion in long pores, which is described by the well-known Knudsen theory. Analytical expressions for (i the gas diffusion coefficient inside such arrays, (ii the time between collisions of molecules with the nanocylinder walls (mean time of flight, (iii the surface impingement rate, and (iv the Knudsen number of such a system were rigidly derived based on a random-walk model of a molecule that undergoes memoryless, diffusive reflections from nanocylinder walls assuming the molecular regime of gas transport. It can be specifically shown that the gas diffusion coefficient inside such arrays is inversely proportional to the areal density of cylinders and their mean diameter. An example calculation of a diffusion coefficient is delivered for a system of titanium isopropoxide molecules diffusing between vertically aligned carbon nanotubes. Our findings are important for the correct modelling and optimisation of gas-based deposition techniques, such as atomic layer deposition or chemical vapour deposition, frequently used for surface functionalisation of high-aspect-ratio nanocylinder arrays in solar cells and energy storage applications. Furthermore, gas sensing devices with high-aspect-ratio nanocylinder arrays and the growth of vertically aligned carbon nanotubes need the fundamental understanding and precise modelling of gas transport to optimise such processes.

  12. Assessment of diffusive isotopic fractionation in polar firn, and application to ice core trace gas records

    DEFF Research Database (Denmark)

    Buizert, C.; Sowers, T.; Blunier, T.

    2013-01-01

    During rapid variations of the atmospheric mixing ratio of a trace gas, diffusive transport in the porous firn layer atop ice sheets and glaciers alters the isotopic composition of that gas relative to the overlying atmosphere. Records of past atmospheric trace gas isotopic composition from ice...

  13. Transport properties in ionic liquids and ionic liquid mixtures: the challenges of NMR pulsed field gradient diffusion measurements.

    Science.gov (United States)

    Annat, Gary; Macfarlane, Douglas R; Forsyth, Maria

    2007-08-02

    Pulsed field gradient NMR is a powerful method for the measurement of diffusion coefficients in liquids and solids and has begun to attract much attention in the ionic liquids field. However, aspects of the methodology as traditionally applied to solutions may not be uniformly applicable in these more viscous and chemically complex systems. In this paper we present data which shows that the Pulsed Gradient Spin Echo (PGSE) method in particular suffers from intrinsic internal gradients and can produce apparent diffusion coefficients which vary by as much as 20% for different 1H nuclei within a given molecule--an obvious anomaly. In contrast, we show that the Pulsed Gradient Stimulated Echo method does not suffer from this problem to the same extent and produces self-consistent data to a high degree of accuracy (better than 1%). This level of significance has allowed the detection, in this work, of subtle mixing effects in [C(3)mpyr][NTf(2)] and [C(4)mpyr][NTf(2)] mixtures.

  14. Microfluidic preparation and self diffusion PFG-NMR analysis of monodisperse water-in-oil-in-water double emulsions.

    Science.gov (United States)

    Hughes, Eric; Maan, Abid Aslam; Acquistapace, Simone; Burbidge, Adam; Johns, Michael L; Gunes, Deniz Z; Clausen, Pascal; Syrbe, Axel; Hugo, Julien; Schroen, Karin; Miralles, Vincent; Atkins, Tim; Gray, Richard; Homewood, Philip; Zick, Klaus

    2013-01-01

    Monodisperse water-in-oil-in-water (WOW) double emulsions have been prepared using microfluidic glass devices designed and built primarily from off the shelf components. The systems were easy to assemble and use. They were capable of producing double emulsions with an outer droplet size from 100 to 40 μm. Depending on how the devices were operated, double emulsions containing either single or multiple water droplets could be produced. Pulsed-field gradient self-diffusion NMR experiments have been performed on the monodisperse water-in-oil-in-water double emulsions to obtain information on the inner water droplet diameter and the distribution of the water in the different phases of the double emulsion. This has been achieved by applying regularization methods to the self-diffusion data. Using these methods the stability of the double emulsions to osmotic pressure imbalance has been followed by observing the change in the size of the inner water droplets over time. Copyright © 2012 Elsevier Inc. All rights reserved.

  15. Visualization of velocity field and phase distribution in gas-liquid two-phase flow by NMR imaging

    International Nuclear Information System (INIS)

    Matsui, G.; Monji, H.; Obata, J.

    2004-01-01

    NMR imaging has been applied in the field of fluid mechanics, mainly single phase flow, to visualize the instantaneous flow velocity field. In the present study, NMR imaging was used to visualize simultaneously both the instantaneous phase structure and velocity field of gas-liquid two-phase flow. Two methods of NMR imaging were applied. One is useful to visualize both the one component of liquid velocity and the phase distribution. This method was applied to horizontal two-phase flow and a bubble rising in stagnant oil. It was successful in obtaining some pictures of velocity field and phase distribution on the cross section of the pipe. The other is used to visualize a two-dimensional velocity field. This method was applied to a bubble rising in a stagnant water. The velocity field was visualized after and before the passage of a bubble at the measuring cross section. Furthermore, the distribution of liquid velocity was obtained. (author)

  16. The contribution of diffusion to methane transport in deep underground gas deposits; Der Beitrag der Diffusion zum Methantransport in tiefliegenden Gas-Lagerstaetten

    Energy Technology Data Exchange (ETDEWEB)

    Sachs, W. [Institut fuer Erdoel- und Erdgasforschung, Clausthal-Zellerfeld (Germany)

    1998-12-31

    Optimisation of gas production necessitates accurate knowledge of gas transport mechanisms. In view of the extreme temperatures, pressures, and permeability conditions of underground gas deposits, linear transfer of existing knowledge will be inappropriate. The author therefore uses a simple capillary bundle model with exemplary pressures, temperatures and permeabilities in order to assess the contribution of transport by diffusion. The diffusion coefficients, which are required for this and so far could not be measured under pressure, were determined by a new experimental method whose results will permit a better interpretation of the concentration dependence of the diffusion coefficient. The velocity of methane inflow and outflow in the water-filled pore space may provide knowledge on problems of gas storage in the pore space. (orig.) [Deutsch] Fuer den Foerderprozess und insbesondere seine Optimierung ist eine genaue Kenntnis der Transportmechanismen wesentlich. Unter den drastischen Bedingungen fuer Temperatur, Druck und Permeabilitaet tiefliegender Gas-Lagerstaetten mag die Uebertragung der bisherigen Vorstellungen ueber den Transport in der Lagerstaette zu einer unvollstaendigen Beschreibung fuehren. Unter Anwendung eines einfachen Kapillarbuendelmodells wird mit Beispielen fuer Druck, Temperatur und Permeabilitaet der moegliche Beitrag des Transports durch Diffusion abgeschaetzt. Zur Bestimmung der hierfuer notwendigen und bisher unter Druckbeaufschlagung nicht gemessenen Diffusionskoeffizienten wurde eine neue experimentelle Methode angewandt, deren Ergebnisse eine weiterfuehrende Interpretation der Konzentrationsabhaengigkeit des Diffusionskoeffizienten ermoeglichen. Auch fuer Fragestellungen der Speicherung von Gas im Porenraum kann die Geschwindigkeit der Ein- und Ausloesung von Methan im wasserhaltigen Porenraum von Interesse sein. (orig.)

  17. Study on the Adsorption, Diffusion and Permeation Selectivity of Shale Gas in Organics

    Directory of Open Access Journals (Sweden)

    Zhouhua Wang

    2017-01-01

    Full Text Available As kerogen is the main organic component in shale, the adsorption capacity, diffusion and permeability of the gas in kerogen plays an important role in shale gas production. Based on the molecular model of type II kerogen, an organic nanoporous structure was established. The Grand Canonical Monte Carlo (GCMC and Molecular Dynamics (MD methods were used to study the adsorption and diffusion capacity of mixed gas systems with different mole ratios of CO2 and CH4 in the foregoing nanoporous structure, and gas adsorption, isosteric heats of adsorption and self-diffusion coefficient were obtained. The selective permeation of gas components in the organic pores was further studied. The results show that CO2 and CH4 present physical adsorption in the organic nanopores. The adsorption capacity of CO2 is larger than that of CH4 in organic pores, but the self-diffusion coefficient of CH4 in mixed gas is larger than that of CO2. Moreover, the self-diffusion coefficient in the horizontal direction is larger than that in the vertical direction. The mixed gas pressure and mole ratio have limited effects on the isosteric heat and the self-diffusion of CH4 and CO2 adsorption. Regarding the analysis of mixed gas selective permeation, it is concluded that the adsorption selectivity of CO2 is larger than that of CH4 in the organic nanopores. The larger the CO2/CH4 mole ratio, the greater the adsorption and permeation selectivity of mixed gas in shale. The permeation process is mainly controlled by adsorption rather than diffusion. These results are expected to reveal the adsorption and diffusion mechanism of gas in shale organics, which has a great significance for further research.

  18. Gas Diffusivity-Based Design and Characterization of Greenhouse Growth Substrates

    DEFF Research Database (Denmark)

    Deepagoda Thuduwe Kankanamge Kelum, Chamindu; Møldrup, Per; Tuller, Markus

    2013-01-01

    major aspects (physical, chemical, and biological) of growth media characterization for optimal growth media design. A simple approach toward designing a gas diffusivity mixing model is presented to assist with selection of optimal mixing ratios of growth media with markedly different Dp/Do behavior....... combinations thereof, are commonly used as growth media, detailed and comparable physical characterization is key to identify the best performing media. In this study, five potential growth media and two mixtures thereof were characterized based on soil gas diffusivity (Dp/Do, where Dp and Do are gas diffusion...

  19. Flue gas carbon capture using hollow fiber membrane diffuser-separator

    Science.gov (United States)

    Ariono, D.; Chandranegara, A. S.; Widodo, S.; Khoiruddin; Wenten, I. G.

    2018-01-01

    In this work, CO2 removal from flue gas using membrane diffuser-separator was investigated. Hollow fiber polypropylene membrane was used as the diffuser while pure water was used as the absorbent. Separation performance of the membrane diffuser-separator as a function of CO2 concentration (6-28%-vol.) and flow rate (gas: 0.8-1.55 L.min-1 and liquid: 0.2-0.7 L.min-1) was investigated and optimized. It was found that CO2 removal was significantly affected by CO2 concentration in the feed gas. On the other hand, CO2 flux was more influenced by flow rates of liquid and gas rather than concentration. The optimized CO2 removal (64%) and flux (1 x 10-4 mol.m-2.s-1) were obtained at the highest gas flow rate (1.55 L.min-1), the lowest liquid flow rate (0.2 L.min-1), and 6.2%-vol. of CO2 concentration. Outlet gas of the membrane diffuser system tends to carry some water vapor, which is affected by gas and liquid flow rate. Meanwhile, in the steady-state operation of the separator, the gas bubbles generated by the membrane diffuser take a long time to be completely degassed from the liquid phase, thus a portion of gas stream was exiting separator through liquid outlet.

  20. Dynamic properties of water in swollen hypercrosslinked polystyrenes, according to NMR relaxation and diffusion data

    Science.gov (United States)

    Babushkina, T. A.; Novikov, V. V.; Koretskaya, V. S.; Klimova, T. P.; Tsyurupa, M. P.; Blinnikova, Z. K.; Davankov, V. A.

    2015-08-01

    Dynamic properties of the water filling of the internal space of hypercrosslinked polystyrene networks are studied via NMR cryoporometry, spin relaxation, and diffusometry. It is found that in the temperature range of 210-240 K, where frozen water melts in the thin pores of the polymer and seems to become a viscous liquid, the main type of molecular motion is rotational and the main relaxation mechanism ( T 1) is spin-rotational interaction between protons. Above 240 K, dipole-dipole coupling is shown to become the main relaxation mechanism T 1. In the temperature range of 210-295 K, the hypercrosslinked polystyrene matrix displays a set of water spin-spin relaxation rates that suggest the structure has cavities (pores) with different sizes and different conditions for the molecular motion of water. We conclude that the shorter (tens of ms) relaxation times T 1 and T 2 of water in the polymer at the temperature above 265 K compared to free water (2-3 s) indicate features of the dynamic characteristics of water in hydrophobic pores (or thin films on the surfaces of granules) that differ from those of free water. The tortuosity coefficients of the water's path of molecular motion are found to change in a symbate manner with a change in the water content in the hypercrosslinked network.

  1. A dirty window diffuse and translucent molecular gas in the interstellar medium

    CERN Document Server

    Magnani, Loris

    2017-01-01

    This book provides an introduction to the physics of interstellar gas in the Galaxy. It deals with the diffuse interstellar medium which supplies a complex environment for exploring the neutral gas content of a galaxy like the Milky Way and the techniques necessary for studying this non-stellar component. After an initial exposition of the phases of the interstellar medium and the role of gas in a spiral galaxy, the authors discuss the transition from atomic to molecular gas. They then consider basic radiative transfer and molecular spectroscopy with particular emphasis on the molecules useful for studying low-density molecular gas. Observational techniques for investigating the gas and the dust component of the diffuse interstellar medium throughout the electromagnetic spectrum are explored emphasizing results from the recent Herschel and Planck missions. A brief exposition on dust in the diffuse interstellar medium is followed by a discussion of molecular clouds in general and high-latitude molecular clouds...

  2. Evaluation Of Gas Diffusion Through Plastic Materials Used In Experimental And Sampling Equipment

    DEFF Research Database (Denmark)

    Kjeldsen, Peter

    1993-01-01

    . Calculations show that diffusion of oxygen through plastic tubing and reactors into anoxic water can be a serious problem for a series of plastic materials. Comparison of the method for turbulent and laminar flow in tubings shows that the difference is insignificant for most cases. Calculations show also......Plastic materials are often used in experimental and sampling equipment. Plastics are not gas tight, since gases are able to diffuse through the walls of tubing and containers made of plastic. Methods for calculating the significance of gas diffusion through the walls of containers and the walls...... of tubings for both turbulent and laminar flow conditions is presented. A more complex model for diffusion under laminar flow conditions is developed. A comprehensive review on gas diffusion coefficients for the main gases (O2, N2, CO2, CH4 etc.) and for a long range of plastic materials is also presented...

  3. Dynamics of effusive and diffusive gas separation on pillared graphene.

    Science.gov (United States)

    Wesołowski, Radosław P; Terzyk, Artur P

    2016-06-22

    Pillared graphene structures, from a practical viewpoint, are very interesting novel carbon materials. Combining the properties of graphene and nanotubes, such as durability, chemical purity and a controlled structure, they were proven to be effective membranes for noble gas separation processes. Here, we examine their possible use for other, more commercially useful gas mixture separation, i.e. air and coal gas. The mechanism of air gas transport through the pillar channels is studied, and the prospective application of 2-D pillared membranes in effusion-like processes provided. The separative abilities of hybrid systems consisting of membranes with different channel diameters in relation to coal gas are proven to be promising.

  4. Optical pumping and xenon NMR

    International Nuclear Information System (INIS)

    Raftery, M.D.

    1991-11-01

    Nuclear Magnetic Resonance (NMR) spectroscopy of xenon has become an important tool for investigating a wide variety of materials, especially those with high surface area. The sensitivity of its chemical shift to environment, and its chemical inertness and adsorption properties make xenon a particularly useful NMR probe. This work discusses the application of optical pumping to enhance the sensitivity of xenon NMR experiments, thereby allowing them to be used in the study of systems with lower surface area. A novel method of optically-pumping 129 Xe in low magnetic field below an NMR spectrometer and subsequent transfer of the gas to high magnetic field is described. NMR studies of the highly polarized gas adsorbed onto powdered samples with low to moderate surface areas are now possible. For instance, NMR studies of optically-pumped xenon adsorbed onto polyacrylic acid show that xenon has a large interaction with the surface. By modeling the low temperature data in terms of a sticking probability and the gas phase xenon-xenon interaction, the diffusion coefficient for xenon at the surface of the polymer is determined. The sensitivity enhancement afforded by optical pumping also allows the NMR observation of xenon thin films frozen onto the inner surfaces of different sample cells. The geometry of the thin films results in interesting line shapes that are due to the bulk magnetic susceptibility of xenon. Experiments are also described that combine optical pumping with optical detection for high sensitivity in low magnetic field to observe the quadrupoler evolution of 131 Xe spins at the surface of the pumping cells. In cells with macroscopic asymmetry, a residual quadrupolar interaction causes a splitting in the 131 Xe NMR frequencies in bare Pyrex glass cells and cells with added hydrogen

  5. Interactions and Diffusion of Methane and Hydrogen in Microporous Structures: Nuclear Magnetic Resonance (NMR Studies

    Directory of Open Access Journals (Sweden)

    Jaha A. Hamida

    2013-06-01

    Full Text Available Measurements of nuclear spin relaxation times over a wide temperature range have been used to determine the interaction energies and molecular dynamics of light molecular gases trapped in the cages of microporous structures. The experiments are designed so that, in the cases explored, the local excitations and the corresponding heat capacities determine the observed nuclear spin-lattice relaxation times. The results indicate well-defined excitation energies for low densities of methane and hydrogen deuteride in zeolite structures. The values obtained for methane are consistent with Monte Carlo calculations of A.V. Kumar et al. The results also confirm the high mobility and diffusivity of hydrogen deuteride in zeolite structures at low temperatures as observed by neutron scattering.

  6. Lithium diffusion in spinel Li4Ti5O12 and LiTi2O4 films detected with 8Liβ -NMR

    Science.gov (United States)

    Sugiyama, Jun; Umegaki, Izumi; Uyama, Takeshi; McFadden, Ryan M. L.; Shiraki, Susumu; Hitosugi, Taro; Salman, Zaher; Saadaoui, Hassan; Morris, Gerald D.; MacFarlane, W. Andrew; Kiefl, Robert F.

    2017-09-01

    Diffusion of Li+ in (111) oriented thin films of the spinels Li4Ti5O12 and LiTi2O4 has been studied with 8Liβ -detected NMR in the temperature range between 5 and 310 K. In Li4Ti5O12 , the spin-lattice relaxation rate (1 /T1 ) versus temperature shows a clear maximum around 100 K (=Tmax ) which we attribute to magnetic freezing of dilute Ti3 + local magnetic moments, consistent with the results of magnetization and muon spin relaxation (μ+SR ) measurements. The decrease in 1 /T1 with temperature above Tmax indicates that Li+ starts to diffuse with a thermal activation energy (Ea) of 0.11(1) eV. In LiTi2O4 , on the contrary, as temperature increases from 200 K, 1 /T1 increases monotonically up to 310 K. This suggests that Li also starts to diffuse above 200 K with Ea=0.16 (2 ) eV in LiTi2O4 . Comparison with conventional Li-NMR on Li4Ti5O12 implies that both β -NMR and μ+SR sense short-range Li motion, i.e., a jump diffusion of Li+ to the nearest neighboring sites.

  7. Impact of compression on gas transport in non-woven gas diffusion layers of high temperature polymer electrolyte fuel cells

    Science.gov (United States)

    Froning, Dieter; Yu, Junliang; Gaiselmann, Gerd; Reimer, Uwe; Manke, Ingo; Schmidt, Volker; Lehnert, Werner

    2016-06-01

    Gas transport in non-woven gas diffusion layers of a high-temperature polymer electrolyte fuel cell was calculated with the Lattice Boltzmann method. The underlying micro structure was taken from two sources. A real micro structure was analyzed in the synchrotron under the impact of a compression mask mimicking the channel/rib structure of a flow field. Furthermore a stochastic geometry model based on synchrotron X-ray tomography studies was applied. The effect of compression is included in the stochastic model. Gas transport in these micro structures was simulated and the impact of compression was analyzed. Fiber bundles overlaying the micro structure were identified which affect the homogeneity of the gas flow. There are significant deviations between the impact of compression on effective material properties for this type of gas diffusion layers and the Kozeny-Carman equation.

  8. Communication: Proton NMR dipolar-correlation effect as a method for investigating segmental diffusion in polymer melts

    International Nuclear Information System (INIS)

    Lozovoi, A.; Mattea, C.; Stapf, S.; Herrmann, A.; Rössler, E. A.; Fatkullin, N.

    2016-01-01

    A simple and fast method for the investigation of segmental diffusion in high molar mass polymer melts is presented. The method is based on a special function, called proton dipolar-correlation build-up function, which is constructed from Hahn Echo signals measured at times t and t/2. The initial rise of this function contains additive contributions from both inter- and intramolecular magnetic dipole-dipole interactions. The intermolecular contribution depends on the relative mean squared displacements (MSDs) of polymer segments from different macromolecules, while the intramolecular part reflects segmental reorientations. Separation of both contributions via isotope dilution provides access to segmental displacements in polymer melts at millisecond range, which is hardly accessible by other methods. The feasibility of the method is illustrated by investigating protonated and deuterated polybutadiene melts with molecular mass 196 000 g/mol at different temperatures. The observed exponent of the power law of the segmental MSD is close to 0.32 ± 0.03 at times when the root MSD is in between 45 Å and 75 Å, and the intermolecular proton dipole-dipole contribution to the total proton Hahn Echo NMR signal is larger than 50% and increases with time.

  9. Absolute quantification of human liver metabolite concentrations by localized in vivo 31P NMR spectroscopy in diffuse liver disease

    International Nuclear Information System (INIS)

    Noren, Bengt; Wirell, Staffan; Smedby, Oerjan; Lundberg, Peter; Ressner, Marcus; Almer, Sven

    2005-01-01

    Phosphorus-31 NMR spectroscopy using slice selection (DRESS) was used to investigate the absolute concentrations of metabolites in the human liver. Absolute concentrations provide more specific biochemical information compared to spectrum integral ratios. Nine patients with histopathologically proven diffuse liver disease and 12 healthy individuals were examined in a 1.5-T MR scanner (GE Signa LX Echospeed plus). The metabolite concentration quantification procedures included: (1) determination of optimal depth for the in vivo measurements, (2) mapping the detection coil characteristics, (3) calculation of selected slice and liver volume ratios using simple segmentation procedures and (4) spectral analysis in the time domain. The patients had significantly lower concentrations of phosphodiesters (PDE), 6.3±3.9 mM, and ATP-β, 3.6±1.1 mM, (P<0.05) compared with the control group (10.0±4.2 mM and 4.2±0.3 mM, respectively). The concentrations of phosphomonoesters (PME) were higher in the patient group, although this was not significant. Constructing an anabolic charge (AC) based on absolute concentrations, [PME]/([PME] + [PDE]), the patients had a significantly larger AC than the control subjects, 0.29 vs. 0.16 (P<0.005). Absolute concentration measurements of phosphorus metabolites in the liver are feasible using a slice selective sequence, and the technique demonstrates significant differences between patients and healthy subjects. (orig.)

  10. NMR relaxation in spin ice at low temperature due to diffusing emergent monopoles

    Science.gov (United States)

    Henley, Christopher L.

    2013-03-01

    At low temperatures, spin dynamics in ideal spin ice is due mainly to dilute, thermally excited magnetic ``monopole'' excitations. I consider how these will affect the longitudinal (T1) and dephasing (T2) relaxation functions of a nuclear spin in the spin-ice pyrochlore Dy2Ti2O4. Up to the time scale for nearby monopoles to be rearranged, a stretched-exponential form of the relaxation functions is expected, due to averaging over nuclei that have different local environments. ror the dephasing (T2) relaxation, the power of time in the stretched exponential is 3/2 in the case of diffusing monopoles, but 1/2 in the case of fixed, fluctuating magnetic impurities. The flip rate and density of fluctuating spins (whatever their nature) can be extracted from the measured relaxation times T1 and T2, and from known parameters. However, the actual experimental relaxation measured by Kitagawa and Takigawa becomes temperature independent in the very low T limit, and the T2 has a power t 1 / 2 in the exponential, neither of which can be explained by monopoles. I suggest the very low T behavior could be due to magnetic impurities on the (normally nonmagnetic) Ti sites. Supported by NSF grant DMR-1005466.

  11. VARIATIONS BETWEEN DUST AND GAS IN THE DIFFUSE INTERSTELLAR MEDIUM

    International Nuclear Information System (INIS)

    Reach, William T.; Heiles, Carl; Bernard, Jean-Philippe

    2015-01-01

    Using the Planck far-infrared and Arecibo GALFA 21 cm line surveys, we identified a set of isolated interstellar clouds (approximately degree-sized on the sky and comprising 100 solar masses) and assessed the ratio of gas mass to dust mass. Significant variations of the gas/dust ratio are found both from cloud to cloud and within regions of individual clouds; within the clouds, the atomic gas per unit dust decreases by more than a factor of 3 compared with the standard gas/dust ratio. Three hypotheses are considered. First, the apparently low gas/dust ratio could be due to molecular gas. Comparing to Planck CO maps, the brightest clouds have a H 2 /CO ratio comparable to Galactic plane clouds, but a strong lower limit is placed on the ratio for other clouds, such that the required amount of molecular gas is far higher than would be expected based on the CO upper limits. Second, we consider self-absorbed 21 cm lines and find that the optical depth must be ∼3, significantly higher than found from surveys of radio sources. Third, grain properties may change within the clouds: they become more emissive when they are colder, while not utilizing heavy elements that already have their cosmic abundance fully locked into grains. It is possible that all three processes are active, and follow-up studies will be required to disentangle them and measure the true total gas and dust content of interstellar clouds

  12. Effects of matrix moisture on gas diffusion and flow in coal

    Energy Technology Data Exchange (ETDEWEB)

    Zhejun Pan; Luke D. Connell; Michael Camilleri; Leo Connelly [CSIRO Earth Science and Resource Engineering, Clayton, Vic. (Australia). Ian Wark Laboratory

    2010-11-15

    Gas production from coal is a complex process whereby gas, initially adsorbed in the coal matrix, desorbs and diffuses through the matrix into the cleat and eventually flows through the cleat system into a production well or a drainage borehole. Hence, the gas production rate is mainly controlled by the gas diffusivity in the matrix and gas permeability in the cleat system. Moisture in the coal matrix has significant impact on gas adsorption capacity and would also play a key role in desorption and migration of gas. However, how moisture affects gas desorption and diffusion in the coal matrix is still poorly understood. In this work, experimental study is performed to investigate effects of moisture on gas sorption rate for an Australian coal. Coal seam gases, CH{sub 4} and CO{sub 2}, are used in the study. The experimental results show that moisture content in the matrix has significant impact on the gas sorption rate and the impact of moisture content on the diffusion rate is stronger for CH{sub 4} than CO{sub 2}. Moreover, the impact of moisture on gas diffusivity in pores with different size is different, suggested from the modelling results using the bidisperse approach. Furthermore, moisture in coal matrix would cause coal swelling/shrinkage and mechanical properties change that could impact on coal permeability under reservoir conditions. Experimental measurements of coal matrix swelling and Young's modulus on the same coal sample show that matrix moisture content has significant impact on those properties and may have significant implications on coalbed methane recovery and CO{sub 2} storage in coal. 35 refs., 11 figs., 6 tabs.

  13. Method and apparatus for rapid adjustment of process gas inventory in gaseous diffusion cascades

    International Nuclear Information System (INIS)

    1980-01-01

    A method is specified for the operation of a gaseous diffusion cascade wherein electrically driven compressors circulate a process gas through a plurality of serially connected gaseous diffusion stages to establish first and second countercurrently flowing cascade streams of process gas, one of the streams being at a relatively low pressure and enriched in a component of the process gas and the other being at a higher pressure and depleted in the same, and wherein automatic control systems maintain the stage process gas pressures by positioning process gas flow control valve openings at values which are functions of the difference between reference-signal inputs to the systems, and signal inputs proportional to the process gas pressures in the gaseous diffusion stages associated with the systems, the cascade process gas inventory being altered, while the cascade is operating, by simultaneously directing into separate process-gas freezing zones a plurality of substreams derived from one of the first and second streams at different points along the lengths thereof to solidify approximately equal weights of process gas in the zone while reducing the reference-signal inputs to maintain the positions of the control valves substantially unchanged despite the removal of process gas inventory via the substreams. (author)

  14. Soil-gas diffusivity fingerprints of the dual porosity system in fractured limestone

    DEFF Research Database (Denmark)

    Claes, Niels; Chamindu, D.T.K.K.; Jensen, Jacob Birk

    2010-01-01

    processes are mostly limited to hydrogeological (water and solute) transport studies with very poor attention to the gaseous phase transport studies (Kristensen et al. 2010). This study characterizes fractured limestone soils for gas diffusion based on three different gas diffusivity fingerprints. The first...... fingerprint is a two-parameter exponential model, which mainly describes the gas diffusivity in the limestone matrix while taking both fracture connectivity and matrix pore connectivity into account. With the second fingerprint, we make a close observation of the tortuous matrix pore network by means...... of a modified Buckingham (1904) pore connectivity factor (X*). The third fingerprint of the fracture network involves the average angle of diffusion α (Moldrup et al. 2010), a parameter which characterizes the average angle at which the fractures are penetrating the sample....

  15. Large concentration changes due to thermal diffusion effects in gas flow microsystems with temperature gradients

    DEFF Research Database (Denmark)

    Quaade, Ulrich; Johannessen, Tue; Jensen, Søren

    Thermal diffusion, or Sorét diffusion, is shown to cause significant concentration changes and transients in gas flow microsystems with temperature gradients. In a silicon microsystem, a temperature gradient of about 100 oC/mm is measured to produce concentration transients of up to 13.7 % in an ......Thermal diffusion, or Sorét diffusion, is shown to cause significant concentration changes and transients in gas flow microsystems with temperature gradients. In a silicon microsystem, a temperature gradient of about 100 oC/mm is measured to produce concentration transients of up to 13.......7 % in an argon/helium mixture, when the flow is abruptly changed from a high value to a low value. Finite element simulations of the thermal diffusion in a geometry similar to the experimental setup reproduce the measurements....

  16. FORTRAN program for calculating liquid-phase and gas-phase thermal diffusion column coefficients

    International Nuclear Information System (INIS)

    Rutherford, W.M.

    1980-01-01

    A computer program (COLCO) was developed for calculating thermal diffusion column coefficients from theory. The program, which is written in FORTRAN IV, can be used for both liquid-phase and gas-phase thermal diffusion columns. Column coefficients for the gas phase can be based on gas properties calculated from kinetic theory using tables of omega integrals or on tables of compiled physical properties as functions of temperature. Column coefficients for the liquid phase can be based on compiled physical property tables. Program listings, test data, sample output, and users manual are supplied for appendices

  17. Bronchial damage and diffuse alveolar hemorrhage following chlorine gas inhalation: A case report

    OpenAIRE

    Uemura, Kosuke; Isono, Momoko; Kagohashi, Katsunori; Hasegawa, Ryuichi; Satoh, Hiroaki

    2017-01-01

    Chlorine is a toxic inhalant and sources of exposure for individuals include accidental releases of chlorine vapor due to industrial or chemical transportation accidents. Inhalation of a large quantity of gas may cause circulatory and respiratory disorders or even mortality; however, the effects of a small amount of chlorine gas may be asymptomatic. The present case study presents a successfully treated 55‑year‑old male patient exposed to chlorine gas, resulting in bronchial damage and diffus...

  18. Mitosis, diffusible crosslinkers, and the ideal gas law.

    Science.gov (United States)

    Odde, David J

    2015-03-12

    During mitosis, molecular motors hydrolyze ATP to generate sliding forces between adjacent microtubules and form the bipolar mitotic spindle. Lansky et al. now show that the diffusible microtubule crosslinker Ase1p can generate sliding forces between adjacent microtubules, and it does so without ATP hydrolysis. Copyright © 2015 Elsevier Inc. All rights reserved.

  19. Double-diffusive staircases in gas giant planets

    Science.gov (United States)

    Garaud, Pascale; Moll, Ryan; Mankovich, Chris; Fortney, Jonathan

    2017-11-01

    We present Direct Numerical Simulations of the transport of heat and heavy elements across a double-diffusive interface or a double-diffusive staircase, in conditions that are close to those one may expect to find near the boundary between the heavy-element rich core and the hydrogen-helium envelope of giant planets such as Jupiter. We find that the non-dimensional ratio of the buoyancy flux associated with heavy element transport to the buoyancy flux associated with heat transport lies roughly between 0.5 and 1, which is much larger than previous estimates derived by analogy with geophysical double-diffusive convection. We also find that the structure of double-diffusive interfaces at low Prandtl number differs significantly from those observed at high Prandtl number. Using these results, we find that the entire core of Jupiter would be eroded within less than 1Myr assuming that the core-envelope boundary is composed of a single interface, but could be entirely preserved in the presence of a staircase. This is particularly pertinent in the context of present and anticipated results from the Juno mission. Supported by NSF AST 1412951, NASA NNX15AQ62H.

  20. Gas dynamic analysis of the performance of diffuser augmented ...

    Indian Academy of Sciences (India)

    Abstract. A diffuser augmented wind turbine (DAWT) is considered an important application of the advanced concepts to improve the attractiveness of wind energy. The present paper aims to find a theoretical demonstration of. DAWT by using theoretical analysis, mathematical models, assumptions, estimations and ...

  1. Multicomponent Counter-Current Gas Diffusion: Determination of Transport Parameters

    Czech Academy of Sciences Publication Activity Database

    Šolcová, Olga; Schneider, Petr

    2003-01-01

    Roč. 244, č. 1 (2003), s. 1-9 ISSN 0926-860X R&D Projects: GA ČR GA104/01/0546; GA AV ČR IAA4072915 Institutional research plan: CEZ:AV0Z4072921 Keywords : diffusion * mass transfer * transport processes Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.825, year: 2003

  2. Gas dynamic analysis of the performance of diffuser augmented ...

    Indian Academy of Sciences (India)

    A diffuser augmented wind turbine (DAWT) is considered an important application of the advanced concepts to improve the attractiveness of wind energy. The present paper aims to find a theoretical demonstration of DAWT by using theoretical analysis, mathematical models, assumptions, estimations and maximization of ...

  3. Derivation of effective fission gas diffusivities in UO2 from lower length scale simulations and implementation of fission gas diffusion models in BISON

    Energy Technology Data Exchange (ETDEWEB)

    Andersson, Anders David Ragnar [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Pastore, Giovanni [Idaho National Lab. (INL), Idaho Falls, ID (United States); Liu, Xiang-Yang [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Perriot, Romain Thibault [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Tonks, Michael [Idaho National Lab. (INL), Idaho Falls, ID (United States); Stanek, Christopher Richard [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2014-11-07

    This report summarizes the development of new fission gas diffusion models from lower length scale simulations and assessment of these models in terms of annealing experiments and fission gas release simulations using the BISON fuel performance code. Based on the mechanisms established from density functional theory (DFT) and empirical potential calculations, continuum models for diffusion of xenon (Xe) in UO2 were derived for both intrinsic conditions and under irradiation. The importance of the large XeU3O cluster (a Xe atom in a uranium + oxygen vacancy trap site with two bound uranium vacancies) is emphasized, which is a consequence of its high mobility and stability. These models were implemented in the MARMOT phase field code, which is used to calculate effective Xe diffusivities for various irradiation conditions. The effective diffusivities were used in BISON to calculate fission gas release for a number of test cases. The results are assessed against experimental data and future directions for research are outlined based on the conclusions.

  4. Fluid-Rock Characterization and Interactions in NMR Well Logging

    Energy Technology Data Exchange (ETDEWEB)

    George J. Hirasaki; Kishore K. Mohanty

    2005-09-05

    The objective of this report is to characterize the fluid properties and fluid-rock interactions that are needed for formation evaluation by NMR well logging. The advances made in the understanding of NMR fluid properties are summarized in a chapter written for an AAPG book on NMR well logging. This includes live oils, viscous oils, natural gas mixtures, and the relation between relaxation time and diffusivity. Oil based drilling fluids can have an adverse effect on NMR well logging if it alters the wettability of the formation. The effect of various surfactants on wettability and surface relaxivity are evaluated for silica sand. The relation between the relaxation time and diffusivity distinguishes the response of brine, oil, and gas in a NMR well log. A new NMR pulse sequence in the presence of a field gradient and a new inversion technique enables the T{sub 2} and diffusivity distributions to be displayed as a two-dimensional map. The objectives of pore morphology and rock characterization are to identify vug connectivity by using X-ray CT scan, and to improve NMR permeability correlation. Improved estimation of permeability from NMR response is possible by using estimated tortuosity as a parameter to interpolate between two existing permeability models.

  5. A critical comparison of constant and pulsed flow systems exploiting gas diffusion.

    Science.gov (United States)

    Silva, Claudineia Rodrigues; Henriquez, Camelia; Frizzarin, Rejane Mara; Zagatto, Elias Ayres Guidetti; Cerda, Victor

    2016-02-01

    Considering the beneficial aspects arising from the implementation of pulsed flows in flow analysis, and the relevance of in-line gas diffusion as an analyte separation/concentration step, influence of flow pattern in flow systems with in-line gas diffusion was critically investigated. To this end, constant or pulsed flows delivered by syringe or solenoid pumps were exploited. For each flow pattern, two variants involving different interaction times of the donor with the acceptor streams were studied. In the first one, both the acceptor and donor streams were continuously flowing, whereas in the second one, the acceptor was stopped during the gas diffusion step. Four different volatile species (ammonia, ethanol, carbon dioxide and hydrogen sulfide) were selected as models. For the flow patterns and variants studied, the efficiencies of mass transport in the gas diffusion process were compared, and sensitivity, repeatability, sampling frequency and recorded peak shape were evaluated. Analysis of the results revealed that sensitivity is strongly dependent on the implemented variant, and that flow pattern is an important feature in flow systems with in-line gas diffusion. Copyright © 2015 Elsevier B.V. All rights reserved.

  6. Isotopic mass-dependence of noble gas diffusion coefficients inwater

    Energy Technology Data Exchange (ETDEWEB)

    Bourg, I.C.; Sposito, G.

    2007-06-25

    Noble gas isotopes are used extensively as tracers inhydrologic and paleoclimatic studies. These applications requireknowledge of the isotopic mass (m) dependence of noble gas diffusioncoefficients in water (D), which has not been measured but is estimatedusing experimental D-values for the major isotopes along with an untestedrelationship from kinetic theory, D prop m-0.5. We applied moleculardynamics methods to determine the mass dependence of D for four noblegases at 298 K, finding that D prop m-beta with beta<0.2, whichrefutes the kinetic theory model underlying all currentapplications.

  7. Use of diffusion-ordered NMR spectroscopy and HPLC-UV-SPE-NMR to identify undeclared synthetic drugs in medicines illegally sold as phytotherapies.

    Science.gov (United States)

    Silva, Lorena M A; Filho, Elenilson G A; Thomasi, Sérgio S; Silva, Bianca F; Ferreira, Antonio G; Venâncio, Tiago

    2013-09-01

    The informal (and/or illegal) e-commerce of pharmaceutical formulations causes problems that governmental health agencies find hard to control, one of which concerns formulas sold as natural products. The purpose of this work was to explore the advantages and limitations of DOSY and HPLC-UV-SPE-NMR. These techniques were used to identify the components of a formula illegally marketed in Brazil as an herbal medicine possessing anti-inflammatory and analgesic properties. DOSY was able to detect the major components present at higher concentrations. Complete characterization was achieved using HPLC-UV-SPE-NMR, and 1D and 2D NMR analyses enabled the identification of known synthetic drugs. These were ranitidine and a mixture of orphenadrine citrate, piroxicam, and dexamethasone, which are co-formulated in a remedy called Rheumazim that is used to relieve severe pain, but it is prohibited in Brazil because of a lack of sufficient pharmacokinetic and pharmacodynamic information. Copyright © 2013 John Wiley & Sons, Ltd.

  8. Glitters of warm H2 in cold diffuse molecular gas

    NARCIS (Netherlands)

    Falgarone, Edith; Beichman, Chaz; Boulanger, Francois; Combes, Francoise; Gry, Cecile; Helou, Georges; Laureijs, Rene; Pineau Des Forets, Guillaume; Valentijn, Edwin; Verstraete, Laurent

    2004-01-01

    Cold molecular hydrogen, a possibly dominant gas fraction in galaxies, does not radiate due to the symmetry and small moment of inertia of the molecule. The only tracers of cold H2, the rotational lines of CO and dust thermal emission operate only in metal-rich environments. By detecting the lowest

  9. Turbine exhaust diffuser with region of reduced flow area and outer boundary gas flow

    Science.gov (United States)

    Orosa, John

    2014-03-11

    An exhaust diffuser system and method for a turbine engine. The outer boundary may include a region in which the outer boundary extends radially inwardly toward the hub structure and may direct at least a portion of an exhaust flow in the diffuser toward the hub structure. At least one gas jet is provided including a jet exit located on the outer boundary. The jet exit may discharge a flow of gas downstream substantially parallel to an inner surface of the outer boundary to direct a portion of the exhaust flow in the diffuser toward the outer boundary to effect a radially outward flow of at least a portion of the exhaust gas flow toward the outer boundary to balance an aerodynamic load between the outer and inner boundaries.

  10. Fission gas release at high burn-up: beyond the standard diffusion model

    International Nuclear Information System (INIS)

    Landskron, H.; Sontheimer, F.; Billaux, M.R.

    2002-01-01

    At high burn-up standard diffusion models describing the release of fission gases from nuclear fuel must be extended to describe the experimental loss of xenon observed in the fuel matrix of the rim zone. Marked improvements of the prediction of integral fission gas release of fuel rods as well as of radial fission gas profiles in fuel pellets are achieved by using a saturation concept to describe fission gas behaviour not only in the pellet rim but also as an additional fission gas path in the whole pellet. (author)

  11. Development of a primary diffusion source of organic vapors for gas analyzer calibration

    Science.gov (United States)

    Lecuna, M.; Demichelis, A.; Sassi, G.; Sassi, M. P.

    2018-03-01

    The generation of reference mixtures of volatile organic compounds (VOCs) at trace levels (10 ppt-10 ppb) is a challenge for both environmental and clinical measurements. The calibration of gas analyzers for trace VOC measurements requires a stable and accurate source of the compound of interest. The dynamic preparation of gas mixtures by diffusion is a suitable method for fulfilling these requirements. The estimation of the uncertainty of the molar fraction of the VOC in the mixture is a key step in the metrological characterization of a dynamic generator. The performance of a dynamic generator was monitored over a wide range of operating conditions. The generation system was simulated by a model developed with computational fluid dynamics and validated against experimental data. The vapor pressure of the VOC was found to be one of the main contributors to the uncertainty of the diffusion rate and its influence at 10-70 kPa was analyzed and discussed. The air buoyancy effect and perturbations due to the weighing duration were studied. The gas carrier flow rate and the amount of liquid in the vial were found to play a role in limiting the diffusion rate. The results of sensitivity analyses were reported through an uncertainty budget for the diffusion rate. The roles of each influence quantity were discussed. A set of criteria to minimize the uncertainty contribution to the primary diffusion source (25 µg min-1) were estimated: carrier gas flow rate higher than 37.7 sml min-1, a maximum VOC liquid mass decrease in the vial of 4.8 g, a minimum residual mass of 1 g and vial weighing times of 1-3 min. With this procedure a limit uncertainty of 0.5% in the diffusion rate can be obtained for VOC mixtures at trace levels (10 ppt-10 ppb), making the developed diffusion vials a primary diffusion source with potential to become a new reference material for trace VOC analysis.

  12. Effect of growth regulators on 'Brookfield' apple gas diffusion and metabolism under controlled atmosphere storage

    Directory of Open Access Journals (Sweden)

    Auri Brackmann

    2014-05-01

    Full Text Available The objective of this work was to evaluate the effect of growth regulators on gas diffusion and on metabolism of 'Brookfield' apple, and to determine their correlation with quality characteristics of fruit stored in controlled atmosphere. A completely randomized design was used with four replicates. After eight months of storage, the effects of water (control, aminoethoxyvinylglycine (AVG, AVG + ethephon, AVG + naphthaleneacetic acid (NAA, ethephon + NAA, sole NAA, 1-MCP, ethylene absorption by potassium permanganate (ABS, AVG + ABS, and of AVG + 1-MCP - applied at different rates and periods - were evaluated on: gas diffusion rate, ethylene production, respiratory rate, internal ethylene concentration, internal CO2 content, mealiness, and intercellular space. Fruit from the control and sole NAA treatments had the highest mealiness occurrence. Growth regulators significantly changed the gaseous diffusion through the pulp of 'Brookfield' apple, mainly in the treatment AVG + ABS, which kept the highest gas diffusion rate. NAA spraying in the field, with or without another growth regulator, increased ripening metabolism by rising ethylene production and respiration rate, and reduced gas diffusion during shelf life. AVG spraying cannot avoid the ethephon effect during the ripening process, and reduces both the internal space and mealiness incidence, but it is not able to induce ethylene production or to increase respiration rates.

  13. Characterization of thermal, hydraulic, and gas diffusion properties in variably saturated sand grades

    DEFF Research Database (Denmark)

    Deepagoda Thuduwe Kankanamge Kelum, Chamindu; Smits, Kathleen; Ramirez, Jamie

    2016-01-01

    porous media transport properties, key transport parameters such as thermal conductivity and gas diffusivity are particularly important to describe temperature-induced heat transport and diffusion-controlled gas transport processes, respectively. Despite many experimental and numerical studies focusing...... on a specific porous media characteristic, a single study presenting a wide range of important characteristics, together with the best-performing functional relationships, can seldom be found. This study characterized five differently textured sand grades (Accusand no. 12/20, 20/30, 30/40, 40/50, and 50...

  14. Nitrogen-doped carbonaceous catalysts for gas-diffusion cathodes for alkaline aluminum-air batteries

    Science.gov (United States)

    Davydova, E. S.; Atamanyuk, I. N.; Ilyukhin, A. S.; Shkolnikov, E. I.; Zhuk, A. Z.

    2016-02-01

    Cobalt tetramethoxyphenyl porphyrin and polyacrylonitrile - based catalysts for oxygen reduction reaction were synthesized and characterized by means of SEM, TEM, XPS, BET, limited evaporation method, rotating disc and rotating ring-disc electrode methods. Half-cell and Al-air cell tests were carried out to determine the characteristics of gas-diffusion cathodes. Effect of active layer thickness and its composition on the characteristics of the gas-diffusion cathodes was investigated. Power density of 300 mW cm-2 was achieved for alkaline Al-air cell with an air-breathing polyacrylonitrile-based cathode.

  15. Influence of humidification on deterioration of gas diffusivity in catalyst layer on polymer electrolyte fuel cell

    Energy Technology Data Exchange (ETDEWEB)

    Hiramitsu, Y.; Sato, H.; Kobayashi, K.; Hori, M. [Fuel Cell Research Center, Daido University, 10-3 Takiharu-cho, Minami-ku, Nagoya 457-8530 (Japan); Hosomi, H.; Aoki, Y.; Harada, T.; Sakiyama, Y.; Nakagawa, Y. [Toray Research Center Inc., 3-3-7 Sonoyama, Otsu, Shiga 520-8567 (Japan)

    2010-01-15

    The effect of water on polymer electrolyte fuel cell degradation was examined with humidity as a parameter. Polymer electrolyte fuel cells were subjected to long-term operation of 10 000 h to examine the relation between decline in cell voltage and degradation of the catalyst layers or gas diffusion layers. The diffusion overpotential increased during long-term operation at relatively high humidification of 81% RH, but only in the catalyst layer and not in the gas diffusion layer. At low humidification of 52% RH, the increase in diffusion overpotential was small, indicating that the increase was more likely to occur under high humidification. Post-analysis of the catalyst layer revealed that the membrane electrode assembly had increased diffusion overpotential during operation under high humidification, as a result of the sharp decline in porosity. The increase of diffusion overpotential in the catalyst layer was also investigated by the observation of the degradation due to the oxidation of the Pt-carbon supports. However, it was found that the oxidation of carbon support which had increased diffusion overpotential was small. (author)

  16. 1H diffusion-weighted, 13C and 17O NMR spectroscopy: methodological developments to study brain structure and function in vivo

    International Nuclear Information System (INIS)

    Najac, Chloe

    2014-01-01

    Magnetic Resonance Spectroscopy is a unique tool that allows acquiring brain biochemical profiles and quantifying many cellular parameters in vivo. During this thesis, three different techniques have been developed: (i) 1 H diffusion-weighted, (ii) carbon-13 ( 13 C) and (iii) oxygen-17 ( 17 O) NMR spectroscopy to study brain structure and function in vivo. Brain metabolites are cell-specific endogenous tracers of the intracellular space whose translational diffusion depends on many cellular properties (e.g.: cytosol viscosity and intracellular restriction). Studying the variation of the diffusion coefficient (ADC) as a function of diffusion time (td) allows untangling and quantifying those parameters. In particular, measuring metabolites ADC at long diffusion times gives information about the metabolites compartmentation in cells. In a first study, we measured neuronal and astrocytic metabolites ADC over a large time window (from 80 ms to 1 s) in a large voxel in the macaque brain. No dependence of all metabolites ADC on td was observed suggesting that metabolites primarily diffuse in neuronal (dendrites and axons) and astrocytic processes and are not confined inside the cell body and organelles (nucleus, mitochondria). The large size of the voxel, due to low detection sensitivity, did not allow us to study metabolites compartmentation in pure white (WM) and grey matters (GM). Therefore, we performed a new study in the human brain. Results showed that in both WM and GM metabolites diffuse in fiber-like cell structure. Finally, using an even larger time window (up to 2 s) in the macaque brain and analytical models mimicking the cell structure, we estimated the length of neuronal (∼110 μm) and astrocytic (∼70 μm) processes. ATP (adenosine triphosphate), the main source of energy in the organism, is produced thanks to glucose oxidation inside the mitochondria. 13 C NMR spectroscopy is a well-known technique to study brain energy metabolism and can be used to

  17. He-3 NMR: from free gas to its encapsulation in fullerene

    Czech Academy of Sciences Publication Activity Database

    Kupka, T.; Stachów, M.; Stobinski, L.; Kaminský, Jakub

    2013-01-01

    Roč. 51, č. 8 (2013), s. 463-468 ISSN 0749-1581 R&D Projects: GA ČR GAP208/11/0105 Grant - others:AV ČR(CZ) M200551205 Institutional support: RVO:61388963 Keywords : He-3 NMR * GIAO * molecular modeling * ab initio * fullerene * SWCNT Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.559, year: 2013

  18. High Speed, Low Cost Fabrication of Gas Diffusion Electrodes for Membrane Electrode Assemblies

    Energy Technology Data Exchange (ETDEWEB)

    DeCastro, Emory S.; Tsou, Yu-Min; Liu, Zhenyu

    2013-09-20

    Fabrication of membrane electrode assemblies (MEAs) depends on creating inks or pastes of catalyst and binder, and applying this suspension to either the membrane (catalyst coated membrane) or gas diffusion media (gas diffusion electrode) and respectively laminating either gas diffusion media or gas diffusion electrodes (GDEs) to the membrane. One barrier to cost effective fabrication for either of these approaches is the development of stable and consistent suspensions. This program investigated the fundamental forces that destabilize the suspensions and developed innovative approaches to create new, highly stable formulations. These more concentrated formulations needed fewer application passes, could be coated over longer and wider substrates, and resulted in significantly lower coating defects. In March of 2012 BASF Fuel Cell released a new high temperature product based on these advances, whereby our customers received higher performing, more uniform MEAs resulting in higher stack build yields. Furthermore, these new materials resulted in an “instant” increase in capacity due to higher product yields and material throughput. Although not part of the original scope of this program, these new formulations have also led us to materials that demonstrate equivalent performance with 30% less precious metal in the anode. This program has achieved two key milestones in DOE’s Manufacturing R&D program: demonstration of processes for direct coating of electrodes and continuous in-line measurement for component fabrication.

  19. Market diffusion, technological learning, and cost-benefit dynamics of condensing gas boilers in the Netherlands

    NARCIS (Netherlands)

    Weiss, M.; Dittmar, L.; Junginger, H.M.; Patel, M.K.; Blok, K.

    2009-01-01

    High costs often prevent the market diffusion of novel and efficient energy technologies. Monitoring cost and price decline for these technologies is thus important in order to establish effective energy policy. Here, we present experience curves and cost-benefit analyses for condensing gas boilers

  20. Phase Equilibrium and Diffusion of Solvents in Polybutadiene: A Capillary-Column Inverse Gas Chromatography Study

    NARCIS (Netherlands)

    Cai, W.D.; Ramesh, N.; Tihminlioglu, F.; Danner, R.P.; Duda, J.L.; de Haan, A.B.

    2002-01-01

    The capillary-column inverse gas chromatography method was used to measure the diffusion and partition coefficients of ethylbenzene, styrene, and acrylonitrile in polybutadiene (PBD) at infinite dilution of the solvents. Experiments were performed over a temperature range of 50-125 °C. At

  1. New Apparatus for Gas Permeability, Diffusivity and Solubility Assessing in Dense Polymeric Membranes

    Czech Academy of Sciences Publication Activity Database

    Petričkovič, Roman; Setničková, Kateřina; Uchytil, Petr

    2011-01-01

    Roč. 369, 1-2 (2011), s. 466-473 ISSN 0376-7388 R&D Projects: GA MŠk ME 889 Institutional research plan: CEZ:AV0Z40720504 Keywords : sorption * diffusion * gas permeability Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.850, year: 2011

  2. Tomographic Imaging of Water Injection and Withdrawal in PEMFC Gas Diffusion Layers

    Energy Technology Data Exchange (ETDEWEB)

    McGill U; Gostick, J. T.; Gunterman, H. P.; Weber, A. Z.; Newman, J. S.; Kienitz, B. L.; MacDowell, A. A.

    2010-06-25

    X-ray computed tomography was used to visualize the water configurations inside gas diffusion layers for various applied capillary pressures, corresponding to both water invasion and withdrawal. A specialized sample holder was developed to allow capillary pressure control on the small-scale samples required. Tests were performed on GDL specimens with and without hydrophobic treatments.

  3. A microscopic model for gas diffusion dynamics in a [NiFe]-hydrogenase.

    Science.gov (United States)

    Wang, Po-hung; Best, Robert B; Blumberger, Jochen

    2011-05-07

    We describe and apply a microscopic model for the calculation of gas diffusion rates in a [NiFe]-hydrogenase. This enzyme has attracted much interest for use as a H(2) oxidising catalyst in biofuel cells, but a major problem is their inhibition by CO and O(2). In our model, the diffusive hopping of gas molecules in the protein interior is coarse grained using a master equation approach with transition rates estimated from equilibrium and non-equilibrium pulling simulations. Propagating the rate matrix in time, we find that the probability for a gas molecule to reach the enzyme active site follows a mono-exponential increase. Fits to a phenomenological rate law give an effective diffusion rate constant for CO that is in very good agreement with experimental measurements. We find that CO prefers to move along the canonical 'hydrophobic' main channel towards the active site, in contrast to O(2) and H(2), which were previously shown to explore larger fractions of the protein. Differences in the diffusion of the three gases are discussed in light of recent efforts to engineer a gas selectivity filter in the enzyme. This journal is © the Owner Societies 2011

  4. Reduction of molecular gas diffusion through gaskets in leaf gas exchange cuvettes by leaf‐mediated pores

    DEFF Research Database (Denmark)

    Boesgaard, Kristine Stove; Mikkelsen, Teis Nørgaard; Ro‐Poulsen, Helge

    2013-01-01

    There is an ongoing debate on how to correct leaf gas exchange measurements for the unavoidable diffusion leakage that occurs when measurements are done in non‐ambient CO2 concentrations. In this study, we present a theory on how the CO2 diffusion gradient over the gasket is affected by leaf......‐mediated pores (LMP) and how LMP reduce diffusive exchange across the gaskets. Recent discussions have so far neglected the processes in the quasi‐laminar boundary layer around the gasket. Counter intuitively, LMP reduce the leakage through gaskets, which can be explained by assuming that the boundary layer...... at the exterior of the cuvette is enriched with air from the inside of the cuvette. The effect can thus be reduced by reducing the boundary layer thickness. The theory clarifies conflicting results from earlier studies. We developed leaf adaptor frames that eliminate LMP during measurements on delicate plant...

  5. Ballistic and diffusive dynamics in a two-dimensional ideal gas of macroscopic chaotic Faraday waves.

    Science.gov (United States)

    Welch, Kyle J; Hastings-Hauss, Isaac; Parthasarathy, Raghuveer; Corwin, Eric I

    2014-04-01

    We have constructed a macroscopic driven system of chaotic Faraday waves whose statistical mechanics, we find, are surprisingly simple, mimicking those of a thermal gas. We use real-time tracking of a single floating probe, energy equipartition, and the Stokes-Einstein relation to define and measure a pseudotemperature and diffusion constant and then self-consistently determine a coefficient of viscous friction for a test particle in this pseudothermal gas. Because of its simplicity, this system can serve as a model for direct experimental investigation of nonequilibrium statistical mechanics, much as the ideal gas epitomizes equilibrium statistical mechanics.

  6. Compilation and evaluation of gas phase diffusion coefficients of reactive trace gases in the atmosphere: volume 1. Inorganic compounds

    Science.gov (United States)

    Tang, M. J.; Cox, R. A.; Kalberer, M.

    2014-09-01

    Diffusion of gas molecules to the surface is the first step for all gas-surface reactions. Gas phase diffusion can influence and sometimes even limit the overall rates of these reactions; however, there is no database of the gas phase diffusion coefficients of atmospheric reactive trace gases. Here we compile and evaluate, for the first time, the diffusivities (pressure-independent diffusion coefficients) of atmospheric inorganic reactive trace gases reported in the literature. The measured diffusivities are then compared with estimated values using a semi-empirical method developed by Fuller et al. (1966). The diffusivities estimated using Fuller's method are typically found to be in good agreement with the measured values within ±30%, and therefore Fuller's method can be used to estimate the diffusivities of trace gases for which experimental data are not available. The two experimental methods used in the atmospheric chemistry community to measure the gas phase diffusion coefficients are also discussed. A different version of this compilation/evaluation, which will be updated when new data become available, is uploaded online (google.com/site/mingjintang/home/diffusion"target="_blank">https://sites.google.com/site/mingjintang/home/diffusion).

  7. Liquid- and Gas-Phase Diffusion of Ferrocene in Thin Films of Metal-Organic Frameworks

    Directory of Open Access Journals (Sweden)

    Wencai Zhou

    2015-06-01

    Full Text Available The mass transfer of the guest molecules in nanoporous host materials, in particular in metal-organic frameworks (MOFs, is among the crucial features of their applications. By using thin surface-mounted MOF films in combination with a quartz crystal microbalance (QCM, the diffusion of ferrocene vapor and of ethanolic and hexanic ferrocene solution in HKUST-1 was investigated. For the first time, liquid- and gas-phase diffusion in MOFs was compared directly in the identical sample. The diffusion coefficients are in the same order of magnitude (~10−16 m2·s−1, whereas the diffusion coefficient of ferrocene in the empty framework is roughly 3-times smaller than in the MOF which is filled with ethanol or n-hexane.

  8. Shear viscosity and spin-diffusion coefficient of a two-dimensional Fermi gas

    DEFF Research Database (Denmark)

    Bruun, Georg

    2012-01-01

    Using kinetic theory, we calculate the shear viscosity and the spin-diffusion coefficient as well as the associated relaxation times for a two-component Fermi gas in two dimensions, as a function of temperature, coupling strength, polarization, and mass ratio of the two components. It is demonstr......Using kinetic theory, we calculate the shear viscosity and the spin-diffusion coefficient as well as the associated relaxation times for a two-component Fermi gas in two dimensions, as a function of temperature, coupling strength, polarization, and mass ratio of the two components....... It is demonstrated that the minimum value of the viscosity decreases with the mass ratio, since Fermi blocking becomes less efficient. We furthermore analyze recent experimental results for the quadrupole mode of a two-dimensional gas in terms of viscous damping, obtaining a qualitative agreement using no fitting...

  9. Three-dimensional, time-dependent modeling of neutral gas diffusion in a nonuniform, chemically reactive atmosphere

    International Nuclear Information System (INIS)

    Bernhardt, P.A.

    1979-01-01

    A time-varying model of neutral gas expansion in a nonuniform environment is developed. The model includes diffusion in a multicomponent atmosphere, chemical reactions between the diffusing gases and the atmosphere, thermal diffusion effects, and transport due to altitude-dependent winds. The three-dimensional diffusion equation governing the neutral gas flow is solved numerically using Fourier transform and finite difference techniques. Examples of H 2 , OH, and CO 2 diffusion illustrate the effects of chemical reactions and wind shears on the neutral expansion. The model may be applied to chemical releases which produce ionospheric depletions or luminescent trails

  10. DYNAMIC S0 GALAXIES. II. THE ROLE OF DIFFUSE HOT GAS

    International Nuclear Information System (INIS)

    Li Jiangtao; Chen Yang; Daniel Wang, Q.; Li Zhiyuan

    2011-01-01

    Cold gas loss is thought to be important in star formation quenching and morphological transition during the evolution of S0 galaxies. In high-density environments, this gas loss can be achieved via many external mechanisms. However, in relatively isolated environments, where these external mechanisms cannot be efficient, the gas loss must then be dominated by some internal processes. We have performed Chandra analysis of hot gas in five nearby isolated S0 galaxies, based on the quantitative subtraction of various stellar contributions. We find that all the galaxies studied in the present work are X-ray faint, with the luminosity of the hot gas (L X ) typically accounting for ∼ X at the low-mass end (typically with K-band luminosity L K ∼ 11 L sun,K ). However, at the high-mass end, S0 galaxies tend to have significantly lower L X than elliptical galaxies of the same stellar masses, as already shown in previous observational and theoretical works. We further discuss the potential relationship of the diffuse X-ray emission with the cold (atomic and molecular) gas content in the S0 and elliptical galaxies included in our study. We find that L X /L 2 K tends to correlate positively with the total cold gas mass (M H 2 +H i ) for cold-gas-poor galaxies with M H 2 +H i ∼ 8 M sun , while they anti-correlate with each other for cold-gas-rich galaxies. This cold-hot gas relationship can be explained in a scenario of early-type galaxy evolution, with the leftover cold gas from the precursor star-forming galaxy mainly removed by the long-lasting Type Ia supernova (SN) feedback. The two different trends for cold-gas-rich and cold-gas-poor galaxies may be the results of the initial fast decreasing SN rate and the later fast decreasing mass loading to hot gas, respectively.

  11. Application of diffusion-edited and solvent suppression ¹H-NMR to the direct analysis of markers in valerian-hop liquid herbal products.

    Science.gov (United States)

    Prieto, Jose M; Mellinas-Gomez, Maria; Zloh, Mire

    2016-01-01

    The rising trend to consume herbal products for the treatment and/or prevention of minor ailments together with their chemical and pharmacological complexity means there is an urgent need to develop new approaches to their quality and stability. This work looks at the application of one-dimensional diffusion-edited (1)H-NMR spectroscopy (1D DOSY) and (1)H-NMR with suppression of the ethanol and water signals to the characterisation of quality and stability markers in multi-component herbal medicines/food supplements. The experiments were performed with commercial tinctures of Valeriana officinalis L. (valerian), expired and non-expired, as well as its combination with Hummulus lupulus L. (hops), which is one of the most popular blends of relaxant herbs. These techniques did not require purification or evaporation of components for the qualitative analysis of the mixture, but only the addition of D2 O and TSP. The best diagnostic signals were found at δ 7 ppm (H-11, valerenic acid), δ 4.2 ppm (H-1, hydroxyvalerenic acid) and δ 1.5-1.8 ppm (methyl groups in prenylated moieties, α-acids/prenylated flavones). This work concludes on the potential value of 1D DOSY (1)H-NMR to provide additional assurance of quality in complex natural mixtures. Copyright © 2016 John Wiley & Sons, Ltd.

  12. Performance Evaluation and Durability Enhancement of FEP-Based Gas Diffusion Media for PEM Fuel Cells

    Directory of Open Access Journals (Sweden)

    Saverio Latorrata

    2017-12-01

    Full Text Available Nowadays, micro-porous layers (MPLs for polymer electrolyte membrane fuel cells (PEMFCs are commonly deposited onto gas diffusion layer (GDL substrates starting from hydrophobic carbon-based dispersions. In this work, different quantities of fluorinated ethylene propylene (FEP, a fluorinated copolymer proven to be superior to polytetrafluoroethylene (PTFE for a proper water management, were used to make both GDL and MPL hydrophobic. After the identification of the optimal amount of FEP, carboxymethylcellulose (CMC was also added to gas diffusion media (GDM to reduce overall ohmic resistance of the whole device and adhesion of MPLs to GDLs. Ex-situ chemical and mechanical accelerated stress tests (ASTs were carried out to accelerate degradation of materials aiming to assess their durability. The highest quantity of FEP in GDMs led to the best electrochemical and diffusive properties. The presence of CMC allowed reducing overall ohmic resistance due to a better electrolyte hydration. A satisfactory durability was proven since the fundamental properties related to gas diffusion medium, such as wettability, ohmic and mass transport resistances, revealed to be quasi-stable upon ASTs.

  13. Enhanced nitrogen removal in single-chamber microbial fuel cells with increased gas diffusion areas

    KAUST Repository

    Yan, Hengjing

    2012-11-23

    Single-chamber microbial fuel cells (MFCs) with nitrifiers pre-enriched at the air cathodes have previously been demonstrated as a passive strategy for integrating nitrogen removal into current-generating bioelectrochemical systems. To further define system design parameters for this strategy, we investigated in this study the effects of oxygen diffusion area and COD/N ratio in continuous-flow reactors. Doubling the gas diffusion area by adding an additional air cathode or a diffusion cloth significantly increased the ammonia and COD removal rates (by up to 115% and 39%), ammonia removal efficiency (by up to 134%), the cell voltage and cathode potentials, and the power densities (by a factor of approximately 2). When the COD/N ratio was lowered from 13 to 3, we found up to 244% higher ammonia removal rate but at least 19% lower ammonia removal efficiency. An increase of COD removal rate by up to 27% was also found when the COD/N ratio was lowered from 11 to 3. The Coulombic efficiency was not affected by the additional air cathode, but decreased by an average of 11% with the addition of a diffusion cloth. Ammonia removal by assimilation was also estimated to understand the ammonia removal mechanism in these systems. These results showed that the doubling of gas diffusion area enhanced N and COD removal rates without compromising electrochemical performance. © 2012 Wiley Periodicals, Inc.

  14. Bronchial damage and diffuse alveolar hemorrhage following chlorine gas inhalation: A case report.

    Science.gov (United States)

    Uemura, Kosuke; Isono, Momoko; Kagohashi, Katsunori; Hasegawa, Ryuichi; Satoh, Hiroaki

    2017-11-01

    Chlorine is a toxic inhalant and sources of exposure for individuals include accidental releases of chlorine vapor due to industrial or chemical transportation accidents. Inhalation of a large quantity of gas may cause circulatory and respiratory disorders or even mortality; however, the effects of a small amount of chlorine gas may be asymptomatic. The present case study presents a successfully treated 55-year-old male patient exposed to chlorine gas, resulting in bronchial damage and diffuse alveolar hemorrhage. Endobronchial and alveolar injuries were evaluated by direct observation using fiberoptic bronchoscopy (FB) and analyzing bronchoalveolar lavage fluid obtained by FB. Taking a precise medical history from the patient is crucial to correctly diagnose toxic gas inhalation. In addition, a timely and proper evaluation with chest imaging as well as FB may provide useful clinical information. Therefore, clinicians should consider performing FB if the circumstances permit.

  15. Rotating diffuser for pressure recovery in a steam cooling circuit of a gas turbine

    Science.gov (United States)

    Eldrid, Sacheverel Q.; Salamah, Samir A.; DeStefano, Thomas Daniel

    2002-01-01

    The buckets of a gas turbine are steam-cooled via a bore tube assembly having concentric supply and spent cooling steam return passages rotating with the rotor. A diffuser is provided in the return passage to reduce the pressure drop. In a combined cycle system, the spent return cooling steam with reduced pressure drop is combined with reheat steam from a heat recovery steam generator for flow to the intermediate pressure turbine. The exhaust steam from the high pressure turbine of the combined cycle unit supplies cooling steam to the supply conduit of the gas turbine.

  16. Effects of diffuse radiation on canopy gas exchange processes in a forest ecosystem

    Science.gov (United States)

    Knohl, Alexander; Baldocchi, Dennis D.

    2008-06-01

    Forest ecosystems across the globe show an increase in ecosystem carbon uptake efficiency under conditions with high fraction of diffuse radiation. Here, we combine eddy covariance flux measurements at a deciduous temperate forest in central Germany with canopy-scale modeling using the biophysical multilayer model CANVEG to investigate the impact of diffuse radiation on various canopy gas exchange processes and to elucidate the underlying mechanisms. Increasing diffuse radiation enhances canopy photosynthesis by redistributing the solar radiation load from light saturated sunlit leaves to nonsaturated shade leaves. Interactions with atmospheric vapor pressure deficit and reduced leaf respiration are only of minor importance to canopy photosynthesis. The response strength of carbon uptake to diffuse radiation depends on canopy characteristics such as leaf area index and leaf optical properties. Our model computations shows that both canopy photosynthesis and transpiration increase initially with diffuse fraction, but decrease after an optimum at a diffuse fraction of 0.45 due to reduction in global radiation. The initial increase in canopy photosynthesis exceeds the increase in transpiration, leading to a rise in water-use-efficiency. Our model predicts an increase in carbon isotope discrimination with water-use-efficiency resulting from differences in the leaf-to-air vapor pressure gradient and atmospheric vapor pressure deficit. This finding is in contrast to those predicted with simple big-leaf models that do not explicitly calculate leaf energy balance. At an annual scale, we estimate a decrease in annual carbon uptake for a potential increase in diffuse fraction, since diffuse fraction was beyond the optimum for 61% of the data.

  17. Safeguards considerations for uranium enrichment facilities, as applied to gas centrifuge and gaseous diffusion facilities

    International Nuclear Information System (INIS)

    1979-03-01

    The goals and objectives of IAEA safeguards as they are understood by the authors based on published documents are reviewed. These goals are then used to derive safeguards concerns, diversion strategies, and potential safeguards measures for four base cases, the production of highly enriched uranium (HEU) at a diffusion plant, the diversion of low enriched uranium (LEU) at a diffusion plant, the diversion of HEU at a gas centrifuge plant, and the diversion of LEU at a gas centrifuge plant. Tables of estimated capabilities are given for each case, under the assumption that the inspector would have access: to the cascade perimeter at or after the start of operations, to the cascade perimeter throughout construction and operation, to the cascade perimeter during operation plus a one-time access to the cascade itself, to the cascade during construction but only its perimeter during operation, or to the cascade itself during construction and operation

  18. Heterogeneous catalysis on solids of gases diffusing through a liquid layer, studied by inverse gas chromatography.

    Science.gov (United States)

    Kapolos, John; Katsanos, Nicholas A

    2002-11-15

    Physicochemical parameters for heterogeneous catalytic reactions when the catalytic bed was under a liquid phase have been determined, using a non-linear adsorption isotherm by the reversed-flow version of inverse gas chromatography (RF-GC). The mathematical analysis developed in heterogeneous catalysis, mass transfer across gas-liquid boundaries, and diffusion coefficients of gases in liquids was associated with a non-linear adsorption isotherm to find the relevant equations pertaining to the problem. These equations were then used to calculate the adsorption/desorption rate constant, the rate constant for the first-order catalytic reaction and the equilibrium constant for the non-linear adsorption isotherm. The diffusion coefficients of the reactant in the liquid and gaseous phases and the partition coefficients for the distribution of the reactant between the gaseous and liquid phase were also determined.

  19. Modeling of Gas Diffusion in Ni/YSZ Electrodes in CO2 and Co-electrolysis

    DEFF Research Database (Denmark)

    Duhn, Jakob Dragsbæk; Jensen, Anker Degn; Wedel, Stig

    2017-01-01

    to prevent its formation. For prediction of carbon formation, the gas composition in the electrode must be known. In this work, the diffusion of gases in the electrode has been modeled with the dusty gas model in 1 and 2 dimensions, and the effect of tortuosity, porosity, temperature, electrode thickness......Carbon formation may occur during CO2 and CO2/H2O electrolysis using solid oxide electrolyzer cells due to the Boudouard reaction (2CO →  CO2 + C(s)). Formed carbon may disintegrate the cell structure and it is therefore of importance to be able to predict when carbon is formed, and take actions......, pore diameter, current density, pitch and rib width has been investigated. It is shown that diffusion limitations on reactant/product transport may lead to carbon formation. The parameters describing the microstructure and the dimensions of the cathode channels and interconnect ribs are found to have...

  20. The rate of diffusion into advanced gas cooled reactor moderator bricks: an equivalent cylinder model

    International Nuclear Information System (INIS)

    Kyte, W.S.

    1980-01-01

    The graphite moderator bricks which make up the moderator of an advanced gas-cooled nuclear reactor (AGR) are of many different and complex shapes. Many physico-chemical processes that occur within these porous bricks include a diffusional step and thus to model these processes it is necessary to solve the diffusion equation (with chemical reaction) in a porous medium of complex shape. A finite element technique is applied to calculating the rate at which nitrogen diffuses into and out of the porous moderator graphite during operation of a shutdown procedure for an AGR. However, the finite element method suffers from several disadvantages that undermine its general usefulness for calculating rates of diffusion in AGR moderator cores. A model which overcomes some of these disadvantages is presented (the equivalent cylinder model) and it is shown that this gives good results for a variety of different boundary and initial conditions

  1. Abnormal Gas Diffusing Capacity and Portosystemic Shunt in Patients With Chronic Liver Disease

    OpenAIRE

    Park, Moon-Seung; Lee, Min-Ho; Park, Yoo-Sin; Kim, Shin-Hee; Kwak, Min-Jung; Kang, Ju-Seop

    2012-01-01

    Background Pulmonary dysfunctions including the hepatopulmonary syndrome and portosystemic shunt are important complications of hepatic cirrhosis. To investigate the severity and nature of abnormal gas diffusing capacity and its correlation to portosystemic shunt in patients with chronic liver disease. Methods Forty-four patients with chronic liver disease (15 chronic active hepatitis (CAH), 16 Child-Pugh class A, and 13 Child-Pugh class B) without other diseases history were enrolled in the ...

  2. Instability of interaction network for interstellar gas and interstellar diffusive energy in the shear field

    International Nuclear Information System (INIS)

    Fujimoto, Mitsuaki; Mizuno, Takao.

    1987-01-01

    A model network for interaction between interstellar gas and interstellar diffusive energy is considered in the shear field. Local linearized equations are derived around the equilibrium states which are realized when no shear field exists. A wavy perturbation is followed by employing the WKB method. It is concluded that the shear field brings about various unstable waves depending on their configuration. A great variety of observed dark and luminous pattern in spiral galaxies could be understood as related to these waves. (author)

  3. Preparation of gas diffusion electrodes for high temperature PEM-type fuel cells

    Czech Academy of Sciences Publication Activity Database

    Mazur, P.; Mališ, J.; Paidar, M.; Schauer, Jan; Bouzek, K.

    2010-01-01

    Roč. 14, 1-3 (2010), s. 101-105 ISSN 1944-3994. [PERMEA 2009. Prague, 07.06.2009-11.06.2009] R&D Projects: GA ČR GA203/08/0465 Institutional research plan: CEZ:AV0Z40500505 Keywords : gas diffusion electrode * polymer electrolyte * ionic liquid Subject RIV: CD - Macromolecular Chemistry Impact factor: 0.752, year: 2010

  4. Performance of gas diffusion layer from coconut waste for proton exchange membrane fuel cell

    Science.gov (United States)

    Widodo, H.; Destyorini, F.; Insiyanda, D. R.; Subhan, A.

    2017-04-01

    The performance of Gas Diffusion Layer (GDL) synthesized from coconut waste. Gas Diffusion Layer (GDL), produced from coconut waste, as a part of Proton Exchange Membrane Fuel Cell (PEMFC) component, has been characterized. In order to know the performance, the commercial products were used as the remaining parts of PEMFC. The proposed GDL possesses 69% porosity for diffusion of Hydrogen fuel and Oxygen, as well as for transporting electron. With the electrical conductivity of 500 mS.cm-1, it also has hydrophobic properties, which is important to avoid the reaction with water, with the contact angle of 139°. The 5 × 5 cm2 GDL paper was co-assembled with the catalyst, Nafion membrane, bipolar plate, current collector, end plate to obtain single Stack PEMFC. The performance was examined by flowing fuel and gas with the flow rate of 500 and 1000 ml.min-1, respectively, and analyse the I-V polarization curve. The measurements were carried out at 30, 35, and 40°C for 5 cycles to ensure the repeatability. The results shows that the current density and the maximum power density reaches 203 mA.cm-2 and 143 mW.cm-2, respectively, with a given voltage 0.6 V, at 40°C.

  5. Multiphase imaging of gas flow in a nanoporous material using remote-detection NMR.

    Science.gov (United States)

    Harel, Elad; Granwehr, Josef; Seeley, Juliette A; Pines, Alex

    2006-04-01

    Pore structure and connectivity determine how microstructured materials perform in applications such as catalysis, fluid storage and transport, filtering or as reactors. We report a model study on silica aerogel using a time-of-flight magnetic resonance imaging technique to characterize the flow field and explain the effects of heterogeneities in the pore structure on gas flow and dispersion with 129Xe as the gas-phase sensor. The observed chemical shift allows the separate visualization of unrestricted xenon and xenon confined in the pores of the aerogel. The asymmetrical nature of the dispersion pattern alludes to the existence of a stationary and a flow regime in the aerogel. An exchange time constant is determined to characterize the gas transfer between them. As a general methodology, this technique provides insights into the dynamics of flow in porous media where several phases or chemical species may be present.

  6. Lyman-continuum leakage as dominant source of diffuse ionized gas in the Antennae galaxy

    Science.gov (United States)

    Weilbacher, Peter M.; Monreal-Ibero, Ana; Verhamme, Anne; Sandin, Christer; Steinmetz, Matthias; Kollatschny, Wolfram; Krajnović, Davor; Kamann, Sebastian; Roth, Martin M.; Erroz-Ferrer, Santiago; Marino, Raffaella Anna; Maseda, Michael V.; Wendt, Martin; Bacon, Roland; Dreizler, Stefan; Richard, Johan; Wisotzki, Lutz

    2018-04-01

    The Antennae galaxy (NGC 4038/39) is the closest major interacting galaxy system and is therefore often studied as a merger prototype. We present the first comprehensive integral field spectroscopic dataset of this system, observed with the MUSE instrument at the ESO VLT. We cover the two regions in this system which exhibit recent star formation: the central galaxy interaction and a region near the tip of the southern tidal tail. In these fields, we detect HII regions and diffuse ionized gas to unprecedented depth. About 15% of the ionized gas was undetected by previous observing campaigns. This newly detected faint ionized gas is visible everywhere around the central merger, and shows filamentary structure. We estimate diffuse gas fractions of about 60% in the central field and 10% in the southern region. We are able to show that the southern region contains a significantly different population of HII regions, showing fainter luminosities. By comparing HII region luminosities with the HST catalog of young star clusters in the central field, we estimate that there is enough Lyman-continuum leakage in the merger to explain the amount of diffuse ionized gas that we detect. We compare the Lyman-continuum escape fraction of each HII region against emission line ratios that are sensitive to the ionization parameter. While we find no systematic trend between these properties, the most extreme line ratios seem to be strong indicators of density bounded ionization. Extrapolating the Lyman-continuum escape fractions to the southern region, we conclude that simply from the comparison of the young stellar populations to the ionized gas there is no need to invoke other ionization mechanisms than Lyman-continuum leaking HII regions for the diffuse ionized gas in the Antennae. FITS images and Table of HII regions are available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (http://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/611/A95 and at http://muse-vlt.eu/science/antennae/

  7. Investigation of gas-phase decontamination of internally radioactively contaminated gaseous diffusion process equipment and piping

    International Nuclear Information System (INIS)

    Bundy, R.D.; Munday, E.B.

    1991-01-01

    Construction of the gaseous diffusion plants (GDPs) was begun during World War 2 to produce enriched uranium for defense purposes. These plants, which utilized UF 6 gas, were used primarily for this purpose through 1964. From 1959 through 1968, production shifted primarily to uranium enrichment to supply the nuclear power industry. Additional UF 6 -handling facilities were built in feed and fuel-processing plants associated with the uranium enrichment process. Two of the five process buildings at Oak ridge were shut down in 1964. Uranium enrichment activities at Oak Ridge were discontinued altogether in 1985. In 1987, the Department of Energy (DOE) decided to proceed with a permanent shutdown of the Oak Ridge Gaseous Diffusion Plant (ORGDP). DOE intends to begin decommissioning and decontamination (D ampersand D) of ORGDP early in the next century. The remaining two GDPs are expected to be shut down during the next 10 to 40 years and will also require D ampersand D, as will the other UF 6 -handling facilities. This paper presents an investigation of gas- phase decontamination of internally radioactively contaminated gaseous diffusion process equipment and piping using powerful fluorinating reagents that convert nonvolatile uranium compounds to volatile UF 6 . These reagents include ClF 3 , F 2 , and other compounds. The scope of D ampersand D at the GDPs, previous work of gas-phase decontamination, four concepts for using gas-phase decontamination, plans for further study of gas-phase decontamination, and the current status of this work are discussed. 13 refs., 15 figs

  8. Solid-State 13C NMR Spectroscopy Applied to the Study of Carbon Blacks and Carbon Deposits Obtained by Plasma Pyrolysis of Natural Gas

    Directory of Open Access Journals (Sweden)

    Jair C. C. Freitas

    2016-01-01

    Full Text Available Solid-state 13C nuclear magnetic resonance (NMR spectroscopy was used in this work to analyze the physical and chemical properties of plasma blacks and carbon deposits produced by thermal cracking of natural gas using different types of plasma reactors. In a typical configuration with a double-chamber reactor, N2 or Ar was injected as plasma working gas in the first chamber and natural gas was injected in the second chamber, inside the arc column. The solid residue was collected at different points throughout the plasma apparatus and analyzed by 13C solid-state NMR spectroscopy, using either cross polarization (CP or direct polarization (DP, combined with magic angle spinning (MAS. The 13C CP/MAS NMR spectra of a number of plasma blacks produced in the N2 plasma reactor showed two resonance bands, broadly identified as associated with aromatic and aliphatic groups, with indication of the presence of oxygen- and nitrogen-containing groups in the aliphatic region of the spectrum. In contrast to DP experiments, only a small fraction of 13C nuclei in the plasma blacks are effectively cross-polarized from nearby 1H nuclei and are thus observed in spectra recorded with CP. 13C NMR spectra are thus useful to distinguish between different types of carbon species in plasma blacks and allow a selective study of groups spatially close to hydrogen in the material.

  9. Water Saturation Relations and Their Diffusion-Limited Equilibration in Gas Shale: Implications for Gas Flow in Unconventional Reservoirs

    Science.gov (United States)

    Tokunaga, Tetsu K.; Shen, Weijun; Wan, Jiamin; Kim, Yongman; Cihan, Abdullah; Zhang, Yingqi; Finsterle, Stefan

    2017-11-01

    Large volumes of water are used for hydraulic fracturing of low permeability shale reservoirs to stimulate gas production, with most of the water remaining unrecovered and distributed in a poorly understood manner within stimulated regions. Because water partitioning into shale pores controls gas release, we measured the water saturation dependence on relative humidity (rh) and capillary pressure (Pc) for imbibition (adsorption) as well as drainage (desorption) on samples of Woodford Shale. Experiments and modeling of water vapor adsorption into shale laminae at rh = 0.31 demonstrated that long times are needed to characterize equilibrium in larger (5 mm thick) pieces of shales, and yielded effective diffusion coefficients from 9 × 10-9 to 3 × 10-8 m2 s-1, similar in magnitude to the literature values for typical low porosity and low permeability rocks. Most of the experiments, conducted at 50°C on crushed shale grains in order to facilitate rapid equilibration, showed significant saturation hysteresis, and that very large Pc (˜1 MPa) are required to drain the shales. These results quantify the severity of the water blocking problem, and suggest that gas production from unconventional reservoirs is largely associated with stimulated regions that have had little or no exposure to injected water. Gravity drainage of water from fractures residing above horizontal wells reconciles gas production in the presence of largely unrecovered injected water, and is discussed in the broader context of unsaturated flow in fractures.

  10. Effective transport coefficients in PEM fuel cell catalyst and gas diffusion layers: Beyond Bruggeman approximation

    Energy Technology Data Exchange (ETDEWEB)

    Das, Prodip K. [Department of Mechanical and Mechatronics Engineering, University of Waterloo, 200 University Avenue West, Waterloo, ON (Canada); Institute for Fuel Cell Innovation, National Research Council, Vancouver, BC (Canada); Li, Xianguo [Department of Mechanical and Mechatronics Engineering, University of Waterloo, 200 University Avenue West, Waterloo, ON (Canada); Liu, Zhong-Sheng [Institute for Fuel Cell Innovation, National Research Council, Vancouver, BC (Canada)

    2010-09-15

    The Bruggeman approximation has widely been used for estimating the effective conductivity and diffusivity of both the catalyst and gas diffusion layers of polymer electrolyte membrane (PEM) fuel cells. This approximation is based on the Bruggeman's Effective Medium Theory [Bruggeman D. Berechnung verschiedener physikalischer konstanten von heterogenen substanzen. Ann Phys (Leipzig) 1935;24:636-79], which provides empirical correlation for the effective properties of a composite system. Since it is an empirical correlation, a unique correlation based on the Bruggeman approximation does not always hold for the PEM fuel cell effective properties. Rather, the Bruggeman correlation is a cell specific and experiment dependent correlation that depends on structure, phase composition, water saturation, experimental parameters, etc. Further, this correlation needs to be combined with other correlations to estimate the effective diffusivities. In this article, a set of mathematical formulations has been proposed for the effective transport properties in both the catalyst and gas diffusion layers of a PEM fuel cell. The effective conductivity and diffusivity expressions are derived from the mathematical formulations of the Hashin Coated Sphere model [Hashin Z. The elastic moduli of heterogeneous materials. J Appl Mech 1962;29:143-50], which provides an identical mathematical foundation for each of these effective properties rather than an empirical correlation and avoid to use of multiple correlations together. The present model formulations agree well with the results available in literature for the limiting case. Hence, the proposed formulations for the effective transport properties will be a useful estimating tool in the numerical modeling of PEM fuel cells. (author)

  11. Hydroxyl as a Tracer of Dark Gas in a Diffuse Molecular Cloud

    Science.gov (United States)

    White, Josh; Donate, Emmanuel; Magnani, Loris A.

    2017-06-01

    In an attempt to determine the extent of dark molecular gas at high Galactic latitudes, we have conducted a survey of OH at 18 cm in a region containing the diffuse molecular cloud MBM 53. Dark molecular gas is a term that refers to molecular hydrogen that is either difficult or impossible to detect by conventional spectroscopic means. While models of photo-dissociation regions predict that some molecular hydrogen is found under conditions where other species are too low in abundance to be detected by radio spectroscopy, recent estimates have predicted that as much dark molecular gas exists as that normally detected by CO(1-0) surveys. However, more sensitive surveys either in the CO(1-0) line or other tracers should detect some of this gas. We observed 44 lines of sight at 18 cm to see if very sensitive OH observations could detect some of the dark molecular gas in the Pegasus-Pisces region. Our data were taken with the 305 m Arecibo radiotelescope and have typical rms values of 6-7 mK. We compared our OH observations with the Georgia/Harvard-Smithsonian CfA high-latitude CO(1-0) survey. Of 8 OH detections at 1667 MHz, 5 were not detected by the CO survey and indicate that at least some of the dark molecular gas may be traced by sensitive OH observations.

  12. Method and apparatus for rapid adjustment of process gas inventory in gaseous diffusion cascades

    International Nuclear Information System (INIS)

    Dyer, R.H.; Fowler, A.H.; Vanstrum, P.R.

    1977-01-01

    The invention relates to an improved method and system for making relatively large and rapid adjustments in the process gas inventory of an electrically powered gaseous diffusion cascade in order to accommodate scheduled changes in the electrical power available for cascade operation. In the preferred form of the invention, the cascade is readied for a decrease in electrical input by simultaneously withdrawing substreams of the cascade B stream into respective process-gas-freezing and storage zones while decreasing the datum-pressure inputs to the positioning systems for the cascade control valves in proportion to the weight of process gas so removed. Consequently, the control valve positions are substantially unchanged by the reduction in invention, and there is minimal disturbance of the cascade isotopic gradient. The cascade is readied for restoration of the power cut by simultaneously evaporating the solids in the freezing zones to regenerate the process gas substreams and introducing them to the cascade A stream while increasing the aforementioned datum pressure inputs in proportion to the weight of process gas so returned. In the preferred form of the system for accomplishing these operations, heat exchangers are provided for freezing, storing, and evaporating the various substreams. Preferably, the heat exchangers are connected to use existing cascade auxiliary systems as a heat sink. A common control is employed to adjust and coordinate the necessary process gas transfers and datum pressure adjustments

  13. Estimation of Knudsen diffusion coefficients from tracer experiments conducted with a binary gas system and a porous medium.

    Science.gov (United States)

    Hibi, Yoshihiko; Kashihara, Ayumi

    2018-03-01

    A previous study has reported that Knudsen diffusion coefficients obtained by tracer experiments conducted with a binary gas system and a porous medium are consistently smaller than those obtained by permeability experiments conducted with a single-gas system and a porous medium. To date, however, that study is the only one in which tracer experiments have been conducted with a binary gas system. Therefore, to confirm this difference in Knudsen diffusion coefficients, we used a method we had developed previously to conduct tracer experiments with a binary carbon dioxide-nitrogen gas system and five porous media with permeability coefficients ranging from 10 -13 to 10 -11  m 2 . The results showed that the Knudsen diffusion coefficient of N 2 (D N2 ) (cm 2 /s) was related to the effective permeability coefficient k e (m 2 ) as D N2  = 7.39 × 10 7 k e 0.767 . Thus, the Knudsen diffusion coefficients of N 2 obtained by our tracer experiments were consistently 1/27 of those obtained by permeability experiments conducted with many porous media and air by other researchers. By using an inversion simulation to fit the advection-diffusion equation to the distribution of concentrations at observation points calculated by mathematically solving the equation, we confirmed that the method used to obtain the Knudsen diffusion coefficient in this study yielded accurate values. Moreover, because the Knudsen diffusion coefficient did not differ when columns with two different lengths, 900 and 1500 mm, were used, this column property did not influence the flow of gas in the column. The equation of the dusty gas model already includes obstruction factors for Knudsen diffusion and molecular diffusion, which relate to medium heterogeneity and tortuosity and depend only on the structure of the porous medium. Furthermore, there is no need to take account of any additional correction factor for molecular diffusion except the obstruction factor because molecular diffusion is

  14. Effect of binders on natural graphite powder-based gas diffusion electrode for Mg-air cell

    Science.gov (United States)

    Arinton, Ghenadi; Rianto, Anton; Faizal, Ferry; Hidayat, Darmawan; Hidayat, Sahrul; Panatarani, Camellia; Joni, I. Made

    2016-03-01

    This paper mainly discussed the electrical performance of gas diffusion electrode of Mg-Air Cell. The gas diffusion electrodes (GDE) use a natural graphite powder as catalyst material. The effect of additional binders to the GDE have been investigated to improve electrode performances. Several types of GDE have been developed using binder materials such as epoxy resin, natural clay, carboxymethyl cellulose (CMC) and urea-formaldehyde (UF). By using discharge performance measurement, the characteristics of the as-prepared GDEs are reported.

  15. Influence of a uniform driving force on tracer diffusion in a one-dimensional hard-core lattice gas

    NARCIS (Netherlands)

    Kutner, R.; Beijeren, H. van

    1985-01-01

    The influence of a uniform driving force on tracer diffusion is investigated for a one-dimensional lattice gas where particles jump stochastically to unoccupied neighboring sites. A new, simple calculation is presented for the diffusion coefficient of a tracer particle with respect to its average

  16. Study of diffuse H II regions potentially forming part of the gas streams around Sgr A*

    Science.gov (United States)

    Armijos-Abendaño, J.; López, E.; Martín-Pintado, J.; Báez-Rubio, A.; Aravena, M.; Requena-Torres, M. A.; Martín, S.; Llerena, M.; Aldás, F.; Logan, C.; Rodríguez-Franco, A.

    2018-05-01

    We present a study of diffuse extended ionized gas towards three clouds located in the Galactic Centre (GC). One line of sight (LOS) is towards the 20 km s-1 cloud (LOS-0.11) in the Sgr A region, another LOS is towards the 50 km s-1 cloud (LOS-0.02), also in Sgr A, while the third is towards the Sgr B2 cloud (LOS+0.693). The emission from the ionized gas is detected from Hnα and Hmβ radio recombination lines (RRLs). Henα and Hemβ RRL emission is detected with the same n and m as those from the hydrogen RRLs only towards LOS+0.693. RRLs probe gas with positive and negative velocities towards the two Sgr A sources. The Hmβ to Hnα ratios reveal that the ionized gas is emitted under local thermodynamic equilibrium conditions in these regions. We find a He to H mass fraction of 0.29±0.01 consistent with the typical GC value, supporting the idea that massive stars have increased the He abundance compared to its primordial value. Physical properties are derived for the studied sources. We propose that the negative velocity component of both Sgr A sources is part of gas streams considered previously to model the GC cloud kinematics. Associated massive stars with what are presumably the closest H II regions to LOS-0.11 (positive velocity gas), LOS-0.02, and LOS+0.693 could be the main sources of ultraviolet photons ionizing the gas. The negative velocity components of both Sgr A sources might be ionized by the same massive stars, but only if they are in the same gas stream.

  17. Methodology for using prompt gamma activation analysis to measure the binary diffusion coefficient of a gas in a porous medium

    International Nuclear Information System (INIS)

    Rios Perez, Carlos A.; Biegalski, Steve R.; Deinert, Mark R.

    2012-01-01

    Highlights: ► Prompt gamma activation analysis is used to study gas diffusion in a porous system. ► Diffusion coefficients are determined using prompt gamma activation analysis. ► Predictions concentrations fit experimental measurements with an R 2 of 0.98. - Abstract: Diffusion plays a critical role in determining the rate at which gases migrate through porous systems. Accurate estimates of diffusion coefficients are essential if gas transport is to be accurately modeled and better techniques are needed that can be used to measure these coefficients non-invasively. Here we present a novel method for using prompt gamma activation analysis to determine the binary diffusion coefficients of a gas in a porous system. Argon diffusion experiments were conducted in a 1 m long, 10 cm diameter, horizontal column packed with a SiO 2 sand. The temporal variation of argon concentration within the system was measured using prompt gamma activation analysis. The binary diffusion coefficient was obtained by comparing the experimental data with the predictions from a numerical model in which the diffusion coefficient was varied until the sum of square errors between experiment and model data was minimized. Predictions of argon concentration using the optimal diffusivity fit experimental measurements with an R 2 of 0.983.

  18. Oxidative Neutralization of Mustard-Gas Simulants in an On-Board Flow Device with In-Line NMR Monitoring.

    Science.gov (United States)

    Picard, Baptiste; Gouilleux, Boris; Lebleu, Thomas; Maddaluno, Jacques; Chataigner, Isabelle; Penhoat, Maël; Felpin, François-Xavier; Giraudeau, Patrick; Legros, Julien

    2017-06-19

    The fast and effective neutralization of the mustard-gas simulant 2-chloroethyl ethyl sulfide (CEES) using a simple and portable continuous flow device is reported. Neutralization takes place through a fully selective sulfoxidation by a stable source of hydrogen peroxide (alcoholic solution of urea-H 2 O 2 adduct/MeSO 3 H freshly prepared). The reaction progress can be monitored with an in-line benchtop NMR spectrometer, allowing a real-time adjustment of reaction conditions. Inherent features of millireactors, that is, perfect control of mixing, heat and reaction time, allowed the neutralization of 25 g of pure CEES within 46 minutes in a 21.5 mL millireactor (t R =3.9 minutes). This device, which relies on affordable and nontoxic reagents, fits into a suitcase, and can be deployed by police/military forces directly on the attack site. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  19. Limiting Current of Oxygen Reduction on Gas-Diffusion Electrodes for Phosphoric Acid Fuel Cells

    DEFF Research Database (Denmark)

    Li, Qingfeng; Gang, Xiao; Hjuler, Hans Aage

    1994-01-01

    on polytetrafluorine-ethyl bonded gas-diffusion electordes in phosphoric acid with and without fluorinated additives. This provides an alternative to estimate the film thickness by combining it with the acid-adsorption measurements and the porosity analysis of the catalyst layer. It was noticed that the limiting...... expression for the limiting current density. The acid-film thickness estimated this way was found to be of 0.1 mum order of magnitude for the two types of electrodes used in phosphoric acid with and without fluorinated additives at 150-degrees-C....

  20. Electrochemical atomic layer deposition of Pt nanostructures on fuel cell gas diffusion layer

    CSIR Research Space (South Africa)

    Modibedi, M

    2010-12-01

    Full Text Available technologies including gasoline internal combustion engines. The membrane electrode assembly (MEA) consists of a membrane, two dispersed catalyst layers, and two gas diffusion layers (GDLs). The electrochemical performance of the fuel cells is strongly...+ (small Overpotential Deposition (OPD) - to produce sacrificial Cu adlayer on active sites of the substrate; Rinse with BE Cu 2+ Cu 2+ S S S S S S S Cu Cu Cu Cu Cu -2e S S S S S S S Pt Cu Pt Cu Cu (3) Inject H 2PtCl 6 solution and allow...

  1. Knudsen diffusion - The effect of small pore size and low gas pressure on gaseous transport in soil

    Science.gov (United States)

    Clifford, S. M.; Hillel, D.

    1986-01-01

    The analytical principles and applications of the theory of Knudsen diffusion are reviewed, with emphasis on gas transport in the soils of planetary bodies. Knudsen diffusion occurs when the mean free path of diffusing gas molecules surpasses the size of the pores through which diffusion proceeds. The process is then dominated by collisions with the pore walls. Computational techniques for deriving the Knudsen coefficient for soils with a nonreentrant cross-section shape are reviewed, along with methods of deriving a coefficient for soils which permit both Knudsen and bulk diffusion. Sample calculations for three pore-size distributions are provided to illustrate the decrease in transport efficiency with increasingly smaller soil pore sizes.

  2. Gas Sorption, Diffusion and Permeation in a Polymer of Intrinsic Microporosity (PIM-7)

    KAUST Repository

    Alaslai, Nasser Y.

    2013-05-08

    of He, H2, N2, O2, CH4, CO2, C2H6, C3H8 and n-C4H10 were measured at 35 oC and 2 atm feed pressure using a home-made constant-volume/variable pressure pure-gas permeation system. Hydrocarbon-induced plasticization of PIM-7 was confirmed by measuring the permeability coefficients of C3H8 and n-C4H10 as function of pressure at 35 oC. Diffusion coefficients were calculated from the permeability and solubility data at 2 atm for all penetrants tested and as function of pressure for C3H8 and n-C4H10; the values for C3 and C4 increased significantly with pressure because of plasticization. Physical aging was studied by measuring the permeability coefficients of a number of gases in fresh and aged films. Mixed-gas permeation tests were performed for a feed mixture of 2 vol% n-butane and 98 vol% methane. Based on BET surface area measurements using N2 as a probe molecule, PIM-7 is a microporous polymer (S = 690 m2/g) and it was expected to exhibit selectivity for n-butane over methane, as previously observed for other microporous polymers, such as PIM-1 and PTMSP. Surprisingly, PIM-7 is more permeable to methane than n-butane and exhibits a mixed-gas methane/n-butane selectivity of up to 2.3. This result indicates that the micropore size in PIM-7 is smaller than that in other PIMs materials. Consequently, PIM-7 is not a suitable candidate membrane material for separation of higher hydrocarbons from methane.

  3. Radiative transfer calculations of the diffuse ionised gas in disc galaxies with cosmic ray feedback.

    Science.gov (United States)

    Vandenbroucke, Bert; Wood, Kenneth; Girichidis, Philipp; Hill, Alex; Peters, Thomas

    2018-03-01

    The large vertical scale heights of the diffuse ionised gas (DIG) in disc galaxies are challenging to model, as hydrodynamical models including only thermal feedback seem to be unable to support gas at these heights. In this paper, we use a three dimensional Monte Carlo radiation transfer code to post-process disc simulations of the Simulating the Life-Cycle of Molecular Clouds (SILCC) project that include feedback by cosmic rays. We show that the more extended discs in simulations including cosmic ray feedback naturally lead to larger scale heights for the DIG which are more in line with observed scale heights. We also show that including a fiducial cosmic ray heating term in our model can help to increase the temperature as a function of disc scale height, but fails to reproduce observed DIG nitrogen and sulphur forbidden line intensities. We show that, to reproduce these line emissions, we require a heating mechanism that affects gas over a larger density range than is achieved by cosmic ray heating, which can be achieved by fine tuning the total luminosity of ionising sources to get an apropriate ionising spectrum as a function of scale height. This result sheds a new light on the relation between forbidden line emissions and temperature profiles for realistic DIG gas distributions.

  4. Radiative transfer calculations of the diffuse ionized gas in disc galaxies with cosmic ray feedback

    Science.gov (United States)

    Vandenbroucke, Bert; Wood, Kenneth; Girichidis, Philipp; Hill, Alex S.; Peters, Thomas

    2018-05-01

    The large vertical scale heights of the diffuse ionized gas (DIG) in disc galaxies are challenging to model, as hydrodynamical models including only thermal feedback seem to be unable to support gas at these heights. In this paper, we use a three-dimensional Monte Carlo radiation transfer code to post-process disc simulations of the Simulating the Life-Cycle of Molecular Clouds project that include feedback by cosmic rays. We show that the more extended discs in simulations including cosmic ray feedback naturally lead to larger scale heights for the DIG which are more in line with observed scale heights. We also show that including a fiducial cosmic ray heating term in our model can help to increase the temperature as a function of disc scale height, but fails to reproduce observed DIG nitrogen and sulphur forbidden line intensities. We show that, to reproduce these line emissions, we require a heating mechanism that affects gas over a larger density range than is achieved by cosmic ray heating, which can be achieved by fine tuning the total luminosity of ionizing sources to get an appropriate ionizing spectrum as a function of scale height. This result sheds a new light on the relation between forbidden line emissions and temperature profiles for realistic DIG gas distributions.

  5. Gas diffusion-flow injection determination of total inorganic carbon in water using tungsten oxide electrode.

    Science.gov (United States)

    Monser, L; Adhoum, N; Sadok, S

    2004-02-06

    A novel gas diffusion-flow injection method has been developed for the rapid and sensitive determination of total inorganic carbon (TIC) in water. The method is based on the diffusion of CO(2) across gas permeable membrane from a donor stream containing 0.1M HCl to an acceptor stream of sodium acetate (10(-5)moll(-1) and pH 10). The CO(2) trapped in the acceptor stream passes through an electrochemical flow cell contains a tungsten oxide wire and a silver/silver chloride electrode, where it was sensitively detected. The parameters affecting the sensitivity of the electrode such as buffer concentration, pH, flow rate and injected volume were studied in detail. The electrode response was linear in the concentration range from 5 to 100mugml(-1) CO(3)(2-) with a correlation coefficient (R(2)) of 0.998. Precision (R.S.D.) was 1.42% for 20mugml(-1) standard solution of CO(3)(2-) (n=10). The detection limit was 0.20mugml(-1) CO(3)(2-). The method was evaluated by the injection of real natural water samples and an average recovery of 100.1% was obtained. The sampling rate was 30 samplesh(-1). The method is simple, feasible with satisfactory accuracy and precision and thus could be used for monitoring TIC in water.

  6. Sputter deposition on gas diffusion electrodes of Pt-Au nanoclusters for methanol oxidation

    Energy Technology Data Exchange (ETDEWEB)

    Giorgi, L.; Giorgi, R.; Gagliardi, S.; Serra, E. [ENEA Casaccia Research Center, Rome (Italy). Physics Technologies and New Materials; Alvisi, M.; Signore, M.A. [ENEA Brindisi Research Center, Brindisi (Italy). Physics Technologies and New Materials

    2008-07-01

    Polymer electrolyte fuel cells (PEFCs) are suited for use in commercial electrical vehicle and electric power applications. The gas diffusion electrodes of PEFCs are catalyzed by the deposition of platinum (Pt) nanoparticles on carbon powder. The particles must be localized on the electrode surface in order to achieve high electrocatalyst utilization. This study discussed a method of preparing PEFC electrodes using sputter deposition of a Pt-gold (Au) alloy nanoparticles on carbon powders. The method was designed to improve electrode performance and catalyst utilization. The nano-sized alloy clusters were deposited on a gas diffusion electrode at room temperature. The deposits were then characterized using field emission scanning electron microscopy (FE-SEM), X-ray diffraction (XRD), and X-ray photoelectron spectroscopy (XPS) in order to examine the effect of the deposition technique on the nano-morphology and electrocatalytic performance of the electrode. Results of the study showed that the technique can be used in the large-scale manufacture of fuel cell electrodes. 3 refs., 1 fig.

  7. Gas-diffusion-based passive sampler for ammonia monitoring in marine waters.

    Science.gov (United States)

    O'Connor Šraj, Lenka; Almeida, M Inês G S; Bassett, Chelsea; McKelvie, Ian D; Kolev, Spas D

    2018-05-01

    A novel passive sampler based on gas-diffusion across a hydrophobic membrane is described for the determination of the time-weighted average concentration of dissolved molecular ammonia in high ionic strength aquatic environments, such as sea, coastal and estuarine waters, for a period of 3 days. The passive sampler developed is cheap, easy-to-use, reusable, and has a dynamic concentration range of 2.0-12µM, which covers the water quality guideline trigger value of 11.4µM (160µgL -1 NH 3 -N) for high conservation value waters, making this a powerful new tool for water quality managers involved in long-term ammonia monitoring. The gas-diffusion-based passive sampler was calibrated under laboratory conditions and deployed in a tank of seawater in the laboratory and at an estuarine site for proof of concept, and a good agreement between passive and spot sampling was achieved in both cases. Copyright © 2017 Elsevier B.V. All rights reserved.

  8. Cerebral NMR spectroscopy to study intracellular space in vivo: methodological development for diffusion weighted spectroscopy at short time scale and for pH measurement using 31P detection

    International Nuclear Information System (INIS)

    Marchadour, Charlotte

    2013-01-01

    NMR spectroscopy is a unique modality to evaluate intracellular environment in vivo. Indeed observed molecules are specifically intracellular and generally have a biochemistry role and a specific cellular compartmentation. That could be a useful tool to understand cell functioning in their environment. My thesis work consisted in development of new sequence in both diffusion and phosphorus NMR spectroscopy.My first study was to develop a diffusion-weighted spectroscopy at ultra-short diffusion time to look at the anomalous diffusion in the rat brain. ADC evolution as a function of time shows that brain metabolites motion is mainly due to random diffusion and that active transport (if exist) are negligible. Data modeling evidences that diffusion at short diffusion time is sensitive to cytoplasm viscosity and short scale crowding. In collaboration with the pharmaceutical company, this technique was chosen to follow up transgenic mice (rTg4510), model of tau pathology. Preliminary results show significant differences of ADC at an early stage of neuro-degenerescence (3 and 6 months).Phosphorus spectroscopy allows observation of metabolites directly implicated in energetic processes. During this thesis, localization sequences were developed to measure intracellular pH in the primate striatum. These sequences are supposed to be used to evaluate the potential of pH as a bio-marker of neuro-degenerescence in a phenotypic model of the Huntington disease in the non-human primate. (author) [fr

  9. Implications of polymer electrolyte fuel cell exposure to synchrotron radiation on gas diffusion layer water distribution

    Science.gov (United States)

    Eller, Jens; Roth, Jörg; Marone, Federica; Stampanoni, Marco; Wokaun, Alexander; Büchi, Felix N.

    2014-01-01

    Synchrotron radiation (SR) based imaging of polymer electrolyte fuel cells (PEFC), both radiography and tomography, is an attractive tool for the visualization of water in the gas diffusion layer as it provides temporal and spatial resolutions one order of magnitude superior to neutron imaging. Here we report on the degradation of cell performance and changes in GDL water saturation after SR irradiation of about 43% of a cell's active area. Fast X-ray tomographic microscopy (XTM) scans of 11 s duration are used to compare the GDL saturation before and after a 5 min irradiation period of the imaged section. The cell voltage and the water saturation decreased clearly during and after the exposure. Estimates of the current density of the SR exposed and non exposed cell domains underline the effect of irradiation.

  10. Defect Detection in Fuel Cell Gas Diffusion Electrodes Using Infrared Thermography

    Energy Technology Data Exchange (ETDEWEB)

    Ulsh, Michael; Porter, Jason M.; Bittinat, Daniel C.; Bender, Guido

    2016-04-01

    Polymer electrolyte membrane fuel cells are energy conversion devices that offer high power densities and high efficiencies for mobile and other applications. Successful introduction into the marketplace requires addressing cost barriers such as production volumes and platinum loading. For cost reduction, it is vital to minimize waste and maximize quality during the manufacturing of platinum-containing electrodes, including gas diffusion electrodes (GDEs). In this work, we report on developing a quality control diagnostic for GDEs, involving creating an ex situ exothermic reaction on the electrode surface and using infrared thermography to measure the resulting temperature profile. Experiments with a moving GDE containing created defects were conducted to demonstrate the applicability of the diagnostic for real-time web-line inspection.

  11. Mapping the Diffusion Potential of a Reconstructed Au(111) Surface at Nanometer Scale with 2D Molecular Gas

    International Nuclear Information System (INIS)

    Yan Shi-Chao; Xie Nan; Gong Hui-Qi; Guo Yang; Shan Xin-Yan; Lu Xing-Hua; Sun Qian

    2012-01-01

    The adsorption and diffusion behaviors of benzene molecules on an Au(111) surface are investigated by low-temperature scanning tunneling microscopy. A herringbone surface reconstruction of the Au(111) surface is imaged with atomic resolution, and significantly different behaviors are observed for benzene molecules adsorbed on step edges and terraces. The electric field induced modification in the molecular diffusion potential is revealed with a 2D molecular gas model, and a new method is developed to map the diffusion potential over the reconstructed Au(111) surface at the nanometer scale. (condensed matter: structure, mechanical and thermal properties)

  12. Amperometric Determination of Sulfite by Gas Diffusion- Sequential Injection with Boron-Doped Diamond Electrode

    Directory of Open Access Journals (Sweden)

    Orawon Chailapakul

    2008-03-01

    Full Text Available A gas diffusion sequential injection system with amperometric detection using aboron-doped diamond electrode was developed for the determination of sulfite. A gasdiffusion unit (GDU was used to prevent interference from sample matrices for theelectrochemical measurement. The sample was mixed with an acid solution to generategaseous sulfur dioxide prior to its passage through the donor channel of the GDU. Thesulfur dioxide diffused through the PTFE hydrophobic membrane into a carrier solution of 0.1 M phosphate buffer (pH 8/0.1% sodium dodecyl sulfate in the acceptor channel of theGDU and turned to sulfite. Then the sulfite was carried to the electrochemical flow cell anddetected directly by amperometry using the boron-doped diamond electrode at 0.95 V(versus Ag/AgCl. Sodium dodecyl sulfate was added to the carrier solution to preventelectrode fouling. This method was applicable in the concentration range of 0.2-20 mgSO32−/L and a detection limit (S/N = 3 of 0.05 mg SO32−/L was achieved. This method wassuccessfully applied to the determination of sulfite in wines and the analytical resultsagreed well with those obtained by iodimetric titration. The relative standard deviations forthe analysis of sulfite in wines were in the range of 1.0-4.1 %. The sampling frequency was65 h−1.

  13. Mathematical model of the methane replacement by carbon dioxide in the gas hydrate reservoir taking into account the diffusion kinetics

    Science.gov (United States)

    Musakaev, N. G.; Khasanov, M. K.; Rafikova, G. R.

    2018-03-01

    The problem of the replacement of methane in its hydrate by carbon dioxide in a porous medium is considered. The gas-exchange kinetics scheme is proposed in which the intensity of the process is limited by the diffusion of CO2 through the hydrate layer formed between the gas mixture flow and the CH4 hydrate. Dynamics of the main parameters of the process is numerically investigated. The main characteristic stages of the process are determined.

  14. An integrated platform for gas-diffusion separation and electrochemical determination of ethanol on fermentation broths

    Energy Technology Data Exchange (ETDEWEB)

    Giordano, Gabriela Furlan [Microfabrication Laboratory, Brazilian Nanotechnology National Laboratory (LNNano), Brazilian Center for Research in Energy and Materials (CNPEM), Campinas, SP 13083-970 (Brazil); Department of Analytical Chemistry, Institute of Chemistry – UNICAMP, Campinas, SP 13083-970 (Brazil); National Institute of Science and Technology of Bioanalytics, Institute of Chemistry – UNICAMP, Campinas, SP 13083-970 (Brazil); Vieira, Luis Carlos Silveira; Gobbi, Angelo Luiz [Microfabrication Laboratory, Brazilian Nanotechnology National Laboratory (LNNano), Brazilian Center for Research in Energy and Materials (CNPEM), Campinas, SP 13083-970 (Brazil); Lima, Renato Sousa [Microfabrication Laboratory, Brazilian Nanotechnology National Laboratory (LNNano), Brazilian Center for Research in Energy and Materials (CNPEM), Campinas, SP 13083-970 (Brazil); Department of Analytical Chemistry, Institute of Chemistry – UNICAMP, Campinas, SP 13083-970 (Brazil); National Institute of Science and Technology of Bioanalytics, Institute of Chemistry – UNICAMP, Campinas, SP 13083-970 (Brazil); Kubota, Lauro Tatsuo, E-mail: kubota@iqm.unicamp.br [Department of Analytical Chemistry, Institute of Chemistry – UNICAMP, Campinas, SP 13083-970 (Brazil); National Institute of Science and Technology of Bioanalytics, Institute of Chemistry – UNICAMP, Campinas, SP 13083-970 (Brazil)

    2015-05-22

    Highlights: • Integrated platform was developed to determine ethanol in fermentation broths. • The designed system integrates gas diffusion separation with voltammetric detection. • Detector relied on Ni(OH){sub 2}-modified electrode stabilized by Co{sup 2+} and Cd{sup 2+} insertion. • Separation was made by PTFE membrane separating sample from electrolyte (receptor). • Despite the sample complexity, accurate tests were achieved by direct interpolation. - Abstract: An integrated platform was developed for point-of-use determination of ethanol in sugar cane fermentation broths. Such analysis is important because ethanol reduces its fuel production efficiency by altering the alcoholic fermentation step when in excess. The custom-designed platform integrates gas diffusion separation with voltammetric detection in a single analysis module. The detector relied on a Ni(OH){sub 2}-modified electrode. It was stabilized by uniformly depositing cobalt and cadmium hydroxides as shown by XPS measurements. Such tests were in accordance with the hypothesis related to stabilization of the Ni(OH){sub 2} structure by insertion of Co{sup 2+} and Cd{sup 2+} ions in this structure. The separation step, in turn, was based on a hydrophobic PTFE membrane, which separates the sample from receptor solution (electrolyte) where the electrodes were placed. Parameters of limit of detection and analytical sensitivity were estimated to be 0.2% v/v and 2.90 μA % (v/v){sup −1}, respectively. Samples of fermentation broth were analyzed by both standard addition method and direct interpolation in saline medium based-analytical curve. In this case, the saline solution exhibited ionic strength similar to those of the samples intended to surpass the tonometry colligative effect of the samples over analyte concentration data by attributing the reduction in quantity of diffused ethanol vapor majorly to the electrolyte. The approach of analytical curve provided rapid, simple and accurate

  15. A dedicated compression device for high resolution X-ray tomography of compressed gas diffusion layers

    Energy Technology Data Exchange (ETDEWEB)

    Tötzke, C. [Helmholtz-Zentrum Berlin für Materialien und Energie GmbH, 14109 Berlin (Germany); Universität Potsdam, 14476 Potsdam (Germany); Manke, I.; Banhart, J. [Helmholtz-Zentrum Berlin für Materialien und Energie GmbH, 14109 Berlin (Germany); Gaiselmann, G.; Schmidt, V. [Universität Ulm, 89069 Ulm (Germany); Bohner, J. [Forschungszentrum Jülich, 52425 Jülich (Germany); Müller, B. R.; Kupsch, A.; Hentschel, M. P. [BAM Bundesanstalt für Materialforschung und -Prüfung, 12200 Berlin (Germany); Lehnert, W. [Forschungszentrum Jülich, 52425 Jülich (Germany); RTWH Aachen University, 52062 Aachen (Germany)

    2015-04-15

    We present an experimental approach to study the three-dimensional microstructure of gas diffusion layer (GDL) materials under realistic compression conditions. A dedicated compression device was designed that allows for synchrotron-tomographic investigation of circular samples under well-defined compression conditions. The tomographic data provide the experimental basis for stochastic modeling of nonwoven GDL materials. A plain compression tool is used to study the fiber courses in the material at different compression stages. Transport relevant geometrical parameters, such as porosity, pore size, and tortuosity distributions, are exemplarily evaluated for a GDL sample in the uncompressed state and for a compression of 30 vol.%. To mimic the geometry of the flow-field, we employed a compression punch with an integrated channel-rib-profile. It turned out that the GDL material is homogeneously compressed under the ribs, however, much less compressed underneath the channel. GDL fibers extend far into the channel volume where they might interfere with the convective gas transport and the removal of liquid water from the cell.

  16. An integrated simulator of structure and anisotropic flow in gas diffusion layers with hydrophobic additives

    Science.gov (United States)

    Burganos, Vasilis N.; Skouras, Eugene D.; Kalarakis, Alexandros N.

    2017-10-01

    The lattice-Boltzmann (LB) method is used in this work to reproduce the controlled addition of binder and hydrophobicity-promoting agents, like polytetrafluoroethylene (PTFE), into gas diffusion layers (GDLs) and to predict flow permeabilities in the through- and in-plane directions. The present simulator manages to reproduce spreading of binder and hydrophobic additives, sequentially, into the neat fibrous layer using a two-phase flow model. Gas flow simulation is achieved by the same code, sidestepping the need for a post-processing flow code and avoiding the usual input/output and data interface problems that arise in other techniques. Compression effects on flow anisotropy of the impregnated GDL are also studied. The permeability predictions for different compression levels and for different binder or PTFE loadings are found to compare well with experimental data for commercial GDL products and with computational fluid dynamics (CFD) predictions. Alternatively, the PTFE-impregnated structure is reproduced from Scanning Electron Microscopy (SEM) images using an independent, purely geometrical approach. A comparison of the two approaches is made regarding their adequacy to reproduce correctly the main structural features of the GDL and to predict anisotropic flow permeabilities at different volume fractions of binder and hydrophobic additives.

  17. Density-corrected models for gas diffusivity and air permeability in unsaturated soil

    DEFF Research Database (Denmark)

    Deepagoda Thuduwe Kankanamge Kelum, Chamindu; Møldrup, Per; Schjønning, Per

    2011-01-01

    profile data (total of 150 undisturbed soil samples) were used to investigate soil type and density effects on the gas transport parameters and for model development. The measurements were within a given range of matric potentials (-10 to -500 cm H2O) typically representing natural field conditions...... in subsurface soil. The data were regrouped into four categories based on compaction (total porosity F 0.4 m3 m-3) and soil texture (volume-based content of clay, silt, and organic matter 15%). The results suggested that soil compaction more than soil type was the major control on gas...... diffusivity and to some extent also on air permeability. We developed a density-corrected (D-C) Dp(e)/Do model as a generalized form of a previous model for Dp/ Do at -100 cm H2O of matric potential (Dp,100/Do). The D-C model performed well across soil types and density levels compared with existing models...

  18. Electro-scrubbing volatile organic carbons in the air stream with a gas diffusion electrode

    Energy Technology Data Exchange (ETDEWEB)

    Yang Ji, E-mail: yangji@ecust.edu.cn [School of Resources and Environmental Engineering, State Environmental Protection Key Laboratory of Environmental Risk Assessment and Control on Chemical Process, East China University of Science and Technology, Shanghai 200237 (China); School of Environmental Science and Engineering, Shanghai Jiao Tong University, Shanghai 200240 (China); Liu Kaichen; Jia Jinping; Cao Limei [School of Environmental Science and Engineering, Shanghai Jiao Tong University, Shanghai 200240 (China)

    2011-04-15

    It is demonstrated that exposing the VOC air streams to the electro-scrubbing reactor with a gas diffusion electrode leads to an efficient removal of organics. The importance order of the influence factors on the electro-scrubbing reactor performance is: conductivity, voltage and air stream flow-rate. The effective conductivity and high voltages generally are beneficial to the removal process and the air flow-rate is not a significant factor compared with the other two, indicating that the reactor might have a consistently satisfying performance within a wide range of gas volumetric load. The mass transfer of both organics and oxygen in the reactor is estimated by mathematical model, and the calculation determines the concentration boundary conditions for the 2-ethoxyethyl acetate removal: if the 2-ethoxyethyl acetate concentration in the inflow air stream holds C{sub G,i} {<=} 0.7198 % , the removal in the electro-scrubbing reactor is electrochemical reaction controlled; if C{sub G,i} > 0.7198 % , the controlling step will be the oxygen mass transfer from the air to the liquid in the electro-scrubbing reactor. The Apparent Current Efficiency of the electro-scrubbing reactor was also determined using COD data, which is significantly higher than some commercial metal oxide electrodes, showing that the reactor is energy efficient and has the promise for the future scale-up.

  19. Incorporating Embedded Microporous Layers into Topologically Equivalent Pore Network Models for Oxygen Diffusivity Calculations in Polymer Electrolyte Membrane Fuel Cell Gas Diffusion Layers

    International Nuclear Information System (INIS)

    Fazeli, Mohammadreza; Hinebaugh, James; Bazylak, Aimy

    2016-01-01

    Highlights: • Pore network model for modeling PEMFC MPL-coated GDL effective diffusivity. • Bilayered GDL (substrate and MPL) is modeled with a hybrid network of block MPL elements combined with discrete substrate pores. • Diffusivities of MPL-coated GDLs agree with analytical solutions. - Abstract: In this work, a voxel-based methodology is introduced for the hybridization of a pore network with interspersed nano-porous material elements allowing pore network based oxygen diffusivity calculations in a 3D image of a polymer electrolyte membrane (PEM) fuel cell gas diffusion layer (GDL) with an embedded microporous layer (MPL). The composite GDL is modeled by combining a hybrid network of block MPL elements with prescribed bulk material properties and a topologically equivalent network of larger discrete pores and throats that are directly derived from the 3D image of the GDL substrate. This hybrid network was incorporated into a pore network model, and effective diffusivity predictions of GDL materials with MPL coatings were obtained. Stochastically generated numerical models of carbon paper substrates with and without MPLs were used, and the pore space was directly extracted from this realistic geometry as the input for the pore network model. The effective diffusion coefficient of MPL-coated GDL materials was predicted from 3D images in a pore network modeling environment without resolving the nano-scale structure of the MPL. This method is particularly useful due to the disparate length scales that are involved when attempting to capture pore-scale transport in the GDL. Validation was performed by comparing our predicted diffusivity values to analytical predictions, and excellent agreement was observed. Upon conducting a mesh sensitivity study, it was determined that an MPL element size of 7 μm provided sufficiently high resolution for accurately describing the MPL nano-structure.

  20. Water transport in the gas diffusion layer of a polymer electrolyte fuel cell : Dynamic Pore-Network Modeling

    NARCIS (Netherlands)

    Qin, C.

    2015-01-01

    The pore-scale modeling is a powerful tool for increasing our understanding of water transport in the fibrous gas diffusion layer (GDL) of a polymer electrolyte fuel cell (PEFC). In this work, a new dynamic pore-network model for air-water flow in the GDL is developed. It incorporates water vapor

  1. Lateral gas phase diffusion length of boron atoms over Si/B surfaces during CVD of pure boron layers

    NARCIS (Netherlands)

    Mohammadi, V.; Nihtianov, S.

    2016-01-01

    The lateral gas phase diffusion length of boron atoms, LB, along silicon and boron surfaces during chemical vapor deposition(CVD) using diborane (B2H6) is reported. The value of LB is critical for reliable and uniform boron layer coverage. The presented information was obtained experimentally and

  2. Joint numerical microscale simulations of multi-phase flow and NMR relaxation behaviour in porous media

    Science.gov (United States)

    Mohnke, O.; Ahrenholz, B.

    2011-12-01

    Nuclear Magnetic Resonance (NMR) is a useful tool for analyzing gas (methane) and fluids (water, oil) in rock formations in order to derive transport and storage properties such as pore-size distributions or relative permeability. Even though there is considerable NMR data available about hydraulic properties of rock formations, this information is only empirical. Thus, the aim of this paper is to present joint NMR and multi-phase flow simulations in micro-scale pore systems derived from micro-CT images to quantify relationships between NMR parameters and transport and storage properties of partially saturated rocks. Hereby, the NMR differential equations were implemented using an advection/diffusion lattice-Boltzmann method (LBM) where the flow field is computed by a coupled LBM CFD solver. The results of numerical imbibition and drainage experiments quantitatively agree with laboratory experiments with regard to frequently found peak shifts and bimodal NMR decay time distributions related to residual water in films and corners as well as to fluids/gases trapped in large pores. This numerical framework enables one to quantitatively describe NMR surface and bulk relaxation processes, diffusive coupling along with the multi-phase flow properties of partially saturated porous systems. Furthermore, it is a viable alternative to the more time-consuming and less controllable laboratory experiments. Such virtual experimental setups can considerably help to benchmark and validate statistical network models to better understand hydraulic properties of partially saturated rocks by using experimentally obtained NMR data.

  3. Multicomponent Counter-Current Gas Diffusion in Porous Solids: The Graham's-Law Diffusion Cel.l

    Czech Academy of Sciences Publication Activity Database

    Šolcová, Olga; Šnajdaufová, Hana; Schneider, Petr

    2001-01-01

    Roč. 56, - (2001), s. 5231-5237 ISSN 0009-2509 R&D Projects: GA ČR GA104/01/0546; GA AV ČR IAA4072915 Institutional research plan: CEZ:AV0Z4072921 Keywords : diffusion * mass transfer * porous media Subject RIV: CI - Industrial Chemistry, Chemical Engineering Impact factor: 1.547, year: 2001

  4. NMR Studies of Polymer Nanocomposites

    National Research Council Canada - National Science Library

    Greenbaum, Steve

    2001-01-01

    .... The primary tool is pulsed field gradient NMR. A static field gradient method was developed which makes possible variable pressure diffusion measurement, and the application to the important fuel cell membrane NAFION constitute the first results...

  5. An integrated platform for gas-diffusion separation and electrochemical determination of ethanol on fermentation broths.

    Science.gov (United States)

    Giordano, Gabriela Furlan; Vieira, Luis Carlos Silveira; Gobbi, Angelo Luiz; Lima, Renato Sousa; Kubota, Lauro Tatsuo

    2015-05-22

    An integrated platform was developed for point-of-use determination of ethanol in sugar cane fermentation broths. Such analysis is important because ethanol reduces its fuel production efficiency by altering the alcoholic fermentation step when in excess. The custom-designed platform integrates gas diffusion separation with voltammetric detection in a single analysis module. The detector relied on a Ni(OH)2-modified electrode. It was stabilized by uniformly depositing cobalt and cadmium hydroxides as shown by XPS measurements. Such tests were in accordance with the hypothesis related to stabilization of the Ni(OH)2 structure by insertion of Co(2+) and Cd(2+) ions in this structure. The separation step, in turn, was based on a hydrophobic PTFE membrane, which separates the sample from receptor solution (electrolyte) where the electrodes were placed. Parameters of limit of detection and analytical sensitivity were estimated to be 0.2% v/v and 2.90 μA % (v/v)(-1), respectively. Samples of fermentation broth were analyzed by both standard addition method and direct interpolation in saline medium based-analytical curve. In this case, the saline solution exhibited ionic strength similar to those of the samples intended to surpass the tonometry colligative effect of the samples over analyte concentration data by attributing the reduction in quantity of diffused ethanol vapor majorly to the electrolyte. The approach of analytical curve provided rapid, simple and accurate analysis, thus contributing for deployment of point-of-use technologies. All of the results were accurate with respect to those obtained by FTIR method at 95% confidence level. Copyright © 2015 Elsevier B.V. All rights reserved.

  6. Interacting biochemical and diffusive controls on trace gas sources in unsaturated soils

    Science.gov (United States)

    Rubol, S.; Manzoni, S.; Bellin, A.; Porporato, A. M.

    2011-12-01

    Microbes react to environmental conditions on different timescales. When conditions improve (e.g., rewetting, substrate amendment), the residing population exits the dormant state, becomes active and starts synthesizing extra-cellular enzymes. If substrate availability, and hence energy, is sufficient, microbes may start to reproduce and increase the size of their population. These dynamics make it complicated to interpret measured relationships between microbial activity (e.g., respiration, denitrification, N mineralization) and environmental conditions. In particular, the relationship between bacterial activity and soil moisture, which is derived by incubating soil samples at constant soil moisture levels, seems to vary under dynamic hydrological conditions. This may be related to both soil physical properties and the resilience of bacteria to adapt to rapid changes in soil moisture. We present a process-based model that includes both the above effects and test the hypothesis that the ratio of the time scale of biological versus physical factors determines the shape describing the relationship between microbial activity and soil moisture. In particular, we focus on the role of oxygen dynamics, which regulate the prevalence of aerobic versus anaerobic conditions and thus the prevalence of nitrification versus denitrification. We identify and compare the time scale of the biological oxygen consumption with the time scale of physical diffusion. Starting from well-aerated conditions, as bacteria consume O2 in solution, more oxygen dissolves from the atmosphere - depending on gas-filled porosity. If water dynamics or tillage limits re-aeration, this can affect the equilibrium between the aqueous and the gaseous phase and thus alter the time scale of the reactions. This balance between consumption and re-aeration by diffusion ultimately controls the water quality as well the production of trace gases.

  7. Gas transport processes in sea ice: How convection and diffusion processes might affect biological imprints, a challenge for modellers

    DEFF Research Database (Denmark)

    Tison, J.-L.; Zhou, Shaola J. G.; Thomas, D. N.

    2012-01-01

    ice cover. These rates were however obtained surmising that neither convection, nor diffusion had affected the gas concentration profiles in the ice between discrete ice core collections. This paper discusses examples from three different field surveys (the above-mentioned Barrow experiment......, the INTERICE IV tank experiment in Hamburg and a short field survey close to the Kapisilit locality in the South-East Greenland fjords) where convection or diffusion processes have clearly affected the temporal evolution of the gas profiles in the ice, therefore potentially affecting biological signatures....... The INTERICE IV and Barrow experiment show that the initial equilibrium dissolved gas entrapment within the skeletal layer basically governs most of the profiles higher up in the sea ice cover during the active sea ice growth. However, as the ice layers age and cool down under the temperature gradient, bubble...

  8. Abnormal Gas Diffusing Capacity and Portosystemic Shunt in Patients With Chronic Liver Disease

    Science.gov (United States)

    Park, Moon-Seung; Lee, Min-Ho; Park, Yoo-Sin; Kim, Shin-Hee; Kwak, Min-Jung; Kang, Ju-Seop

    2012-01-01

    Background Pulmonary dysfunctions including the hepatopulmonary syndrome and portosystemic shunt are important complications of hepatic cirrhosis. To investigate the severity and nature of abnormal gas diffusing capacity and its correlation to portosystemic shunt in patients with chronic liver disease. Methods Forty-four patients with chronic liver disease (15 chronic active hepatitis (CAH), 16 Child-Pugh class A, and 13 Child-Pugh class B) without other diseases history were enrolled in the study. Evaluation of liver function tests, arterial blood gases analysis, ultrasonography, pulmonary function test including lung diffusing capacity of carbon monoxide (DLco), forced vital capacity(FVC), forced expiratory volume 1 seconds(FEV1), total lung capacity(TLC), DLco/AV(alveolar volume) and thallium-201 per rectum scintigraphy were performed. We were analyzed correlations between pulmonary function abnormalities and heart/liver (H/L) ratio in patients with chronic liver diseases. Results In CAH, percentage of patients with DLco and DLco/VA (Child-Pugh class A and B patients. The means of DLco and DLco/VA were significantly (P Child-Pugh class. The mean H/L ratio in Child-Pugh class B increased markedly (P Child-Pugh class A. The frequency of specific pulmonary function abnormality in patients with Child-Pugh class B was significantly (P Child-Pugh class A and CAH. There was a inverse linear correlation between H/L ratio and DLco (r = -0.339, P < 0.05) and DLco/VA (r = -0.480, P < 0.01). Conclusion A total of 62% of patients with advanced liver disease have abnormal pulmonary diffusion capacity with a reduced DLco or DLco/VA and abnormal portosystemic shunt (increased H/L ratio) is common hemodynamic abnormality. Therefore, inverse linear correlation between DLco or DLco/VA and H/L ratio may be an important factor in predicting pulmonary complication and meaningful diagnostic and prognostic parameters in patients with advanced chronic liver disease. PMID:27785203

  9. Lithium ion diffusion measurements on a garnet-type solid conductor Li6.6La3Zr1.6Ta0.4O12 by using a pulsed-gradient spin-echo NMR method.

    Science.gov (United States)

    Hayamizu, Kikuko; Matsuda, Yasuaki; Matsui, Masaki; Imanishi, Nobuyuki

    2015-09-01

    The garnet-type solid conductor Li7-xLa3Zr2-xTaxO12 is known to have high ionic conductivity. We synthesized a series of compositions of this conductor and found that cubic Li6.6La3Zr1.6Ta0.4O12 (LLZO-Ta) has a high ionic conductivity of 3.7×10(-4)Scm(-1) at room temperature. The (7)Li NMR spectrum of LLZO-Ta was composed of narrow and broad components, and the linewidth of the narrow component varied from 0.69kHz (300K) to 0.32kHz (400K). We carried out lithium ion diffusion measurements using pulsed-field spin-echo (PGSE) NMR spectroscopy and found that echo signals were observed at T≥313K with reasonable sensitivity. The lithium diffusion behavior was measured by varying the observation time and pulsed-field gradient (PFG) strength between 313 and 384K. We found that lithium diffusion depended significantly on the observation time and strength of the PFG, which is quite different from lithium ion diffusion in liquids. It was shown that lithium ion migration in the solid conductor was distributed widely in both time and space. Copyright © 2015 Elsevier Inc. All rights reserved.

  10. New Perspectives on the Dynamical State of Extraplanar Diffuse Ionized Gas Layers

    Science.gov (United States)

    Boettcher, Erin; Zweibel, Ellen; Gallagher, John S.; Benjamin, Robert A.

    2018-01-01

    Gaseous, disk-halo interfaces are an important boundary in the baryon cycle in galaxies like the Milky Way, and their structure, support, and kinematics carry clues about the star formation feedback and accretion processes that produce them. Due to their unexpectedly large scale heights, which are often several times greater than their thermal scale heights, it is unclear whether they are in dynamical equilibrium, or are evidence of a galactic fountain, wind, or accretion flow. In the nearby, edge-on disk galaxies NGC 891 and NGC 5775, we test a dynamical equilibrium model of the extraplanar diffuse ionized gas (eDIG) layer by quantifying the thermal, turbulent, magnetic field, and cosmic ray pressure gradients using optical emission-line spectroscopy from the SparsePak IFU at the WIYN Observatory and the Robert Stobie Spectrograph on the Southern African Large Telescope and radio continuum observations from Continuum Halos in Nearby Galaxies - an EVLA Survey. The vertical pressure gradients are too shallow to produce the observed scale heights at the moderate galactocentric radii where the gas is believed to be found (R elevated [NII]/Hα and [SII]/Hα line ratios. The median, line-of-sight velocity dispersion of the eDIG layer, σ = 96 km/s, greatly exceeds the horizontal velocity dispersions observed in edge-on eDIG layers (σ = 20 - 60 km/s), presenting the possibility that these layers have anisotropic random motions. The role of an anisotropic velocity dispersion in producing eDIG scale heights, as well as the absence of evidence for large-scale inflow or outflow, motivates further study of eDIG dynamics in face-on galaxies with a range of star formation rates. This work was supported by the NSF GRFP under Grant No. DGE-1256259.

  11. Diffuse ionized gas in galaxies across the Hubble sequence at the CALIFA resolution

    Science.gov (United States)

    Lacerda, E. A. D.; Cid Fernandes, R.; Couto, G. S.; Stasińska, G.; García-Benito, R.; Vale Asari, N.; Pérez, E.; González Delgado, R. M.; Sánchez, S. F.; de Amorim, A. L.

    2018-03-01

    We use spatially resolved spectroscopy from the Calar Alto Legacy Integral Field Area (CALIFA) survey to study the nature of the line emitting gas in galaxies of different Hubble types, focusing on the separation of star-forming (SF) regions from those better characterized as diffuse ionized gas (DIG). The diagnosis is carried out in terms of the equivalent width of H α (WH α). Three nebular regimes are identified. Regions where WH α 14 Å trace SF complexes. WH α values in the intermediate 3-14 Å range reflect a mixed regime (mDIG) where more than one process contributes. This three-tier scheme is inspired both by theoretical and empirical considerations. Its application to CALIFA galaxies of different types and inclinations leads to the following results: (i) the hDIG component is prevalent throughout ellipticals and S0's as well as in bulges, and explains the strongly bimodal distribution of WH α both among and within galaxies. (ii) Early-type spirals have some hDIG in their discs, but this component becomes progressively less relevant for later Hubble types. (iii) hDIG emission is also present above and below galactic discs, as seen in several edge-on spirals in our sample. (iv) The SF/mDIG proportion grows steadily from early- to late-type spirals, and from inner to outer radii. (v) Besides circumventing basic inconsistencies in conventional DIG/SF separation criteria based on the H α surface brightness, our WH α-based method produces results in agreement with a classical excitation diagram analysis.

  12. Dynamic characterization of partially saturated engineered porous media and gas diffusion layers using hydraulic admittance

    Science.gov (United States)

    Cheung, Perry; Fairweather, Joseph D.; Schwartz, Daniel T.

    2012-09-01

    Simple laboratory methods for determining liquid water distribution in polymer electrolyte membrane fuel cell gas diffusion layers (GDLs) are needed to engineer better GDL materials. Capillary pressure vs. liquid saturation measurements are attractive, but lack the ability to probe the hydraulic interconnectivity and distribution within the pore structure. Hydraulic admittance measurements of simple capillary bundles have recently been shown to nicely measure characteristics of the free-interfaces and hydraulic path. Here we examine the use of hydraulic admittance with a succession of increasingly complex porous media, starting with a laser-drilled sample with 154 asymmetric pores and progress to the behavior of Toray TGP-H090 carbon papers. The asymmetric laser-drilled sample clearly shows hydraulic admittance measurements are sensitive to sample orientation, especially when examined as a function of saturation state. Finite element modeling of the hydraulic admittance is consistent with experimental measurements. The hydraulic admittance spectra from GDL samples are complex, so we examine trends in the spectra as a function of wet proofing (0% and 40% Teflon loadings) as well as saturation state of the GDL. The presence of clear peaks in the admittance spectra for both GDL samples suggests a few pore types are largely responsible for transporting liquid water.

  13. Variable pore connectivity model linking gas diffusivity and air-phase tortuosity to soil matric potential

    DEFF Research Database (Denmark)

    Chamindu, Deepagoda; Møldrup, Per; Schjønning, Per

    2012-01-01

    - and intraaggregate pore regions of aggregated soils. We further suggest that the new model with parameter values of X* = 1.7 and A = 0 may be used for upper limit Dp/Do predictions in risk assessments of, e.g., fluxes of toxic volatile organics from soil to indoor air at polluted soil sites....... of a variable pore connectivity factor, X, as a function of soil matric potential, expressed as pF (=log |−ψ|), for pF values ranging from 1.0 to 3.5. The new model takes the form of X = X* (F/F*)A with F = 1 + pF−1, where X* is the pore network tortuosity at reference F (F*) and A is a model parameter...... that accounts for water blockage. The X–pF relation can be linked to drained pore size to explain the lower probability of the larger but far fewer air-filled pores at lower pF effectively interconnecting and promoting gas diffusion. The model with X* = 2 and A = 0.5 proved promising for generalizing Dp...

  14. Diffusion and Gas Conversion Analysis of Solid Oxide Fuel Cells at Loads via AC Impedance

    Directory of Open Access Journals (Sweden)

    Robert U. Payne

    2011-01-01

    Full Text Available Impedance measurements were conducted under practical load conditions in solid oxide fuel cells of differing sizes. For a 2 cm2 button cell, impedance spectra data were separately measured for the anode, cathode, and total cell. Improved equivalent circuit models are proposed and applied to simulate each of measured impedance data. Circuit elements related to the chemical and physical processes have been added to the total-cell model to account for an extra relaxation process in the spectra not measured at either electrode. The processes to which elements are attributed have been deduced by varying cell temperature, load current, and hydrogen concentration. Spectra data were also obtained for a planar stack of five 61 cm2 cells and the individual cells therein, which were fitted to a simplified equivalent circuit model of the total button cell. Similar to the button cell, the planar cells and stack exhibit a pronounced low-frequency relaxation process, which has been attributed to concentration losses, that is, the combined effects of diffusion and gas conversion. The simplified total-cell model approximates well the dynamic behavior of the SOFC cells and the whole stack.

  15. Two-phase behavior and compression effects in the PEFC gas diffusion medium

    Energy Technology Data Exchange (ETDEWEB)

    Mukherjee, Partha P [Los Alamos National Laboratory; Kang, Qinjun [Los Alamos National Laboratory; Schulz, Volker P [APL-LANDAU GMBH; Wang, Chao - Yang [PENN STATE UNIV; Becker, Jurgen [NON LANL; Wiegmann, Andreas [NON LANL

    2009-01-01

    A key performance limitation in the polymer electrolyte fuel cell (PEFC), manifested in terms of mass transport loss, originates from liquid water transport and resulting flooding phenomena in the constituent components. A key contributor to the mass transport loss is the cathode gas diffusion layer (GDL) due to the blockage of available pore space by liquid water thus rendering hindered oxygen transport to the active reaction sites in the electrode. The GDL, therefore, plays an important role in the overall water management in the PEFC. The underlying pore-morphology and the wetting characteristics have significant influence on the flooding dynamics in the GDL. Another important factor is the role of cell compression on the GDL microstructural change and hence the underlying two-phase behavior. In this article, we present the development of a pore-scale modeling formalism coupled With realistic microstructural delineation and reduced order compression model to study the structure-wettability influence and the effect of compression on two-phase behavior in the PEFC GDL.

  16. Gas-diffusion microextraction coupled with spectrophotometry for the determination of formaldehyde in cork agglomerates.

    Science.gov (United States)

    Brandão, Pedro F; Ramos, Rui M; Valente, Inês M; Almeida, Paulo J; Carro, Antonia M; Lorenzo, Rosa A; Rodrigues, José A

    2017-04-01

    In this work, a simple methodology was developed for the extraction and determination of free formaldehyde content in cork agglomerate samples. For the first time, gas-diffusion microextraction was used for the extraction of volatile formaldehyde directly from samples, with simultaneous derivatization with acetylacetone (Hantzsch reaction). The absorbance of the coloured solution was read in a spectrophotometer at 412 nm. Different extraction parameters were studied and optimized (extraction temperature, sample mass, volume of acceptor solution, extraction time and concentration of derivatization reagent) by means of an asymmetric screening. The developed methodology proved to be a reliable tool for the determination of formaldehyde in cork agglomerates with the following suitable method features: low LOD (0.14 mg kg -1 ) and LOQ (0.47 mg kg -1 ), r 2  = 0.9994, and intraday and interday precision of 3.5 and 4.9%, respectively. The developed methodology was applied to the determination of formaldehyde in different cork agglomerate samples, and contents between 1.9 and 9.4 mg kg -1 were found. Furthermore, formaldehyde was also determined by the standard method EN 717-3 for comparison purposes; no significant differences between the results of both methods were observed. Graphical abstract Representation of the GDME system and its main components.

  17. The kinetic Sunyaev-Zel'dovich effect from the diffuse gas in the Local Group

    International Nuclear Information System (INIS)

    Rubin, Douglas; Loeb, Abraham

    2014-01-01

    Since the Local Group (LG) of galaxies moves with a bulk velocity with respect to the cosmic microwave background radiation (CMB), free electrons in its gaseous halo should imprint large-scale non-primordial temperature shifts in the CMB via the kinetic Sunyaev-Zel'dovich (kSZ) effect. By modeling the distribution of gas in the LG halo and using its inferred velocity with respect to the CMB, we calculate the resulting kSZ signal from the diffuse LG medium. We find that it is dominated by a hot spot ∼ 10° in size in the direction of M31, where the optical depth of free electrons is the greatest. By performing a correlation analysis, we find no statistical evidence that the kSZ signal from model of the LG halo is embedded in the CMB temperature map measured by the Planck satellite. We constrain the amount of mass in the LG halo by limiting the kSZ temperature shift around the hot spot to be smaller than the observed temperature shift in the Planck map. We find the tightest constraints for models where the halo mass is highly concentrated, with the mass limited to roughly 2.5–5 × 10 12 M ⊙ , but note that halos with such high concentrations are rare

  18. Determination of Diffusion Coefficients and Activation Energy of Selected Organic Liquids using Reversed-Flow Gas Chromatographic Technique

    International Nuclear Information System (INIS)

    Khalisanni Khalid; Rashid Atta Khan; Sharifuddin Mohd Zain

    2012-01-01

    Evaporation of vaporize organic liquid has ecological consequences when the compounds are introduced into both freshwater and marine environments through industrial effluents, or introduced directly into the air from industrial unit processes such as bioreactors and cooling towers. In such cases, a rapid and simple method are needed to measure physicochemical properties of the organic liquids. The Reversed-Flow Gas Chromatography (RF-GC) sampling technique is an easy, fast and accurate procedure. It was used to measure the diffusion coefficients of vapors from liquid into a carrier gas and at the same time to determine the rate coefficients for the evaporation of the respective liquid. The mathematical expression describing the elution curves of the samples peaks was derived and used to calculate the respective parameters for the selected liquid pollutants selected such as methanol, ethanol, 1-propanol, 1-butanol, n-pentane, n-hexane, n-heptane and n-hexadecane, evaporating into the carrier gas of nitrogen. The values of diffusion coefficients found were compared with those calculated theoretically or reported in the literature. The values of evaporation rate were used to determine the activation energy of respective samples using Arrhenius equation. An interesting finding of this work is by using an alternative mathematical analysis based on equilibrium at the liquid-gas interphase, the comparison leads to profound agreement between theoretical values of diffusion coefficients and experimental evidence. (author)

  19. Improving estimates of subsurface gas transport in unsaturated fractured media using experimental Xe diffusion data and numerical methods

    Science.gov (United States)

    Ortiz, J. P.; Ortega, A. D.; Harp, D. R.; Boukhalfa, H.; Stauffer, P. H.

    2017-12-01

    Gas transport in unsaturated fractured media plays an important role in a variety of applications, including detection of underground nuclear explosions, transport from volatile contaminant plumes, shallow CO2 leakage from carbon sequestration sites, and methane leaks from hydraulic fracturing operations. Gas breakthrough times are highly sensitive to uncertainties associated with a variety of hydrogeologic parameters, including: rock type, fracture aperture, matrix permeability, porosity, and saturation. Furthermore, a couple simplifying assumptions are typically employed when representing fracture flow and transport. Aqueous phase transport is typically considered insignificant compared to gas phase transport in unsaturated fracture flow regimes, and an assumption of instantaneous dissolution/volatilization of radionuclide gas is commonly used to reduce computational expense. We conduct this research using a twofold approach that combines laboratory gas experimentation and numerical modeling to verify and refine these simplifying assumptions in our current models of gas transport. Using a gas diffusion cell, we are able to measure air pressure transmission through fractured tuff core samples while also measuring Xe gas breakthrough measured using a mass spectrometer. We can thus create synthetic barometric fluctuations akin to those observed in field tests and measure the associated gas flow through the fracture and matrix pore space for varying degrees of fluid saturation. We then attempt to reproduce the experimental results using numerical models in PLFOTRAN and FEHM codes to better understand the importance of different parameters and assumptions on gas transport. Our numerical approaches represent both single-phase gas flow with immobile water, as well as full multi-phase transport in order to test the validity of assuming immobile pore water. Our approaches also include the ability to simulate the reaction equilibrium kinetics of dissolution

  20. Hydrogen Oxidation on Gas Diffusion Electrodes for Phosphoric Acid Fuel Cells in the Presence of Carbon Monoxide and Oxygen

    DEFF Research Database (Denmark)

    Gang, Xiao; Li, Qingfeng; Hjuler, Hans Aage

    1995-01-01

    Hydrogen oxidation has been studied on a carbon-supported platinum gas diffusion electrode in a phosphoric acidelectrolyte in the presence of carbon monoxide and oxygen in the feed gas. The poisoning effect of carbon monoxide presentin the feed gas was measured in the temperature range from 80...... to 150°C. It was found that throughout the temperaturerange, the potential loss due to the CO poisoning can be reduced to a great extent by the injection of small amounts ofgaseous oxygen into the hydrogen gas containing carbon monoxide. By adding 5 volume percent (v/o) oxygen, an almost......CO-free performance can be obtained for carbon monoxide concentrations up to 0.5 v/o CO at 130°C, 0.2 v/o CO at 100°C,and 0.1 v/o CO at 80°C, respectively....

  1. Relaxation-compensated difference spin diffusion NMR for detecting 13C–13C long-range correlations in proteins and polysaccharides

    International Nuclear Information System (INIS)

    Wang, Tuo; Williams, Jonathan K.; Schmidt-Rohr, Klaus; Hong, Mei

    2015-01-01

    The measurement of long-range distances remains a challenge in solid-state NMR structure determination of biological macromolecules. In 2D and 3D correlation spectra of uniformly 13 C-labeled biomolecules, inter-residue, inter-segmental, and intermolecular 13 C– 13 C cross peaks that provide important long-range distance constraints for three-dimensional structures often overlap with short-range cross peaks that only reflect the covalent structure of the molecule. It is therefore desirable to develop new approaches to obtain spectra containing only long-range cross peaks. Here we show that a relaxation-compensated modification of the commonly used 2D 1 H-driven spin diffusion (PDSD) experiment allows the clean detection of such long-range cross peaks. By adding a z-filter to keep the total z-period of the experiment constant, we compensate for 13 C T 1 relaxation. As a result, the difference spectrum between a long- and a scaled short-mixing time spectrum show only long-range correlation signals. We show that one- and two-bond cross peaks equalize within a few tens of milliseconds. Within ∼200 ms, the intensity equilibrates within an amino acid residue and a monosaccharide to a value that reflects the number of spins in the local network. With T 1 relaxation compensation, at longer mixing times, inter-residue and inter-segmental cross peaks increase in intensity whereas intra-segmental cross-peak intensities remain unchanged relative to each other and can all be subtracted out. Without relaxation compensation, the difference 2D spectra exhibit both negative and positive intensities due to heterogeneous T 1 relaxation in most biomolecules, which can cause peak cancellation. We demonstrate this relaxation-compensated difference PDSD approach on amino acids, monosaccharides, a crystalline model peptide, a membrane-bound peptide and a plant cell wall sample. The resulting difference spectra yield clean multi-bond, inter-residue and intermolecular correlation peaks

  2. Swirl and blade wakes in the interaction between gas turbines and exhaust diffusers investigated by endoscopic particle image velocimetry

    Energy Technology Data Exchange (ETDEWEB)

    Opilat, Victor

    2011-10-21

    Exhaust diffusers studied in this thesis are installed behind the last turbine stage of gas turbines, including those used in combined cycle power plants. Extensive research made in recent years proved that effects caused by an upstream turbine need to be taken into account when designing efficient diffusers. Under certain conditions these effects can stabilize the boundary layer in diffusers and prevent separation. In this research the impact of multiple parameters, such as tip leakage flow, swirl, and rotating blade wakes, on the performance of a diffuser is studied. Experiments were conducted using a diffuser test rig with a rotating bladed wheel as a turbine effect generator and with an additional tip leakage flow insert. The major advantages of this test rig are modularity and easy variation of the main parameters. To capture the complexity and understand the physics of diffuser flow, and to clarify the phenomenon of the flow stabilisation, the 2D endoscopic laser optical measurement technique Partide Image Velocimetry (PIV) was adopted to the closed ''rotating'' diffuser test rig. Intensity and distribution of vortices in the blade tip area are decisive for diffuser performance. Large vortices in the annular diffuser inlet behind the blade tips interact with the boundary layer in diffusers. At design point these vortices are very early suppressed by the main flow. For the operating point with a low value of the flow coefficient (negative swirl), vortices are ab out two tim es stronger than for design point and the boundary layer is destabilized. V mtices develop in the direction contrary to swirl in the main flow and just cause flow destabilization. Coherent back flow zones are induced and reduction of diffuser performance occurs. For the operating point with positive swirl (for a high flow coefficient value), these vortices are also strong but do not counteract the main flow because they develop in the same direction with the swirl in the

  3. Monte-Carlo analysis of rarefied-gas diffusion including variance reduction using the theory of Markov random walks

    Science.gov (United States)

    Perlmutter, M.

    1973-01-01

    Molecular diffusion through a rarefied gas is analyzed by using the theory of Markov random walks. The Markov walk is simulated on the computer by using random numbers to find the new states from the appropriate transition probabilities. As the sample molecule during its random walk passes a scoring position, which is a location at which the macroscopic diffusing flow variables such as molecular flux and molecular density are desired, an appropriate payoff is scored. The payoff is a function of the sample molecule velocity. For example, in obtaining the molecular flux across a scoring position, the random walk payoff is the net number of times the scoring position has been crossed in the positive direction. Similarly, when the molecular density is required, the payoff is the sum of the inverse velocity of the sample molecule passing the scoring position. The macroscopic diffusing flow variables are then found from the expected payoff of the random walks.

  4. A novel full-field experimental method to measure the local compressibility of gas diffusion media

    Energy Technology Data Exchange (ETDEWEB)

    Lai, Yeh-Hung; Li, Yongqiang [Electrochemical Energy Research Lab, GM R and D, Honeoye Falls, NY 14472 (United States); Rock, Jeffrey A. [GM Powertrain, Honeoye Falls, NY 14472 (United States)

    2010-05-15

    The gas diffusion medium (GDM) in a proton exchange membrane (PEM) fuel cell needs to simultaneously satisfy the requirements of transporting reactant gases, removing product water, conducting electrons and heat, and providing mechanical support to the membrane electrode assembly (MEA). Concerning the localized over-compression which may force carbon fibers and other conductive debris into the membrane to cause fuel cell failure by electronically shorting through the membrane, we have developed a novel full-field experimental method to measure the local thickness and compressibility of GDM. Applying a uniform air pressure upon a thin polyimide film bonded on the top surface of the GDM with support from the bottom by a flat metal substrate and measuring the thickness change using the 3-D digital image correlation technique with an out-of-plane displacement resolution less than 0.5 {mu}m, we have determined the local thickness and compressive stress/strain behavior in the GDM. Using the local thickness and compressibility data over an area of 11.2 mm x 11.2 mm, we numerically construct the nominal compressive response of a commercial Toray trademark TGP-H-060 based GDM subjected to compression by flat platens. Good agreement in the nominal stress/strain curves from the numerical construction and direct experimental flat-platen measurement confirms the validity of the methodology proposed in this article. The result shows that a nominal pressure of 1.4 MPa compressed between two flat platens can introduce localized compressive stress concentration of more than 3 MPa in up to 1% of the total area at various locations from several hundred micrometers to 1 mm in diameter. We believe that this full-field experimental method can be useful in GDM material and process development to reduce the local hard spots and help to mitigate the membrane shorting failure in PEM fuel cells. (author)

  5. A novel full-field experimental method to measure the local compressibility of gas diffusion media

    Science.gov (United States)

    Lai, Yeh-Hung; Li, Yongqiang; Rock, Jeffrey A.

    The gas diffusion medium (GDM) in a proton exchange membrane (PEM) fuel cell needs to simultaneously satisfy the requirements of transporting reactant gases, removing product water, conducting electrons and heat, and providing mechanical support to the membrane electrode assembly (MEA). Concerning the localized over-compression which may force carbon fibers and other conductive debris into the membrane to cause fuel cell failure by electronically shorting through the membrane, we have developed a novel full-field experimental method to measure the local thickness and compressibility of GDM. Applying a uniform air pressure upon a thin polyimide film bonded on the top surface of the GDM with support from the bottom by a flat metal substrate and measuring the thickness change using the 3-D digital image correlation technique with an out-of-plane displacement resolution less than 0.5 μm, we have determined the local thickness and compressive stress/strain behavior in the GDM. Using the local thickness and compressibility data over an area of 11.2 mm × 11.2 mm, we numerically construct the nominal compressive response of a commercial Toray™ TGP-H-060 based GDM subjected to compression by flat platens. Good agreement in the nominal stress/strain curves from the numerical construction and direct experimental flat-platen measurement confirms the validity of the methodology proposed in this article. The result shows that a nominal pressure of 1.4 MPa compressed between two flat platens can introduce localized compressive stress concentration of more than 3 MPa in up to 1% of the total area at various locations from several hundred micrometers to 1 mm in diameter. We believe that this full-field experimental method can be useful in GDM material and process development to reduce the local hard spots and help to mitigate the membrane shorting failure in PEM fuel cells.

  6. Influence of environmental variables on diffusive greenhouse gas fluxes at hydroelectric reservoirs in Brazil

    Directory of Open Access Journals (Sweden)

    JP. Rogério

    Full Text Available For almost two decades, studies have been under way in Brazil, showing how hydroelectric reservoirs produce biogenic gases, mainly methane (CH4 and carbon dioxide (CO2, through the organic decomposition of flooded biomass. This somewhat complex phenomenon is due to a set of variables with differing levels of interdependence that directly or indirectly affect greenhouse gas (GHG emissions. The purpose of this paper is to determine, through a statistical data analysis, the relation between CO2, CH4 diffusive fluxes and environmental variables at the Furnas, Itumbiara and Serra da Mesa hydroelectric reservoirs, located in the Cerrado biome on Brazil's high central plateau. The choice of this region was prompted by its importance in the national context, covering an area of some two million square kilometers, encompassing two major river basins (Paraná and Tocantins-Araguaia, with the largest installed power generation capacity in Brazil, together accounting for around 23% of Brazilian territory. This study shows that CH4 presented a moderate negative correlation between CO2 and depth. Additionally, a moderate positive correlation was noted for pH, water temperature and wind. The CO2 presented a moderate negative correlation for pH, wind speed, water temperature and air temperature. Additionally, a moderate positive correlation was noted for CO2 and water temperature. The complexity of the emission phenomenon is unlikely to occur through a simultaneous understanding of all the factors, due to difficulties in accessing and analyzing all the variables that have real, direct effects on GHG production and emission.

  7. Influence of environmental variables on diffusive greenhouse gas fluxes at hydroelectric reservoirs in Brazil.

    Science.gov (United States)

    Rogério, J P; Santos, M A; Santos, E O

    2013-11-01

    For almost two decades, studies have been under way in Brazil, showing how hydroelectric reservoirs produce biogenic gases, mainly methane (CH4) and carbon dioxide (CO2), through the organic decomposition of flooded biomass. This somewhat complex phenomenon is due to a set of variables with differing levels of interdependence that directly or indirectly affect greenhouse gas (GHG) emissions. The purpose of this paper is to determine, through a statistical data analysis, the relation between CO2, CH4 diffusive fluxes and environmental variables at the Furnas, Itumbiara and Serra da Mesa hydroelectric reservoirs, located in the Cerrado biome on Brazil's high central plateau. The choice of this region was prompted by its importance in the national context, covering an area of some two million square kilometers, encompassing two major river basins (Paraná and Tocantins-Araguaia), with the largest installed power generation capacity in Brazil, together accounting for around 23% of Brazilian territory. This study shows that CH4 presented a moderate negative correlation between CO2 and depth. Additionally, a moderate positive correlation was noted for pH, water temperature and wind. The CO2 presented a moderate negative correlation for pH, wind speed, water temperature and air temperature. Additionally, a moderate positive correlation was noted for CO2 and water temperature. The complexity of the emission phenomenon is unlikely to occur through a simultaneous understanding of all the factors, due to difficulties in accessing and analyzing all the variables that have real, direct effects on GHG production and emission.

  8. Modeling of oxygen gas diffusion and consumption during the oxic transient in a disposal cell of radioactive waste

    International Nuclear Information System (INIS)

    De Windt, Laurent; Marsal, François; Corvisier, Jérôme; Pellegrini, Delphine

    2014-01-01

    Highlights: • This paper deals with the geochemistry of underground HLW disposals. • The oxic transient is a key issue in performance assessment (e.g. corrosion, redox). • A reactive transport model is explicitly coupled to gas diffusion and reactivity. • Application to in situ experiment (Tournemire laboratory) and HLW disposal cell. • Extent of the oxidizing/reducing front is investigated by sensitivity analysis. - Abstract: The oxic transient in geological radioactive waste disposals is a key issue for the performance of metallic components that may undergo high corrosion rates under such conditions. A previous study carried out in situ in the argillite formation of Tournemire (France) has suggested that oxic conditions could have lasted several years. In this study, a multiphase reactive transport model is performed with the code HYTEC to analyze the balance between the kinetics of pyrite oxidative dissolution, the kinetics of carbon steel corrosion and oxygen gas diffusion when carbon steel components are emplaced in the geological medium. Two cases were modeled: firstly, the observations made in situ have been reproduced, and the model established was then applied to a disposal cell for high-level waste (HLW) in an argillaceous formation, taking into account carbon steel components and excavated damaged zones (EDZ). In a closed system, modeling leads to a complete and fast consumption of oxygen in both cases. Modeling results are more consistent with the in situ test while considering residual voids between materials and/or a water unsaturated state allowing for oxygen gas diffusion (open conditions). Under similar open conditions and considering ventilation of the handling drifts, a redox contrast occurs between reducing conditions at the back of the disposal cell (with anoxic corrosion of steel and H 2 production) and oxidizing conditions at the front of the cell (with oxic corrosion of steel). The extent of the oxidizing/reducing front in the

  9. Coupled reaction-diffusion equations to model the fission gas release in the irradiation of the uranium dioxide

    International Nuclear Information System (INIS)

    Moyano, Edgardo A.; Scarpettini, Alberto F.

    2003-01-01

    A semi linear model of weakly coupled parabolic p.d.e. with reaction-diffusion is investigated. The system describes fission gas transfer from grain interior of UO 2 to grain boundaries. The problem is studied in a bounded domain. Using the upper-lower solutions method, two monotone sequences for the finite differences equations are constructed. Reasons are mentioned that allow to affirm that in the proposed functional sector the algorithm converges to the unique solution of the differential system. (author)

  10. A new gas/supercritical fluid (SCF diffusivity measurement method for CO2 saturated polymer systems using a dielectric property

    Directory of Open Access Journals (Sweden)

    S. X. Yao

    2017-08-01

    Full Text Available In this research, theoretical CO2 diffusivity coefficients in amorphous polymers were calculated from dielectric constant changes during CO2 desorption. These values showed agreement with experimental diffusivity coefficients from a gravimetric method. Three amorphous polymer films made from Polystyrene (PS, Polycarbonate (PC, and Cyclic Olefin Polymer (COP resins were saturated with supercritical CO2 at 5.5 MPa and 25 °C for 24 hours in a pressure chamber. The CO2 infused films were removed from the chamber for gas desorption experiments. The capacitance of the samples were recorded with an Inductance, Capacitance and Resistance (LCR meter. These values were used to calculate the change in dielectric constants. CO2 weight percentages measured by a scale was used to calculate experimental diffusivity and solubility coefficients. It was found that the trend of dielectric constant changes was similar to that of the CO2 weight percentage changes during gas desorption. A mathematical model was built to predict the CO2 weight percentages during desorption from the measured dielectric constants. Theoretical diffusivity coefficients from this work agree well with literature data.

  11. Comparative study on occurrence characteristics of matrix water in static and gas double-dynamic solid-state fermentations using low-field NMR and MRI.

    Science.gov (United States)

    He, Qin; Chen, Hong-zhang

    2015-12-01

    The water in a solid substrate is generally divided into three forms: hygroscopic, capillary, and free. However, there are few methods available for detecting the contents of different states of water in substrates. In this paper, low-field NMR and MRI were used to analyze the water occurrence characteristics of steam-exploded corn straw in solid-state fermentation (SSF). A significant linear relationship was found between the total NMR peak areas and the total water contents with a correlation coefficient of 0.993. It was further proved to be successful in comparing the contents and distributions of different states of water in static SSF and gas double-dynamic SSF (GDD-SSF). The results showed that among the three states of water, capillary water was the main form of water present and lost in substrates during fermentation. Total water and capillary water contents did not significantly differ as a result of different sample treatments, but hygroscopic water and free water contents in static SSF were respectively 0.38 and 2.98 times that in GDD-SSF with a packing height of 3 cm after fermentation. A relatively uniform water distribution and deep-depth region for microbial growth were found in GDD-SSF, suggesting that GDD-SSF was more suitable for industrialization. This technology has great potential for achieving efficient on-line water supply through water loss detection in SSF.

  12. Pulmonary gas exchange efficiency during exercise breathing normoxic and hypoxic gas in adults born very preterm with low diffusion capacity.

    Science.gov (United States)

    Duke, Joseph W; Elliott, Jonathan E; Laurie, Steven S; Beasley, Kara M; Mangum, Tyler S; Hawn, Jerold A; Gladstone, Igor M; Lovering, Andrew T

    2014-09-01

    Adults with a history of very preterm birth (breathing hypoxic gas because of a reduced O2 driving gradient and pulmonary capillary transit time. We hypothesized that PRET would have significantly worse pulmonary gas exchange efficiency [i.e., increased alveolar-to-arterial Po2 difference (AaDO2)] during exercise breathing room air or hypoxic gas (FiO2 = 0.12) compared with CONT. To test this hypothesis, we compared the AaDO2 in PRET (n = 13) with a clinically mild reduction in DLCO (72 ± 7% of predicted) and CONT (n = 14) with normal DLCO (105 ± 10% of predicted) pre- and during exercise breathing room air and hypoxic gas. Measurements of temperature-corrected arterial blood gases, and direct measure of O2 saturation (SaO2), were made prior to and during exercise at 25, 50, and 75% of peak oxygen consumption (V̇o2peak) while breathing room air and hypoxic gas. In addition to DLCO, pulmonary function and exercise capacity were significantly less in PRET. Despite PRET having low DLCO, no differences were observed in the AaDO2 or SaO2 pre- or during exercise breathing room air or hypoxic gas compared with CONT. Although our findings were unexpected, we conclude that reduced pulmonary function and low DLCO resulting from very preterm birth does not cause a measureable reduction in pulmonary gas exchange efficiency. Copyright © 2014 the American Physiological Society.

  13. Milestone report: The simulation of radiation driven gas diffusion in UO2 at low temperature

    Energy Technology Data Exchange (ETDEWEB)

    Cooper, Michael William [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Kuganathan, Navaratnarajah [Imperial College, London (United Kingdom); Burr, Patrick A [Univ. of New South Wales (Australia); Rushton, Michael J. [Imperial College, London (United Kingdom); Grimes, Robin W [Imperial College, London (United Kingdom); Turbull, James Anthony [Independent Consultant (United Kingdom); Stanek, Christopher Richard [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Andersson, Anders David [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2016-10-24

    Below 1000 K it is thought that fission gas diffusion in nuclear fuel during irradiation occurs through atomic mixing due to radiation damage. This is an important process for nuclear reactor performance as it affects fission gas release, particularly from the periphery of the pellet where such temperatures are normal. Here we present a molecular dynamics study of Xe and Kr diffusion due to irradiation. Thermal spikes and cascades have been used to study the electronic stopping and ballistic phases of damage, respectively. Our results predict that O and Kr exhibit the greatest diffusivity and U the least, while Xe lies in between. It is concluded that the ballistic phase does not sufficiently account for the experimentally observed diffusion. Preliminary thermal spike calculations indicate that the electronic stopping phase generates greater fission gas displacement than the ballistic phase, although further calculation must be carried out to confirm this. A good description of the system by the empirical potentials is important over the very wide temperatures induced during thermal spike and damage cascade simulations. This has motivated the development of a parameter set for gas-actinide and gas-oxygen interactions that is complementary for use with a recent many-body potential set. A comprehensive set of density functional theory (DFT) calculations were used to study Xe and Kr incorporation at a number of sites in CeO2, ThO2, UO2 and PuO2. These structures were used to fit a potential, which was used to generate molecular dynamics (MD) configurations incorporating Xe and Kr at 300 K, 1500 K, 3000 K and 5000 K. Subsequent matching to the forces predicted by DFT for these MD configurations was used to refine the potential set. This fitting approach ensured weighted fitting to configurations that are thermodynamically significant over a broad temperature range, while avoiding computationally expensive DFT-MD calculations

  14. Diffusion, Ion Pairing and Aggregation in 1-Ethyl-3-Methylimidazolium-Based Ionic Liquids Studied by 1 H and 19 F PFG NMR: Effect of Temperature, Anion and Glucose Dissolution.

    Science.gov (United States)

    D'Agostino, Carmine; Mantle, Mick D; Mullan, Claire L; Hardacre, Christopher; Gladden, Lynn F

    2018-01-31

    In this work, using 1 H and 19 F PFG NMR, we probe the effect of temperature, ion size/type and glucose dissolution on the rate of transport in 1-ethyl-3-methylimidazolium ([EMIM] + )-based ionic liquids by measuring self-diffusion coefficients. Using such data, we are able to establish the degree of ion pairing and quantify the extent of ionic aggregation during diffusion. For the neat 1-ethyl-3-methylimidazolium acetate ([EMIM][OAc]) a strong degree of ion pairing is observed. The substitution of the [OAc] - anion with the bis{(trifluoromethyl)sulfonyl}imide ([TFSI] - ) anion reduces the pairing between the ions, which is attributed to a lower electric charge density on the [TFSI] - anion, hence a weaker electric interaction with the [EMIM] + cation. The effect of glucose, important for applications of ionic liquids as extracting media, on the strongly paired [EMIM][OAc] sample was also investigated and it is observed that the carbohydrate decreases the degree of ion pairing, which is attributed to the ability of glucose to disrupt inter-ionic interactions by forming hydrogen bonding, particularly with the [OAc] - anion. Calculations of aggregation number from diffusion data show that the [OAc] - anion diffuses as a part of larger aggregates compared to the [EMIM] + cation. The results and analysis presented here show the usefulness of PFG NMR in studies of ionic liquids, giving new insights into ion pairing and aggregation and the factors affecting these parameters. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. Cross-field diffusion quenching by neutral gas injection in a magnetized plasma

    International Nuclear Information System (INIS)

    Fasoli, A.; Skiff, F.; Good, T.N.; Paris, P.J.

    1991-12-01

    Cross-field transport of test ions is investigated in a linear Q-machine plasma. Test particles are created and followed in their motion by an optical tagging diagnostic scheme. Direct information on ion diffusivity is obtained from a comparison between the actual tag signal and a simple theoretical simulation. Diffusion is demonstrated to be supported by classical mechanisms. When different noble buffer gases are injected, the plasma reacts in such a way that the diffusivity remains classical but its magnitude is considerably reduced. (author) 9 figs., 15 refs

  16. Preparation of standard mixtures of gas hydrocarbons in air by the diffusion dilution method

    International Nuclear Information System (INIS)

    Garcia, M. R.; Perez, M. M.

    1979-01-01

    An original diffusion system able to produce continuously gaseous samples is described. This system can generate samples with concentrations of benzene in air from 0.1 to 1 ppm a reproducible way. The diffusion dilution method used Is also studied. The use of this diffusion system has been extended to the preparation of binary mixtures (benzene-toluene). Whit a secondary dilution device is possible preparing these mixtures over a wide range of concentrations (0.11 to 0.04 ppm for benzene and 0.06 to 0.02 for toluene). (Author) 7 refs

  17. Microscale characterisation of stochastically reconstructed carbon fiber-based Gas Diffusion Layers; effects of anisotropy and resin content

    Science.gov (United States)

    Yiotis, Andreas G.; Kainourgiakis, Michael E.; Charalambopoulou, Georgia C.; Stubos, Athanassios K.

    2016-07-01

    A novel process-based methodology is proposed for the stochastic reconstruction and accurate characterisation of Carbon fiber-based matrices, which are commonly used as Gas Diffusion Layers in Proton Exchange Membrane Fuel Cells. The modeling approach is efficiently complementing standard methods used for the description of the anisotropic deposition of carbon fibers, with a rigorous model simulating the spatial distribution of the graphitized resin that is typically used to enhance the structural properties and thermal/electrical conductivities of the composite Gas Diffusion Layer materials. The model uses as input typical pore and continuum scale properties (average porosity, fiber diameter, resin content and anisotropy) of such composites, which are obtained from X-ray computed microtomography measurements on commercially available carbon papers. This information is then used for the digital reconstruction of realistic composite fibrous matrices. By solving the corresponding conservation equations at the microscale in the obtained digital domains, their effective transport properties, such as Darcy permeabilities, effective diffusivities, thermal/electrical conductivities and void tortuosity, are determined focusing primarily on the effects of medium anisotropy and resin content. The calculated properties are matching very well with those of Toray carbon papers for reasonable values of the model parameters that control the anisotropy of the fibrous skeleton and the materials resin content.

  18. Modeling and designing a new gas injection diffusion system for metalorganic chemical vapor deposition

    Science.gov (United States)

    Liao, C. C.; Hsiau, S. S.; Chuang, T. C.

    2018-01-01

    Metalorganic chemical vapor deposition (MOCVD) is a critical process and is widely used for the epitaxial growth of light-emitting diode (LED) wafers. The key component, a gas injection system, delivers the gas into the reactor by using a nozzle or showerhead. In this paper, the numerical simulation method was applied to investigate the thermal fluid field and to design a new gas injection system for MOCVD. In this study, we developed a new gas injection system with inlet barriers. The inlet barriers can separate the various reactive gases, reduce the prereaction, and prevent adducted particles from forming and blocking the inlet gas system. The barrier geometry, including the barrier length, the barrier inclination angle, and the V/III precursor ratio was systematically studied to determine the optimal design conditions. Higher growth rate and improved uniformity were demonstrated using the new optimal gas inlet barrier design.

  19. Fabrication of gas diffusion layer based on x-y robotic spraying technique for proton exchange membrane fuel cell application

    International Nuclear Information System (INIS)

    Sitanggang, Ramli; Mohamad, Abu Bakar; Daud, Wan Ramli Wan; Kadhum, Abdul Amir H.; Iyuke, S.E.

    2009-01-01

    The x-y robotic spraying technique developed in the Universiti Kebangsaan Malaysia is capable of fabricating various sizes of thickness and porosity of gas diffusion layer (GDL) used in the proton exchange membrane fuel cell (PEMFC). These parameters are obtained by varying the characteristic spray numbers of the robotic spraying machine. This investigation results were adequately represented with mathematical equations for hydrogen gas distribution in GDL. Volumetric modulus (M) parameter is used to determine the value of current density produced on the electrode of a single cell PEMFC. Thus the M parameter can be employed as indicator for a successful GDL fabrication. GDL type 4 has three variables of layer design that can be optimized to function as gas distributor, gas storage, flooding preventer on GDL surface, to evacuate water from the electrode and to control the electrical conductivity. The gas distribution in GDL was mathematically represented with average error of 15.5%. The M value of GDL type 4 according to the model was 0.22 cm 3 /s and yielded a current density of 750 A/m 2 .

  20. Gas diffusion, non-darcy air permeability and CT-scans for a traffic-affected clay subsoil

    DEFF Research Database (Denmark)

    Lamandé, Mathieu; Schjønning, Per; Berisso, Feto Esimo

    2013-01-01

    , to what extent the compaction affected the air flow pattern in the macropores. The combination of diffusive and advective gas transport characteristics was expected to enhance the ability to deduce how the soil pore system was affected. This included advective air flow measurements at a range of pneumatic...... pressure drops. Compaction at 50 cm depth was persistent 29 years after the compaction event. Compaction diminished the size of vertical macropores that served as arterial pores, while the volume and role of marginal pores branching from the arterial pores were diminished. Compacted soil had...... of anisotropy of (clay-holding) subsoil pores, and that state-of-the art models are not able to describe soil diffusivity for such soils. We suggest air permeability measurements at a range of pressure drops in combination with a regression method for estimating Darcy air permeability. Care should be taken...

  1. La formation de l'oxyde azotique dans les flammes de diffusion de gaz naturel Nitrogen. Oxyde Formation in Natural-Gas Diffusion Flams

    Directory of Open Access Journals (Sweden)

    Portrait L. M.

    2006-11-01

    Full Text Available L'étude de la formation de l'oxyde azotique dans des flammes de diffusion de ga naturel est effectuée depuis deux ans sur le four expérimental du Groupe d'Etude des Flammes de Gaz Naturel situé à Toulouse. Un certain nombre de variables ont été explorées : type de flamme, excès d'air, préchauffage de l'air, teneur en oxygène du comburant, puissance calorifique, et débit de moment cinétique. L'étude a mis en évidence une corrélation générale, quelle que soit la variable considérée, entre la quantité maximale d'oxyde d'azote formé et la température maximale de la flamme. Certains des résultats précédents ont été exploités à l'Institut Français du Pétrole, en vue d'établir une équation de vitesse de formation de NO applicable aux flammes axiales de diffusion de gaz naturel. Les calculs s'appuient sur les connaissances obtenues lors de l'étude cinétique de formation de NO effectuée au Laboratoire d'Aérothermique Fondamentale. Les résultats du calcul théorique confirment ceux de l'étude sur le four expérimental en ce qui concerne l'influence prépondérante de la température sur la formation de l'oxyde azotique. Par ailleurs, le calcul théorique retrouve bien les résultats obtenus lors de l'étude fondamentale, selon lesquels la cinétique de formation de NO évolue le long de la flamme depuis le front de flamme jusqu'aux gaz brûlés. La généralisation à un grand nombre de flammes de l'équation cinétique expérimentale obtenue nécessite maintenant de prendre en compte certains phénomènes de diffusion négligés jusqu'à présent. Research on the formation of nitrogen oxide in natural-gas diffusion flammes has been going on for two years in the experimental furnace of the Groupe d'Etude des Flammes de Gaz Naturel located in Toulouse. Different variables have been investigoted such as type of flamme, air excess, air preheating, oxygen content in the oxidant, heating power and kinetic moment output

  2. Self-diffusion investigations on a series of PEP-PDMS diblock copolymers with different morphologies by pulsed field gradient NMR

    DEFF Research Database (Denmark)

    Rittig, F.; Karger, J.; Papadakis, C.M.

    1999-01-01

    of the structures (lamellar: two-dimensional, hexagonal: one-dimensional, spherical: zero-dimensional) characteristic diffusion mechanisms are observed: in the two- and one-dimensional cases anisotropic single-chain diffusion proceeds along the geometries, i.e. parallel and perpendicular to the interfaces...

  3. Water signal attenuation in diffusion-weighted 1H NMR experiments during cerebral ischemia: influence of intracellular restrictions, extracellular tortuosity, and exchange

    Czech Academy of Sciences Publication Activity Database

    Pfeuffer, J.; Dreher, W.; Syková, Eva; Leibfritz, D.

    1998-01-01

    Roč. 16, č. 9 (1998), s. 1023-1032 ISSN 0730-725X R&D Projects: GA ČR(CZ) GA309/96/0884 Institutional research plan: CEZ:AV0Z5039906 Keywords : restricted diffusion * water exchange * diffusion time dependence Subject RIV: FH - Neurology

  4. The diffusion cross section for atomic hydrogen in helium gas at low temperature and the H-He potential

    International Nuclear Information System (INIS)

    Jochemsen, R.; Berlinsky, A.J.; Hardy, W.N.

    1984-01-01

    A calculation of the diffusion cross section Q sub(D) of hydrogen atoms in helium gas at low temperature is performed and compared with recent experimental results. The comparison allows an improved determination of the H-He potential. Calculations were done for three different potentials: our own empirical potential based on experimental high-energy scattering results and calculated long-range dispersion terms, which gives good results for Q sub(D) and total collision cross sections; a recently determined semi-empirical potential, and an ab initio calculated potential. All three potentials imply a strong temperature dependence of Q sub(D) for T < 1.5 K

  5. Direct measurement of gas solubility and diffusivity in poly(vinylidene fluoride) with a high-pressure microbalance

    DEFF Research Database (Denmark)

    von Solms, Nicolas; Zecchin, Nicoletta; Rubin, Adam

    2005-01-01

    We present solubility and diffusion data for the gases methane and carbon dioxide in the polymer poly(vinylidene fluoride). The polymer was cut from extruded piping intended for use in offshore oil and gas applications. Measurements were carried out using a purpose-built high-pressure microbalance....... These properties were determined in the temperature range 80-120degreesC and in the pressure range 50-150bar for methane and 20-40bar for carbon dioxide. In general, good agreement was obtained for similar measurements reported in the literature. Solubility follows a Henry's law (linear) dependence with pressure...

  6. Gauging Metallicity of Diffuse Gas under an Uncertain Ionizing Radiation Field

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Hsiao-Wen; Zahedy, Fakhri S. [Department of Astronomy and Astrophysics, The University of Chicago, 5640 S Ellis Avenue, Chicago, IL 60637 (United States); Johnson, Sean D. [Department of Astrophysics, Princeton University, Princeton, NJ (United States); Rauch, Michael; Mulchaey, John S., E-mail: hchen@oddjob.uchicago.edu [The Observatories of the Carnegie Institution for Science, 813 Santa Barbara Street, Pasadena, CA 91101 (United States)

    2017-06-20

    Gas metallicity is a key quantity used to determine the physical conditions of gaseous clouds in a wide range of astronomical environments, including interstellar and intergalactic space. In particular, considerable effort in circumgalactic medium (CGM) studies focuses on metallicity measurements because gas metallicity serves as a critical discriminator for whether the observed heavy ions in the CGM originate in chemically enriched outflows or in more chemically pristine gas accreted from the intergalactic medium. However, because the gas is ionized, a necessary first step in determining CGM metallicity is to constrain the ionization state of the gas which, in addition to gas density, depends on the ultraviolet background radiation field (UVB). While it is generally acknowledged that both the intensity and spectral slope of the UVB are uncertain, the impact of an uncertain spectral slope has not been properly addressed in the literature. This Letter shows that adopting a different spectral slope can result in an order of magnitude difference in the inferred CGM metallicity. Specifically, a harder UVB spectrum leads to a higher estimated gas metallicity for a given set of observed ionic column densities. Therefore, such systematic uncertainties must be folded into the error budget for metallicity estimates of ionized gas. An initial study shows that empirical diagnostics are available for discriminating between hard and soft ionizing spectra. Applying these diagnostics helps reduce the systematic uncertainties in CGM metallicity estimates.

  7. Validation of Ammonia Diffusive and Active Samplers in a Controlled Atmosphere Test Facility Using Traceable Primary Standard Gas Mixtures

    Science.gov (United States)

    Martin, N. A.; Ferracci, V.; Cassidy, N.; Hook, J.; Battersby, R. M.; Tang, Y. S.; Stevens, A. C. M.; Jones, M. R.; Braban, C. F.; Gates, L.; Hangartner, M.; Sacco, P.; Pagani, D.; Hoffnagle, J.

    2016-12-01

    Intensive farming, the increased use of fertilizers, and certain industrial processes are believed to be responsible for increases in the amount fraction of ammonia (NH3) found in Europe. NH3 contributes to eutrophication and acidification of land and freshwater, leading to a loss of biodiversity, undesirable changes to the ecosystem, and to secondary particulate matter (PM) formation. Measurements of ambient ammonia over a wide geographical area, are principally carried out with low-cost diffusive samplers or by active sampling with denuders, with each technique delivering time-integrated values over the monitoring period. The goal of this work was to measure the NH3 diffusive sampling rates of five different designs of commercial diffusive samplers (FSM Radiello radial sampler, Gradko diffusion tube, Gradko DIFRAM-400, Passam ammonia sampler, and CEH ALPHA sampler), together with validation tests with a denuder sampler (CEH DELTA denuder). The would deliver validated improvements in the accuracy of ambient measurements of NH3 in the field through the establishment of metrological traceability using new stable ammonia Primary Standard Gas Mixtures (PSMs), developed by gravimetry at NPL. All devices were simultaneously exposed in a controlled atmosphere test facility (CATFAC) containing traceable amount fractions of ammonia applicable to a range of ambient monitoring conditions, with well-defined conditions of temperature, relative humidity and wind speed. Online continuous monitoring of the test atmospheres was carried out with a calibrated cavity ring-down spectrometer modified to account for cross interference by water. Exposed samplers were analysed by individual manufacturers for ammonium using traceable wet chemical techniques. The measured diffusive sampling rates were then applied to field measurements carried out at the Whim Bog experimental station in Scotland, where there is a facility in place for controlled releases of NH3 and also a background site.

  8. Novel single-layer gas diffusion layer based on PTFE/carbon black composite for proton exchange membrane fuel cell

    Energy Technology Data Exchange (ETDEWEB)

    Chen-Yang, Y.W.; Hung, T.F.; Yang, F.L. [Department of Chemistry and Center for Nanotechnology, Chung Yuan Christian University, Chung-Li 32023 (China); Huang, J. [Yeu Ming Tai Chemical Industrial Co., Ltd, Taichung 40768 (China)

    2007-11-08

    A series of poly(tetrafluoroethylene)/carbon black composite-based single-layer gas diffusion layers (PTFE/CB-GDLs) for proton exchange membrane fuel cell (PEMFC) was successfully prepared from carbon black and un-sintered PTFE, which included powder resin and colloidal dispersion, by a simple inexpensive method. The scanning electron micrographs of PTFE/CB-GDLs indicated that the PTFE resins were homogeneously dispersed in the carbon black matrix and showed a microporous layer (MPL)-like structure. The as-prepared PTFE/CB-GDLs exhibited good mechanical property, high gas permeability, and sufficient water repellency. The best current density obtained from the PEMFC with the single-layer PTFE/CB-GDL was 1.27 and 0.42 A cm{sup -2} for H{sub 2}/O{sub 2} and H{sub 2}/air system, respectively. (author)

  9. Advective and diffusive contributions to reactive gas transport during pyrite oxidation in the unsaturated zone

    NARCIS (Netherlands)

    Binning, P. J.; POSTMA, D; Russell, T. F.; Wesselingh, J. A.; Boulin, P. F.

    2007-01-01

    [1] Pyrite oxidation in unsaturated mine waste rock dumps and soils is limited by the supply of oxygen from the atmosphere. In models, oxygen transport through the subsurface is often assumed to be driven by diffusion. However, oxygen comprises 23.2% by mass of dry air, and when oxygen is consumed

  10. Advective and diffusive contributions to reactive gas transport during pyrite oxidation in the unsaturated zone

    DEFF Research Database (Denmark)

    Binning, Philip John; Postma, Diederik Jan; Russel, T.F.

    2007-01-01

    Pyrite oxidation in unsaturated mine waste rock dumps and soils is limited by the supply of oxygen from the atmosphere. In models, oxygen transport through the subsurface is often assumed to be driven by diffusion. However, oxygen comprises 23.2% by mass of dry air, and when oxygen is consumed...

  11. Diffuse control of gas turbines in power stations of combined cycle; Contral difuso de turbinas de gas en centrales de ciclo combinado

    Energy Technology Data Exchange (ETDEWEB)

    Sanchez P, Marino; Garduno R, Raul; De Lara J, Salvadror; Castelo C, Luis [Instituto de Investigaciones Electricas, Cuernavaca, Morelos (Mexico)

    2001-07-01

    In this article the application of the technology of the fuzzy logic to the control of gas turbines is presented in order to evaluate it in one of the most difficult processes and with stricter control requirements that exist in the electrical generation industry. For being important for the generation electrical sector, given their use in Comision Federal de Electricidad (CFE), the first selected prototype was the gas turbines model W501 of Westinghouse, installed in the of combined cycle power stations of Dos Bocas, Veracruz, Gomez Palacio, Durango and Tula, Hidalgo, Mexico. The second selected prototype was the one of the turbo gas units type 5001 (that applies to the GE 5001 models and Westinghouse of series 191 and 251). Based on the analysis of the performance of the system of conventional control previously made, the controllers of speed and generation of electrical power were selected to be replaced by diffuse controllers. [Spanish] En este articulo se presenta la aplicacion de la tecnologia de la logica difusa al control de turbinas de gas con el proposito de evaluarla en uno de los procesos mas dificiles y con requerimientos mas estrictos de control que existen en la industria de generacion electrica. Por ser importantes para el sector electrico de generacion, dada su utilizacion en Comision Federal de Electricidad (CFE), el primer prototipo seleccionado fueron las turbinas de gas modelo W501 de Westinghouse, instaladas en la central de ciclo combinado de Dos Bocas, Veracruz, Gomez Palacio, Durango y Tula, Hidalgo, Mexico. El segundo prototipo seleccionado fue el de unidades turbogas tipo 5001 (que aplica a los modelos GE 5001 y Westinghouse de la serie 191 y 251). Basados en el analisis del desempeno del sistema de control convencional realizado previamente, los controladores de velocidad y de generacion de potencia electrica fueron seleccionados para ser sustituidos por controladores difusos.

  12. Novel electrospun gas diffusion layers for polymer electrolyte membrane fuel cells: Part I. Fabrication, morphological characterization, and in situ performance

    Science.gov (United States)

    Chevalier, S.; Lavielle, N.; Hatton, B. D.; Bazylak, A.

    2017-06-01

    In this first of a series of two papers, we report an in-depth analysis of the impact of the gas diffusion layer (GDL) structure on the polymer electrolyte membrane (PEM) fuel cell performance through the use of custom GDLs fabricated in-house. Hydrophobic electrospun nanofibrous gas diffusion layers (eGDLs) are fabricated with controlled fibre diameter and alignment. The eGDLs are rendered hydrophobic through direct surface functionalization, and this molecular grafting is achieved in the absence of structural alteration. The fibre diameter, chemical composition, and electrical conductivity of the eGDL are characterized, and the impact of eGDL structure on fuel cell performance is analysed. We observe that the eGDL facilitates higher fuel cell power densities compared to a commercial GDL (Toray TGP-H-60) at highly humidified operating conditions. The ohmic resistance of the fuel cell is found to significantly increase with increasing inter-fiber distance. It is also observed that the addition of a hydrophobic treatment enhances membrane hydration, and fibres perpendicularly aligned to the channel direction may enhance the contact area between the catalyst layer and the GDL.

  13. Electrochemical Reduction of CO2 to Organic Acids by a Pd-MWNTs Gas-Diffusion Electrode in Aqueous Medium

    Science.gov (United States)

    Lu, Guang; Bian, Zhaoyong; Liu, Xin

    2013-01-01

    Pd-multiwalled carbon nanotubes (Pd-MWNTs) catalysts for the conversion of CO2 to organic acids were prepared by the ethylene glycol reduction and fully characterized by Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), transmission electron microscope (TEM), X-ray photoelectron spectroscopy (XPS), and cyclic voltammetry (CV) technologies. The amorphous Pd particles with an average size of 5.7 nm were highly dispersed on the surface of carbon nanotubes. Functional groups of the MWNTs played a key role in the palladium deposition. The results indicated that Pd-MWNTs could transform CO2 into organic acid with high catalytic activity and CO2 could take part in the reduction reaction directly. Additionally, the electrochemical reduction of CO2 was investigated by a diaphragm electrolysis device, using a Pd-MWNTs gas-diffusion electrode as a cathode and a Ti/RuO2 net as an anode. The main products in present system were formic acid and acetic acid identified by ion chromatograph. The selectivity of the products could be achieved by reaction conditions changing. The optimum faraday efficiencies of formic and acetic acids formed on the Pd-MWNTs gas-diffusion electrode at 4 V electrode voltages under 1 atm CO2 were 34.5% and 52.3%, respectively. PMID:24453849

  14. Evaluation of the performance of thermal diffusion column separating binary gas mixtures with continuous draw-off

    International Nuclear Information System (INIS)

    Kitamoto, Asashi; Shimizu, Masami; Takashima, Yoichi

    1977-01-01

    Advanced transport relations involving three column constants, H sup(σ), K sub(c)sup(σ) and K sub(d)sup(σ), are developed to describe the separation performance of a thermal diffusion column with continuous draw-off. These constants were related to some integral functions of velocity profile, temperature distribution, density of gas mixture and characteristic values of transport coefficients. The separation of binary gas mixture by this technique was so effective that three reasonable factors had to be introduced into the column constants in the theory. They are a circulation constant of natural convection, a definition of characteristic mean temperature and a definition of mean composition over the column. The separation performance and the column constants also varied with the distortion of velocity profile due to continuous draw-off from the top or the bottom of column. However, its effect was not large, compared with the other factors mentioned above. The theory presented here makes possible to estimate the separation performance of hot-wire type thermal diffusion column with high accuracy. (auth.)

  15. Microstructural analysis of mass transport phenomena in gas diffusion media for high current density operation in PEM fuel cells

    Science.gov (United States)

    Kotaka, Toshikazu; Tabuchi, Yuichiro; Mukherjee, Partha P.

    2015-04-01

    Cost reduction is a key issue for commercialization of fuel cell electric vehicles (FCEV). High current density operation is a solution pathway. In order to realize high current density operation, it is necessary to reduce mass transport resistance in the gas diffusion media commonly consisted of gas diffusion layer (GDL) and micro porous layer (MPL). However, fundamental understanding of the underlying mass transport phenomena in the porous components is not only critical but also not fully understood yet due to the inherent microstructural complexity. In this study, a comprehensive analysis of electron and oxygen transport in the GDL and MPL is conducted experimentally and numerically with three-dimensional (3D) microstructural data to reveal the structure-transport relationship. The results reveal that the mass transport in the GDL is strongly dependent on the local microstructural variations, such as local pore/solid volume fractions and connectivity. However, especially in the case of the electrical conductivity of MPL, the contact resistance between carbon particles is the dominant factor. This suggests that reducing the contact resistance between carbon particles and/or the number of contact points along the transport pathway can improve the electrical conductivity of MPL.

  16. Role of Cl on Diffusion of Cu in In2S3 Layers Prepared by Ion Layer Gas Reaction Method

    Directory of Open Access Journals (Sweden)

    Henry Wafula

    2015-02-01

    Full Text Available Ion layer gas reaction (ILGAR method allows for deposition of Cl-containing and Cl-free In2S3 layers from InCl3 and In(OCCH3CHOCCH33 precursor salts, respectively. A comparative study was performed to investigate the role of Cl on the diffusion of Cu from CuSCN source layer into ILGAR deposited In2S3 layers. The Cl concentration was varied between 7 and 14 at.% by varying deposition parameters. The activation energies and exponential pre-factors for Cu diffusion in Cl-containing samples were between 0.70 to 0.78 eV and between 6.0 × 10−6 and 3.2 × 10−5 cm2/s. The activation energy in Cl-free ILGAR In2S3 layers was about three times less compared to the Cl-containing In2S3, and the pre-exponential constant six orders of magnitude lower. These values were comparable to those obtained from thermally evaporated In2S3 layers. The residual Cl-occupies S sites in the In2S3 structure leading to non-stoichiometry and hence different diffusion mechanism for Cu compared to stoichiometric Cl-free layers.

  17. Submergence-induced morphological, anatomical, and biochemical responses in a terrestrial species affect gas diffusion resistance and photosynthetic performance.

    Science.gov (United States)

    Mommer, Liesje; Pons, Thijs L; Wolters-Arts, Mieke; Venema, Jan Henk; Visser, Eric J W

    2005-09-01

    Gas exchange between the plant and the environment is severely hampered when plants are submerged, leading to oxygen and energy deficits. A straightforward way to reduce these shortages of oxygen and carbohydrates would be continued photosynthesis under water, but this possibility has received only little attention. Here, we combine several techniques to investigate the consequences of anatomical and biochemical responses of the terrestrial species Rumex palustris to submergence for different aspects of photosynthesis under water. The orientation of the chloroplasts in submergence-acclimated leaves was toward the epidermis instead of the intercellular spaces, indicating that underwater CO(2) diffuses through the cuticle and epidermis. Interestingly, both the cuticle thickness and the epidermal cell wall thickness were significantly reduced upon submergence, suggesting a considerable decrease in diffusion resistance. This decrease in diffusion resistance greatly facilitated underwater photosynthesis, as indicated by higher underwater photosynthesis rates in submergence-acclimated leaves at all CO(2) concentrations investigated. The increased availability of internal CO(2) in these "aquatic" leaves reduced photorespiration, and furthermore reduced excitation pressure of the electron transport system and, thus, the risk of photodamage. Acclimation to submergence also altered photosynthesis biochemistry as reduced Rubisco contents were observed in aquatic leaves, indicating a lower carboxylation capacity. Electron transport capacity was also reduced in these leaves but not as strongly as the reduction in Rubisco, indicating a substantial increase of the ratio between electron transport and carboxylation capacity upon submergence. This novel finding suggests that this ratio may be less conservative than previously thought.

  18. Improved resolution and simplification of the spin-diffusion-based NMR method for the structural analysis of mixed-linker MOFs

    Science.gov (United States)

    Krajnc, Andraž; Bueken, Bart; De Vos, Dirk; Mali, Gregor

    2017-06-01

    Nuclear magnetic resonance spectroscopy combined with modeling represents a powerful tool for the structural analysis of heterogeneous materials. In this contribution we describe an upgraded method, particularly suited for the structural analysis of mixed-linker metal-organic framework materials, which is based on the measurement and modeling of proton spin diffusion among constituents. We tested the method on a UiO-66-type metal-organic material, in which the organic building units were 1,4-benzenedicarboxylate and trans-1,4-cyclohexanedicarboxylate anions distributed within the framework in an unknown manner. We showed that resolution of the signals of different building units could be significantly enhanced by the carbon-detected version of the proton spin-diffusion measurement. Because this kind of measurement is much more time consuming than the proton-detected measurement and because one has to carry out several two-dimensional measurements to extract spin-diffusion curves, we inspected the possibility of reducing the number of such measurements. This could be done by limiting the analysis to short mixing times, for which, as shown in this contribution, linear approximation is valid. When working in the linear regime, only a few experimental points are needed to determine the slope of spin-diffusion curves. Usage of short spin-diffusion mixing times significantly shortened the total measurement time and also markedly simplified the modeling of spin-diffusion curves.

  19. Peclet number analysis of cross-flow in porous gas diffusion layer of polymer electrolyte membrane fuel cell (PEMFC).

    Science.gov (United States)

    Suresh, P V; Jayanti, Sreenivas

    2016-10-01

    Adoption of hydrogen economy by means of using hydrogen fuel cells is one possible solution for energy crisis and climate change issues. Polymer electrolyte membrane (PEM) fuel cell, which is an important type of fuel cells, suffers from the problem of water management. Cross-flow is induced in some flow field designs to enhance the water removal. The presence of cross-flow in the serpentine and interdigitated flow fields makes them more effective in proper distribution of the reactants on the reaction layer and evacuation of water from the reaction layer than diffusion-based conventional parallel flow fields. However, too much of cross-flow leads to flow maldistribution in the channels, higher pressure drop, and membrane dehydration. In this study, an attempt has been made to quantify the amount of cross-flow required for effective distribution of reactants and removal of water in the gas diffusion layer. Unit cells containing two adjacent channels with gas diffusion layer (GDL) and catalyst layer at the bottom have been considered for the parallel, interdigitated, and serpentine flow patterns. Computational fluid dynamics-based simulations are carried out to study the reactant transport in under-the-rib area with cross-flow in the GDL. A new criterion based on the Peclet number is presented as a quantitative measure of cross-flow in the GDL. The study shows that a cross-flow Peclet number of the order of 2 is required for effective removal of water from the GDL. Estimates show that this much of cross-flow is not usually produced in the U-bends of Serpentine flow fields, making these areas prone to flooding.

  20. Bidimensional versus tridimensional oxygen vacancy diffusion in SnO(2-x) under different gas environments.

    Science.gov (United States)

    López, N; Prades, J Daniel; Hernández-Ramírez, F; Morante, J R; Pan, J; Mathur, S

    2010-03-14

    Metal oxides present oxygen defects that induce different chemical and physical properties. Experiments performed in SnO(2-x) sensors show that the dynamics of these vacancies are strongly affected by the presence of different gases in the environment. Experimentally, the electrical resistance of individual metal oxide SnO(2-x) nanowires shows modulation: when the environment is oxygen rich long term drifts (hours) are observed indicating extended vacancy dynamics. Instead, if CO is present, drifts disappear in minutes. Density functional theory indicates that changes in resistance follow the extension of reoxidation. For oxygen-poor environments, oxygen vacancy excorporation and healing are confined to the near-surface layer of SnO(2-x) (bidimensional or near-surface diffusion), and completed in short times. Under oxygen-rich conditions, tridimensional diffusion of oxygen vacancies towards the surface takes place at room temperature. In this case, a push-pull mechanism allows bulk-to-surface diffusion and as a consequence resistance drifts are longer and the vacancy quenching is more extensive.

  1. The effects of gas diffusion layers structure on water transportation using X-ray computed tomography based Lattice Boltzmann method

    Science.gov (United States)

    Jinuntuya, Fontip; Whiteley, Michael; Chen, Rui; Fly, Ashley

    2018-02-01

    The Gas Diffusion Layer (GDL) of a Polymer Electrolyte Membrane Fuel Cell (PEMFC) plays a crucial role in overall cell performance. It is responsible for the dissemination of reactant gasses from the gas supply channels to the reactant sites at the Catalyst Layer (CL), and the adequate removal of product water from reactant sites back to the gas channels. Existing research into water transport in GDLs has been simplified to 2D estimations of GDL structures or use virtual stochastic models. This work uses X-ray computed tomography (XCT) to reconstruct three types of GDL in a model. These models are then analysed via Lattice Boltzmann methods to understand the water transport behaviours under differing contact angles and pressure differences. In this study, the three GDL samples were tested over the contact angles of 60°, 80°, 90°, 100°, 120° and 140° under applied pressure differences of 5 kPa, 10 kPa and 15 kPa. By varying the contact angle and pressure difference, it was found that the transition between stable displacement and capillary fingering is not a gradual process. Hydrophilic contact angles in the region of 60°<θ < 90° showed stable displacement properties, whereas contact angles in the region of 100°<θ < 140° displayed capillary fingering characteristics.

  2. Experimental study on propane/oxygen and natural gas/oxygen laminar diffusion flames in diluting and preheating conditions

    Directory of Open Access Journals (Sweden)

    Kashir Babak

    2012-01-01

    Full Text Available In the present study, propane/oxygen and natural gas/oxygen diffusion flames within laminar regime have been investigated experimentally to determine the effects of oxidant preheating and diluting. This research has been divided into two parts. At first, effect of oxygen dilution with nitrogen and carbon dioxide gases has been investigated. In this section, stability and flame configuration variations are studied. Furthermore, it is inferred that combustion of natural gas and propane with pure oxygen can increase flame stability against increasing the fuel jet velocities through increasing burning velocity of the flame as compared with the combustion of natural gas or propane with normal air. In the other part, oxidant stream preheating up to 480 K and contemporaneous diluting with nitrogen or carbon dioxide are investigated and results are compared with non-preheating tests. Preheating causes more flame stability with respect to dilution process. Also, Due to combustion products temperature rise and also reduction in ignition delay time in preheating, these flames are more stable and also visually more luminous in comparison with normal temperature flames.

  3. Molecular simulation of gas adsorption and diffusion in a breathing MOF using a rigid force field

    NARCIS (Netherlands)

    García-Pérez, E.; Serra-Crespo, P.; Hamad, S.; Kapteijn, F.; Gascon, J.

    2014-01-01

    Simulation of gas adsorption in flexible porous materials is still limited by the slow progress in the development of flexible force fields. Moreover, the high computational cost of such flexible force fields may be a drawback even when they are fully developed. In this work, molecular simulations

  4. Diffusion Monte Carlo simulations of gas phase and adsorbed D2-(H2)n clusters

    Science.gov (United States)

    Curotto, E.; Mella, M.

    2018-03-01

    We have computed ground state energies and analyzed radial distributions for several gas phase and adsorbed D2(H2)n and HD(H2)n clusters. An external model potential designed to mimic ionic adsorption sites inside porous materials is used [M. Mella and E. Curotto, J. Phys. Chem. A 121, 5005 (2017)]. The isotopic substitution lowers the ground state energies by the expected amount based on the mass differences when these are compared with the energies of the pure clusters in the gas phase. A similar impact is found for adsorbed aggregates. The dissociation energy of D2 from the adsorbed clusters is always much higher than that of H2 from both pure and doped aggregates. Radial distributions of D2 and H2 are compared for both the gas phase and adsorbed species. For the gas phase clusters, two types of hydrogen-hydrogen interactions are considered: one based on the assumption that rotations and translations are adiabatically decoupled and the other based on nonisotropic four-dimensional potential. In the gas phase clusters of sufficiently large size, we find the heavier isotopomer more likely to be near the center of mass. However, there is a considerable overlap among the radial distributions of the two species. For the adsorbed clusters, we invariably find the heavy isotope located closer to the attractive interaction source than H2, and at the periphery of the aggregate, H2 molecules being substantially excluded from the interaction with the source. This finding rationalizes the dissociation energy results. For D2-(H2)n clusters with n ≥12 , such preference leads to the desorption of D2 from the aggregate, a phenomenon driven by the minimization of the total energy that can be obtained by reducing the confinement of (H2)12. The same happens for (H2)13, indicating that such an effect may be quite general and impact on the absorption of quantum species inside porous materials.

  5. From gas dynamics with large friction to gradient flows describing diffusion theories

    KAUST Repository

    Lattanzio, Corrado

    2016-12-09

    We study the emergence of gradient flows in Wasserstein distance as high friction limits of an abstract Euler flow generated by an energy functional. We develop a relative energy calculation that connects the Euler flow to the gradient flow in the diffusive limit regime. We apply this approach to prove convergence from the Euler-Poisson system with friction to the Keller-Segel system in the regime that the latter has smooth solutions. The same methodology is used to establish convergence from the Euler-Korteweg theory with monotone pressure laws to the Cahn-Hilliard equation.

  6. Monitoring the functionalization of single-walled carbon nanotubes with chitosan and folic acid by two-dimensional diffusion-ordered nmr spectroscopy

    DEFF Research Database (Denmark)

    Castillo, John J.; Torres, Mary H.; Molina, Daniel R.

    2012-01-01

    A conjugate between single-walled carbon nanotubes, chitosan and folic acid has been prepared. It was characterized by diffusion ordered two-dimensional hydrogen-1 nuclear magnetic resonance and hydrogen-1 nuclear magnetic resonance spectroscopy which revealed the presence of a conjugate that was......A conjugate between single-walled carbon nanotubes, chitosan and folic acid has been prepared. It was characterized by diffusion ordered two-dimensional hydrogen-1 nuclear magnetic resonance and hydrogen-1 nuclear magnetic resonance spectroscopy which revealed the presence of a conjugate...... that was generated by the linkage between the carboxyl moiety of the folic acid and the amino group of the chitosan, which in turn was non-covalently bound to the single-walled carbon nanotubes. The obtained diffusion coefficient values demonstrated that free folic acid diffused more rapidly than the folic acid...... conjugated to single-walled carbon nanotubes-chitosan. The values of the proton signal of hydrogen-1 nuclear magnetic resonance spectroscopy and two-dimensional hydrogen-1 nuclear magnetic resonance spectroscopy further confirmed that the folic acid was conjugated to the chitosan, wrapping the single...

  7. Validation of ammonia diffusive and active samplers in a controlled atmosphere test facility using traceable Primary Standard Gas Mixtures

    Science.gov (United States)

    Martin, Nicholas A.; Ferracci, Valerio; Cassidy, Nathan; Hook, Josh; Battersby, Ross M.; Tang, Yuk S.; Stevens, Amy C. M.; Jones, Matthew R.; Braban, Christine F.; Gates, Linda; Hangartner, Markus; Stoll, Jean-Marc; Sacco, Paolo; Pagani, Diego; Hoffnagle, John A.

    2017-04-01

    Intensive animal farming, the increased use of fertilizers, and certain industrial processes are believed to be responsible for the observed increases in the amount fraction of ammonia (NH3) found in Europe. NH3 contributes to eutrophication and acidification of land and freshwater, potentially leading to a loss of biodiversity and undesirable changes to the ecosystem. It also contributes to the formation of secondary particulate matter (PM) formation, which is associated with poor air quality and adverse health outcomes. Measurements of ambient ammonia are principally carried out with low-cost diffusive samplers or by active sampling with denuders, with each method delivering time-integrated values over the monitoring period. However, such techniques have not yet been extensively validated. The goal of this work was to provide improvements in the metrological traceability through the determination of NH3 diffusive sampling rates. Five different designs of commercial diffusive samplers (FSM Radiello radial sampler, Gradko diffusion tube, Gradko DIFRAM-400, Passam ammonia sampler, and CEH ALPHA sampler) were employed, together with a pumped denuder sampler (CEH DELTA denuder) for comparison. All devices were simultaneously exposed for either 28 days or 14 days (dependent on sampler type) in a controlled atmosphere test facility (CATFAC) containing traceable amount fractions of humidified ammonia using new stable ammonia Primary Standard Gas Mixtures developed by gravimetry at NPL, under a wide range of conditions that are relevant to ambient monitoring. Online continuous monitoring of the ammonia test atmospheres was carried out by extractive sampling, employing a calibrated cavity ring-down spectrometer, which had been modified to account for cross interference by water vapour. Each manufacturer extracted the captured ammonia on the exposed samplers in the form of ammonium (NH4+) using their own accredited traceable wet chemical techniques, and then reported data

  8. Effect of Reynolds number and saturation level on gas diffusion in and out of a superhydrophobic surface

    Science.gov (United States)

    Ling, Hangjian; Katz, Joseph; Fu, Matthew; Hultmark, Marcus

    2017-12-01

    This experimental study investigates the effects of ambient pressure and Reynolds number on the volume of a plastron in a superhydrophobic surface (SHS) due to compression and gas diffusion. The hierarchical SHS consists of nanotextured, ˜100 μm wide spanwise grooves. Microscopic observations measure the time evolution of interface height and contact angle. The water tunnel tests are performed both without flow as well as in transitional and turbulent boundary layers at several Reynolds numbers. Particle image velocimetry is used for estimating the wall shear stress and calculating the momentum thickness for the SHSs under Cassie-Baxter (CB) and Wenzel states as well as a smooth wall at the same conditions. Holographic microscopy is used for determining the wall shear stress directly for one of the CB cases. The mass diffusion rate is calculated from changes to the plastron volume when the liquid is under- or supersaturated. For stationary water, the mass diffusion is slow. With increasing pressure, the interface is initially pinned and then migrates into the groove with high advancing contact angle. Upon subsequent decrease in pressure, the interface migrates upward at a shallow angle and, after being pinned to the tip corner, becomes convex. With flow and exposure to undersaturated liquid, the diffusion-induced wetting also involves pinned and downward migration states, followed by shrinkage of the plastron until it decreases below the resolution limit. The corresponding changes to the velocity profile indicate a transition from slight drag reduction to significant drag increase. In supersaturated water starting at a Wenzel state, a bubble grows from one of the bottom corners until it reaches the other side of the groove. Subsequently, dewetting involves upward migration of the interface, pinning to the tip corners, and formation of a convex interface. The diffusion rate increases with the level of under- or supersaturation and with the Reynolds number. A power

  9. Gas Phase Transport, Adsorption and Surface Diffusion in Porous Glass Membrane

    Czech Academy of Sciences Publication Activity Database

    Yang, J.; Čermáková, Jiřina; Uchytil, Petr; Hamel, Ch.; Seidel-Morgenstern, A.

    2005-01-01

    Roč. 104, 2-4 (2005), s. 344-351 ISSN 0920-5861. [International Conference on Catalysis in Membrane Reactors /6./. Lahnstein, 06.07.2004-09.07.2004] R&D Projects: GA AV ČR(CZ) IAA4072402 Institutional research plan: CEZ:AV0Z40720504 Keywords : gas phase transport * vycor glass * adsorption Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.365, year: 2005

  10. Automatic semi-continuous accumulation chamber for diffuse gas emissions monitoring in volcanic and non-volcanic areas

    Science.gov (United States)

    Lelli, Matteo; Raco, Brunella; Norelli, Francesco; Virgili, Giorgio; Continanza, Davide

    2016-04-01

    Since various decades the accumulation chamber method is intensively used in monitoring activities of diffuse gas emissions in volcanic areas. Although some improvements have been performed in terms of sensitivity and reproducibility of the detectors, the equipment used for measurement of gas emissions temporal variation usually requires expensive and bulky equipment. The unit described in this work is a low cost, easy to install-and-manage instrument that will make possible the creation of low-cost monitoring networks. The Non-Dispersive Infrared detector used has a concentration range of 0-5% CO2, but the substitution with other detector (range 0-5000 ppm) is possible and very easy. Power supply unit has a 12V, 7Ah battery, which is recharged by a 35W solar panel (equipped with charge regulator). The control unit contains a custom programmed CPU and the remote transmission is assured by a GPRS modem. The chamber is activated by DataLogger unit, using a linear actuator between the closed position (sampling) and closed position (idle). A probe for the measure of soil temperature, soil electrical conductivity, soil volumetric water content, air pressure and air temperature is assembled on the device, which is already arranged for the connection of others external sensors, including an automatic weather station. The automatic station has been tested on the field at Lipari island (Sicily, Italy) during a period of three months, performing CO2 flux measurement (and also weather parameters), each 1 hour. The possibility to measure in semi-continuous mode, and at the same time, the gas fluxes from soil and many external parameters, helps the time series analysis aimed to the identification of gas flux anomalies due to variations in deep system (e.g. onset of volcanic crises) from those triggered by external conditions.

  11. Numerical simulation study of fracturing wells for shale gas with gas–water two-phase flow system under desorption and diffusion conditions

    Directory of Open Access Journals (Sweden)

    Jinzhou Zhao

    2016-06-01

    Full Text Available Hydraulic fracturing is an essential technology in developing shale gas reservoirs, not to mention, accurate prediction of productivity in fractured shale gas wells is the foundation of an efficient development in shale gas reservoirs. This paper establishes a gas–water two-phase flow percolation mathematical model by a determined numerical simulation and calculation method under desorption and diffusion conditions. By means of simulating for a post-frac performance of the shale gas reservoir, this paper devotes to a quantitative analysis the impact of fracture parameters, physical parameters, and desorption–diffusion parameters. The outcome of this research indicates that hydraulic fracturing can improve single well production and it's an effective measure in the development of shale gas. The conductivity of hydraulic fractures and the permeability of natural fractures are the main influences on shale gas production. The higher these factors are, the higher the gas and water productions are. In comparison, the matrix permeability and diffusion coefficients have minimal influences on production.

  12. Natural gas perspectives of diffusion on the brazilian structural ceramics industry; Perspectivas de difusao do gas natural na industria brasileira de ceramica vermelha

    Energy Technology Data Exchange (ETDEWEB)

    Schwob, Marcelo Rousseau Valenca

    2007-03-15

    This study evaluates the perspectives of the natural gas (NG) used by the Brazilian structural ceramics industry (BSCI), according to technological, economic and environmental aspects. It identifies the advantages of using NG, as well as the barriers faced by this energy source. Considering the amount of NG required by the thermal demand of the BSCI processes and the average energy specific use of the furnaces in operation in Brazil, the total consumption of NG will be nearly 12.06 Mm{sup 3/}day. However, the existence of few technical and economical adequate conversion conditions for ceramics furnaces (4% of continuous furnaces) limits the previous potential to only 0.67 Mm{sup 3/}day. In addition, considering the geographic intersection of the ceramics production clusters with the natural gas distribution grid of the Brazilian states, the estimated potential is lowered to 0.28 Mm{sup 3/}day. Yet, the perspective of the NG diffusion in the BSCI in the medium to the long term is more positive, owning to the increasing implementation of large scale production furnaces and cogeneration systems. Also worthwhile to this positive perspective are: the improving demand for certified structural ceramic products, with more quality and value added, and the expanding investment in low income classes dwelling programs. (author)

  13. SIMULATION OF POROSITY AND PTFE CONTENT IN GAS DIFFUSION LAYER ON PROTON EXCHANGE MEMBRANE FUEL CELL PERFORMANCE

    Directory of Open Access Journals (Sweden)

    NUR H. MASLAN

    2016-01-01

    Full Text Available Numerous research and development activities have been conducted to optimize the operating parameters of a proton exchange membrane fuel cell (PEMFC by experiments and simulations. This study explains the development of a 3D model by using ANSYS FLUENT 14.5 to determine the optimum PEMFC parameters, namely, porosity and polytetrafluoroethylene (PTFE content, in the gas diffusion layer (GDL. A 3D model was developed to analyze the properties and effects of GDL. Simulation results showed that the increase in GDL porosity significantly improved the performance of PEMFC in generating electrical power. However, the performance of PEMFC decreased with increasing PTFE content in GDL. Thus, the PTFE content in the GDL must be optimized and the optimum PTFE content should be 5 wt%. The model developed in this simulation showed good capability in simulating the PEMFC parameters to assist the development process of PEMFC design.

  14. A Numerical Study on Effect of Gas-Phase Radiative Heat Loss on Extinction of Hydrogen Diffusion Flames

    International Nuclear Information System (INIS)

    Sohn, Chae Hoon

    2007-01-01

    Extinction characteristics of hydrogen-air diffusion flames are investigated numerically by adopting counterflow flame configuration. At various pressures, effect of radiative heat loss on flame extinction is examined. Only gas-phase radiation is considered here. Radiative heat loss depends on flame thickness, temperature, H 2 O concentration, and pressure. From flame structures at various pressures, flame thickness decreases with pressure, but its gradient decreases at high pressure. Flame temperature and mole fraction of H 2 O increase slightly with pressure. Accordingly, as pressure increases, radiative heat loss becomes dominant. When radiative heat loss is considered, radiation-induced extinction is observed at low strain rate in addition to transport-induced extinction. As pressure increases, flammable region shifts to the high-temperature region and then, shrunk to the point on the coordinate plane of flame temperature and strain rate

  15. Gas diffusion, non-Darcy air permeability, and computed tomography images of a clay subsoil affected by compaction

    DEFF Research Database (Denmark)

    Schjønning, Per; Lamandé, Mathieu; Berisso, Feto Esimo

    2013-01-01

    . Untrafficked control plots were used as a reference. Computed tomography (CT) scanning was performed on soil cores at a field-sampled field capacity water content. Gas diffusion and air permeability were measured when the soil cores were drained to −1000 hPa matric potential (air permeability also at −100...... in the cross-sectional area of vertical, arterial macropores and in the volume of marginal pores branching from these vertical pores. We observed non-Darcian air flow during air permeability measurements and thus suggest the use of a nonlinear regression technique based on measurements at several pressure...... differences to arrive at true Darcian air permeability. The tests on artificial materials supported the conclusions that the dominating pores in this clayey subsoil are nearly straight, vertical macropores....

  16. Quaternary ammonium room-temperature ionic liquid including an oxygen atom in side chain/lithium salt binary electrolytes: ionic conductivity and 1H, 7Li, and 19F NMR studies on diffusion coefficients and local motions.

    Science.gov (United States)

    Hayamizu, Kikuko; Tsuzuki, Seiji; Seki, Shiro; Ohno, Yasutaka; Miyashiro, Hajime; Kobayashi, Yo

    2008-01-31

    A room-temperature ionic liquid (RTIL) of a quaternary ammonium cation having an ether chain, N,N-diethyl-N-methyl-N-(2-methoxyethyl)ammonium bis(trifluoromethylsulfonyl)amide (DEME-TFSA), is a candidate for use as an electrolyte of lithium secondary batteries. In this study, the electrochemical ionic conductivity, sigma, of the neat DEME-TFSA and DEME-TFSA-Li doped with five different concentrations of lithium salt (LiTFSA) was measured and correlated with NMR measurements of the diffusion coefficients D and the spin-lattice relaxation times T1 of the individual components DEME (1H), TFSA (19F), and lithium ion (7Li). The ion conduction of charged ions can be activated with less thermal energy than ion diffusion which contains a contribution from paired ions in DEME-TFSA. In the doped DEME-TFSA-Li samples, the sigma and D values decreased with increasing salt concentration, and within the same sample generally DLisalt concentration at low temperatures. Since plots of the temperature dependence of T1 of the 1H and 7Li resonances showed T1 minima, the correlation times tauc(H) and tauc(Li) were calculated for reorientational motions of DEME and the lithium jump, respectively. At the same temperature, tauc(Li) is longer than tauc(H), suggesting that the molecular motion of DEME occurs more rapidly than the lithium jump. Combining the DLi and tauc(Li), averaged distances for the lithium jump were estimated.

  17. SDSS-IV MaNGA: the impact of diffuse ionized gas on emission-line ratios, interpretation of diagnostic diagrams and gas metallicity measurements

    Science.gov (United States)

    Zhang, Kai; Yan, Renbin; Bundy, Kevin; Bershady, Matthew; Haffner, L. Matthew; Walterbos, René; Maiolino, Roberto; Tremonti, Christy; Thomas, Daniel; Drory, Niv; Jones, Amy; Belfiore, Francesco; Sánchez, Sebastian F.; Diamond-Stanic, Aleksandar M.; Bizyaev, Dmitry; Nitschelm, Christian; Andrews, Brett; Brinkmann, Jon; Brownstein, Joel R.; Cheung, Edmond; Li, Cheng; Law, David R.; Roman Lopes, Alexandre; Oravetz, Daniel; Pan, Kaike; Storchi Bergmann, Thaisa; Simmons, Audrey

    2017-04-01

    Diffuse ionized gas (DIG) is prevalent in star-forming galaxies. Using a sample of 365 nearly face-on star-forming galaxies observed by Mapping Nearby Galaxies at APO, we demonstrate how DIG in star-forming galaxies impacts the measurements of emission-line ratios, hence the interpretation of diagnostic diagrams and gas-phase metallicity measurements. At fixed metallicity, DIG-dominated low ΣHα regions display enhanced [S II]/Hα, [N II]/Hα, [O II]/Hβ and [O I]/Hα. The gradients in these line ratios are determined by metallicity gradients and ΣHα. In line ratio diagnostic diagrams, contamination by DIG moves H II regions towards composite or low-ionization nuclear emission-line region (LI(N)ER)-like regions. A harder ionizing spectrum is needed to explain DIG line ratios. Leaky H II region models can only shift line ratios slightly relative to H II region models, and thus fail to explain the composite/LI(N)ER line ratios displayed by DIG. Our result favours ionization by evolved stars as a major ionization source for DIG with LI(N)ER-like emission. DIG can significantly bias the measurement of gas metallicity and metallicity gradients derived using strong-line methods. Metallicities derived using N2O2 are optimal because they exhibit the smallest bias and error. Using O3N2, R23, N2 = [N II]/Hα and N2S2Hα to derive metallicities introduces bias in the derived metallicity gradients as large as the gradient itself. The strong-line method of Blanc et al. (IZI hereafter) cannot be applied to DIG to get an accurate metallicity because it currently contains only H II region models that fail to describe the DIG.

  18. Validity of two-phase polymer electrolyte membrane fuel cell models with respect to the gas diffusion layer

    Science.gov (United States)

    Ziegler, C.; Gerteisen, D.

    A dynamic two-phase model of a proton exchange membrane fuel cell with respect to the gas diffusion layer (GDL) is presented and compared with chronoamperometric experiments. Very good agreement between experiment and simulation is achieved for potential step voltammetry (PSV) and sine wave testing (SWT). Homogenized two-phase models can be categorized in unsaturated flow theory (UFT) and multiphase mixture (M 2) models. Both model approaches use the continuum hypothesis as fundamental assumption. Cyclic voltammetry experiments show that there is a deterministic and a stochastic liquid transport mode depending on the fraction of hydrophilic pores of the GDL. ESEM imaging is used to investigate the morphology of the liquid water accumulation in the pores of two different media (unteflonated Toray-TGP-H-090 and hydrophobic Freudenberg H2315 I3). The morphology of the liquid water accumulation are related with the cell behavior. The results show that UFT and M 2 two-phase models are a valid approach for diffusion media with large fraction of hydrophilic pores such as unteflonated Toray-TGP-H paper. However, the use of the homgenized UFT and M 2 models appears to be invalid for GDLs with large fraction of hydrophobic pores that corresponds to a high average contact angle of the GDL.

  19. Modeling the effect of anisotropy of gas diffusion layer on transport phenomena in a direct methanol fuel cell

    Science.gov (United States)

    Miao, Zheng; He, Ya-Ling; Zou, Jin-Qiang

    Transport phenomena in the gas diffusion layer (GDL) are of vital importance for the operation of direct methanol fuel cells (DMFCs). In this work, a two-phase mass transport model is developed to investigate the effects of anisotropic characteristics of a GDL, including the inherent anisotropy, deformation, and electrical and thermal contact resistances, on the coupled species, charges and thermal transport processes in a DMFC. In this model, methanol crossover and non-equilibrium evaporation/condensation of water and methanol are considered. The multistep electrochemical mechanisms are used to obtain a detailed description of the kinetics of methanol oxidization reaction (MOR) in both the anode and cathode catalyst layers (CLs). The numerical results show that the anisotropy of the GDL has a great effect on the distribution of species concentration, overpotential, local current density, and temperature. The deformation of the GDL depresses the transport of species through the GDL, particularly methanol diffusion in anode GDL, but facilitates the transport of electron and the removal of heat. The electrical contact resistance plays an important role in determining the cell performance.

  20. Modeling the effect of anisotropy of gas diffusion layer on transport phenomena in a direct methanol fuel cell

    Energy Technology Data Exchange (ETDEWEB)

    Miao, Zheng; He, Ya-Ling; Zou, Jin-Qiang [State Key Laboratory of Multiphase Flow in Power Engineering, School of Energy and Power Engineering, Xi' an Jiaotong University, Xi' an, Shaanxi 710049 (China)

    2010-06-01

    Transport phenomena in the gas diffusion layer (GDL) are of vital importance for the operation of direct methanol fuel cells (DMFCs). In this work, a two-phase mass transport model is developed to investigate the effects of anisotropic characteristics of a GDL, including the inherent anisotropy, deformation, and electrical and thermal contact resistances, on the coupled species, charges and thermal transport processes in a DMFC. In this model, methanol crossover and non-equilibrium evaporation/condensation of water and methanol are considered. The multistep electrochemical mechanisms are used to obtain a detailed description of the kinetics of methanol oxidization reaction (MOR) in both the anode and cathode catalyst layers (CLs). The numerical results show that the anisotropy of the GDL has a great effect on the distribution of species concentration, overpotential, local current density, and temperature. The deformation of the GDL depresses the transport of species through the GDL, particularly methanol diffusion in anode GDL, but facilitates the transport of electron and the removal of heat. The electrical contact resistance plays an important role in determining the cell performance. (author)

  1. Silver nanoparticle-decorated carbon nanotubes as bifunctional gas-diffusion electrodes for zinc-air batteries

    Science.gov (United States)

    Wang, T.; Kaempgen, M.; Nopphawan, P.; Wee, G.; Mhaisalkar, S.; Srinivasan, M.

    Thin, lightweight, and flexible gas-diffusion electrodes (GDEs) based on freestanding entangled networks of single-walled carbon nanotubes (SWNTs) decorated with Ag nanoparticles (AgNPs) are tested as the air-breathing cathode in a zinc-air battery. The SWNT networks provide a highly porous surface for active oxygen absorption and diffusion. The high conductivity of SWNTs coupled with the catalytic activity of AgNPs for oxygen reduction leads to an improvement in the performance of the zinc-air cell. By modulating the pH value and the reaction time, different sizes of AgNPs are decorated uniformly on the SWNTs, as revealed by transmission electron microscopy and powder X-ray diffraction. AgNPs with sizes of 3-5 nm double the capacity and specific energy of a zinc-air battery as compared with bare SWNTs. The simplified, lightweight architecture shows significant advantages over conventional carbon-based GDEs in terms of weight, thickness and conductivity, and hence may be useful for mobile and portable applications.

  2. Investigation of liquid water in gas diffusion layers of polymer electrolyte fuel cells using X-ray tomographic microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Flueckiger, Reto [Electrochemistry Laboratory, Paul Scherrer Institut, CH-5232 Villigen PSI (Switzerland); Marone, Federica [Swiss Light Source, Paul Scherrer Institut, CH-5232 Villigen PSI (Switzerland); Stampanoni, Marco [Swiss Light Source, Paul Scherrer Institut, CH-5232 Villigen PSI (Switzerland); Institute for Biomedical Engineering, University and ETH Zurich, Gloriastrasse 35, CH-8092 Zurich (Switzerland); Wokaun, Alexander [Electrochemistry Laboratory, Paul Scherrer Institut, CH-5232 Villigen PSI (Switzerland); Buechi, Felix N., E-mail: felix.buechi@psi.c [Electrochemistry Laboratory, Paul Scherrer Institut, CH-5232 Villigen PSI (Switzerland)

    2011-02-01

    In polymer electrolyte fuel cells (PEFCs), condensation of water within the pore network of the gas diffusion layers (GDL) can influence the gas transport properties and thus reduce the electrochemical conversion rates. The use of X-ray tomographic microscopy (XTM), which allows for a resolution in the order of one micrometer is investigated for studying ex situ the local saturation in GDL's. The strength of XTM is the high spatial resolution with simultaneous contrast for water and carbon, allowing for non-destructive 3D-imaging of the solid and the contained water. The application of this method for imaging the ex situ water intrusion into the porous network of GDLs is explored using absorption and phase contrast methods. It is shown that the inhomogeneous filling behavior of GDL materials can indeed be visualized with sufficient resolution. For Toray paper TGP-H-060 the local saturation was measured as function of the water pressure. The results, evaluated in 1D, 2D and 3D show a liquid water retention effect at the denser layers near the surface. A comparison with established capillary pressure functions is presented. Altogether, the results show the potential of the XTM-method as a tool for studying the liquid water behavior in PEFC on a microscopic scale.

  3. Investigation of liquid water in gas diffusion layers of polymer electrolyte fuel cells using X-ray tomographic microscopy

    International Nuclear Information System (INIS)

    Flueckiger, Reto; Marone, Federica; Stampanoni, Marco; Wokaun, Alexander; Buechi, Felix N.

    2011-01-01

    In polymer electrolyte fuel cells (PEFCs), condensation of water within the pore network of the gas diffusion layers (GDL) can influence the gas transport properties and thus reduce the electrochemical conversion rates. The use of X-ray tomographic microscopy (XTM), which allows for a resolution in the order of one micrometer is investigated for studying ex situ the local saturation in GDL's. The strength of XTM is the high spatial resolution with simultaneous contrast for water and carbon, allowing for non-destructive 3D-imaging of the solid and the contained water. The application of this method for imaging the ex situ water intrusion into the porous network of GDLs is explored using absorption and phase contrast methods. It is shown that the inhomogeneous filling behavior of GDL materials can indeed be visualized with sufficient resolution. For Toray paper TGP-H-060 the local saturation was measured as function of the water pressure. The results, evaluated in 1D, 2D and 3D show a liquid water retention effect at the denser layers near the surface. A comparison with established capillary pressure functions is presented. Altogether, the results show the potential of the XTM-method as a tool for studying the liquid water behavior in PEFC on a microscopic scale.

  4. Effects of polytetrafluoroethylene treatment and compression on gas diffusion layer microstructure using high-resolution X-ray computed tomography

    Science.gov (United States)

    Khajeh-Hosseini-Dalasm, Navvab; Sasabe, Takashi; Tokumasu, Takashi; Pasaogullari, Ugur

    2014-11-01

    The microstructure of a TGP-H-120 Toray paper gas diffusion layer (GDL) was investigated using high resolution X-ray computed tomography (CT) technique, with a resolution of 1.8 μm and a field of view (FOV) of ∼1.8 × 1.8 mm. The images obtained from the tomography scans were further post processed, and image thresholding and binarization methodologies are presented. The validity of Otsu's thresholding method was examined. Detailed information on bulk porosity and porosity distribution of the GDL at various Polytetrafluoroethylene (PTFE) treatments and uniform/non-uniform compression pressures was provided. A sample holder was designed to investigate the effects of non-uniform compression pressure, which enabled regulating compression pressure between 0, and 3 MPa at a gas channel/current collector rib configuration. The results show the heterogeneous and anisotropic microstructure of the GDL, non-uniform distribution of PTFE, and significant microstructural change under uniform/non-uniform compression. These findings provide useful inputs for numerical models to include the effects of microstructural changes in the study of transport phenomena within the GDL and to increase the accuracy and predictability of cell performance.

  5. Theoretical study of the diffusion 222Rn gas on activated charcoal

    International Nuclear Information System (INIS)

    Lopez, Fabio O.; Canoba, Analia C.

    2001-01-01

    The 222 Rn adsorption coefficient is the fundamental parameter characterizing activated carbon's ability to adsorb 222 Rn . In this work, it has been determined the 222 Rn coefficient adsorption for 222 Rn activated carbon detectors. Scintillation vials were used as detectors. The measurement of the 222 Rn activity adsorbed in activated carbon was made by a liquid scintillation measurement of its alpha-beta progeny decay. On the other hand, in this work a diffusion and adsorption model has been developed for the transport of 222 Rn in an activated carbon porous bed. The equation that describes these processes is a partial differential equation, of the second order with respect to axial coordinate, and the first order with respect to time. The equation was numerically solved using a finites differences method. With this model the 222 Rn activity adsorbed in the detector, for several situations, was calculated. The results were tested with the data obtained from series of experiences made in our laboratories. (author)

  6. Gas Diffusion Barriers Prepared by Spatial Atmospheric Pressure Plasma Enhanced ALD.

    Science.gov (United States)

    Hoffmann, Lukas; Theirich, Detlef; Pack, Sven; Kocak, Firat; Schlamm, Daniel; Hasselmann, Tim; Fahl, Henry; Räupke, André; Gargouri, Hassan; Riedl, Thomas

    2017-02-01

    In this work, we report on aluminum oxide (Al 2 O 3 ) gas permeation barriers prepared by spatial ALD (SALD) at atmospheric pressure. We compare the growth characteristics and layer properties using trimethylaluminum (TMA) in combination with an Ar/O 2 remote atmospheric pressure plasma for different substrate velocities and different temperatures. The resulting Al 2 O 3 films show ultralow water vapor transmission rates (WVTR) on the order of 10 -6 gm -2 d -1 . In notable contrast, plasma based layers already show good barrier properties at low deposition temperatures (75 °C), while water based processes require a growth temperature above 100 °C to achieve equally low WVTRs. The activation energy for the water permeation mechanism was determined to be 62 kJ/mol.

  7. Theoretical reconsiderations when estimating the mesophyll conductance to CO2 diffusion in leaves of C3 plants by analysis of combined gas exchange and chlorophyll fluorescence measurements

    NARCIS (Netherlands)

    Yin, X.; Struik, P.C.

    2009-01-01

    Existing methods to estimate the mesophyll conductance to CO2 diffusion (gm) are often based on combined gas exchange and chlorophyll fluorescence measurements. However, estimations of average gm by these methods are often unreliable either because the range of usable data is too narrow or because

  8. Pore-Network Modeling of Water and Vapor Transport in the Micro Porous Layer and Gas Diffusion Layer of a Polymer Electrolyte Fuel Cell

    NARCIS (Netherlands)

    Qin, C.; Hassanizadeh, S.M.; van Oosterhout, L.M.

    2016-01-01

    In the cathode side of a polymer electrolyte fuel cell (PEFC), a micro porous layer (MPL) added between the catalyst layer (CL) and the gas diffusion layer (GDL) plays an important role in water management. In this work, by using both quasi-static and dynamic pore-network models, water and vapor

  9. Solid phase characterization and gas transfers through unsaturated porous media: experimental study and modeling applied diffusion of hydrogen through cement-based materials

    International Nuclear Information System (INIS)

    Vu, T.H.

    2009-10-01

    This thesis documents the relationship between the porous microstructure of cement based materials and theirs gaseous diffusivity properties relative to the aqueous phase location and the global saturation level of the material. The materials studied are cement pastes and mortars. To meet the thesis objective, the materials are characterized in detail by means of several experimental methods: mercury intrusion porosimetry, water porosimetry, thermo-poro-metry, nitrogen sorption and water desorption. In addition, diffusion tests realized on materials maintained in controlled humidity chambers allow obtaining the effective hydrogen diffusivity as function of the microstructure and the saturation state of material with a gas chromatography. The experimental results are then used as a data base that is compared to a modeling approach. The model developed consists of a combination of ordinary diffusion (Fick regime) and Knudsen diffusion of hydrogen. The model also accounts for the effects of the liquid curtains, the impact of tortuosity on gas diffusion, and the saturation level of the porous system. (author)

  10. Dynamic pulsed-field-gradient NMR

    CERN Document Server

    Sørland, Geir Humborstad

    2014-01-01

    Dealing with the basics, theory and applications of dynamic pulsed-field-gradient NMR NMR (PFG NMR), this book describes the essential theory behind diffusion in heterogeneous media that can be combined with NMR measurements to extract important information of the system being investigated. This information could be the surface to volume ratio, droplet size distribution in emulsions, brine profiles, fat content in food stuff, permeability/connectivity in porous materials and medical applications currently being developed. Besides theory and applications it will provide the readers with background knowledge on the experimental set-ups, and most important, deal with the pitfalls that are numerously present in work with PFG-NMR. How to analyze the NMR data and some important basic knowledge on the hardware will be explained, too.

  11. Exploiting gas diffusion for non-invasive sampling in flow analysis: determination of ethanol in alcoholic beverages

    Directory of Open Access Journals (Sweden)

    Simone Vicente

    2006-03-01

    Full Text Available A tubular gas diffusion PTFE membrane is exploited for non-invasive sampling in flow analysis, aiming to develop an improved spectrophotometric determination of ethanol in alcoholic beverages. The probe is immersed into the sample, allowing ethanol to diffuse through the membrane. It is collected into the acceptor stream (acidic dichromate solution, leading to formation of Cr(III, monitored at 600 nm. The analytical curve is linear up to 50% (v/v ethanol, baseline drift is Uma membrana tubular de PTFE permeável a espécies gasosas foi empregada como sonda em sistemas de análises em fluxo visando a proposta de uma estratégia de amostragem não invasiva. Como aplicação, foi selecionada a determinação espectrofotométrica de etanol em bebidas alcoólicas. A sonda é imersa na amostra, permitindo que o analito se difunda através desta e seja coletado pelo fluxo aceptor (solução ácida de dicromato, levando à formação de Cr(III, o qual é monitorado a 600 nm. Linearidade da curva analítica é verificada até 50,0% (v/v de etanol (r > 0,998; n = 8, derivas de linha base são menores do que 0,005 absorbância durante períodos de 4 horas de operação e a velocidade analítica é de 30 h-1 o que corresponde a 0.6 mmol K2Cr2O7 por determinação. Os resultados são precisos (d.p.r. < 2% e concordantes com aqueles obtidos por um método oficial.

  12. Detection and reduction of diffuse liquid and gas emissions in chemical and petrochemical industries; Ermittlung und Verminderung diffuser fluessiger und gasfoermiger Emissionen in der chemischen und petrochemischen Industrie

    Energy Technology Data Exchange (ETDEWEB)

    Koeppke, K.E. [Witten-Herdecke Univ. gGmbH, Witten (Germany). Inst. fuer Umwelttechnik und Management; Cuhls, C. [Halle-Wittenberg Univ., Halle (Germany). Inst. fuer Umwelttechnik

    2002-09-01

    In order to improve environmental protection, VOC emissions from diffuse sources are of growing importance. For the first time in Germany the present research report gives a detailed presentation of: constructive measures for the avoidance and reduction of diffuse emissions, adequate assembling procedures for equipments and installations, technical possibilities of leak detection and, different methods for the estimation of total emissions from chemical and petrochemical production plants. On the basis of own investigations and monitoring measures taken at various plants of chemical and petrochemical industries different measuring techniques for leak detection as well as methods for the estimation of total emissions from diffuse sources are analysed and their limits are described. (orig.)

  13. Oxygen diffusion and edema with modern scleral rigid gas permeable contact lenses.

    Science.gov (United States)

    Compañ, Vicente; Oliveira, Cristina; Aguilella-Arzo, Marcel; Mollá, Sergio; Peixoto-de-Matos, Sofia C; González-Méijome, José M

    2014-09-04

    We defined the theoretical oxygen tension behind modern scleral contact lenses (CLs) made of different rigid gas permeable (RGP) materials, assuming different thickness of the tear layer behind the lens. A second goal was to show clinically the effect of the postlens tear film on corneal swelling. We simulated the partial pressure of oxygen across the cornea behind scleral CLs made of different lens materials (oxygen permeability Dk, 75-200 barrer) and different thickness (Tav, 100-300 μm). Postlens tear film thicknesses (Tpost-tear) ranging from 150 to 350 μm were considered. Eight healthy subjects were fitted randomly with a scleral lens with a thin and a thick postlens tear layer in two different sessions for a period of 3 hours under open-eye conditions. The CLs with less than 125 barrer of Dk and a thickness over 200 μm depleted the oxygen availability at the lens-cornea interface below 55 mm Hg for a postlens tear film of 150 μm. For a postlens tear film thickness of 350 μm, no combination of material or lens thickness will meet the criteria of 55 mm Hg. Our clinical measures of corneal edema showed that this was significantly higher (P Scleral RGP CLs must be comprised of at least 125 barrer of oxygen permeability and up to 200 μm thick to avoid hypoxic effects even under open eye conditions. Postlens tear film layer should be below 150 μm to avoid clinically significant edema. Copyright 2014 The Association for Research in Vision and Ophthalmology, Inc.

  14. Experimental study and modeling of gas diffusion through partially water saturated porous media. Application to Vycor glasses, geo-polymers and CEM V cement pastes

    International Nuclear Information System (INIS)

    Boher, C.

    2012-01-01

    This work documents the relationship that exists between the transfer properties of a material (pore size distribution, total porosity accessible to water, water saturation degree), and its diffusion coefficient. For this sake, materials having a quasi mono modal porosity are used: Vycor glasses and geo-polymers. We also use materials having a complex porosity: CEM V cement pastes. The use of Vycor glasses and geo-polymers allows quantifying the gas diffusion coefficient through materials having known pores size, as a function of their water saturation degree. The use of cement pastes allows checking if it is possible to decompose the diffusion coefficient of a complex porosity material, in an assembling of diffusion coefficients of quasi mono modal porosity materials. For this sake, the impact of pore network arrangement on the diffusion coefficient is studied in great details. This study is divided into three parts:1)Measurement of the geometric characteristics of materials porous network by means of the mercury intrusion porosimetry, water porosimetry, isotherms of nitrogen sorption / desorption, and water desorption tests. 2) Measurement of the materials diffusion coefficient, as a function of their relative humidity storage, and their water saturation degree. 3) Modeling the diffusion coefficient of the materials, and study the impact of the pore network (tortuosity, pores connection). (author) [fr

  15. Biases in Metallicity Measurements from Global Galaxy Spectra: The Effects of Flux Weighting and Diffuse Ionized Gas Contamination

    Science.gov (United States)

    Sanders, Ryan L.; Shapley, Alice E.; Zhang, Kai; Yan, Renbin

    2017-12-01

    Galaxy metallicity scaling relations provide a powerful tool for understanding galaxy evolution, but obtaining unbiased global galaxy gas-phase oxygen abundances requires proper treatment of the various line-emitting sources within spectroscopic apertures. We present a model framework that treats galaxies as ensembles of H II and diffuse ionized gas (DIG) regions of varying metallicities. These models are based upon empirical relations between line ratios and electron temperature for H II regions, and DIG strong-line ratio relations from SDSS-IV MaNGA IFU data. Flux-weighting effects and DIG contamination can significantly affect properties inferred from global galaxy spectra, biasing metallicity estimates by more than 0.3 dex in some cases. We use observationally motivated inputs to construct a model matched to typical local star-forming galaxies, and quantify the biases in strong-line ratios, electron temperatures, and direct-method metallicities as inferred from global galaxy spectra relative to the median values of the H II region distributions in each galaxy. We also provide a generalized set of models that can be applied to individual galaxies or galaxy samples in atypical regions of parameter space. We use these models to correct for the effects of flux-weighting and DIG contamination in the local direct-method mass-metallicity and fundamental metallicity relations, and in the mass-metallicity relation based on strong-line metallicities. Future photoionization models of galaxy line emission need to include DIG emission and represent galaxies as ensembles of emitting regions with varying metallicity, instead of as single H II regions with effective properties, in order to obtain unbiased estimates of key underlying physical properties.

  16. Effect of the hydrophilic and hydrophobic characteristics of the gas diffusion medium on polymer electrolyte fuel cell performance under non-humidification condition

    International Nuclear Information System (INIS)

    Park, Heesung

    2014-01-01

    Highlights: • GDM played significant role in the PEFC performance under dry condition. • Hydrophobicity of GDM affect the water condensation at the surface. • Optimum water saturation in the porous layer was between 0.1 and 0.3. - Abstract: Water is a significant component of polymer electrolyte fuel cells, affecting the proton conductivity in the membrane electrolyte. Therefore, polymer electrolyte fuel cells are generally operated with a humidifier to maintain a high relative humidity of the supplied gases; however, the humidifier contributes additional weight and cost. Although many studies have attempted to develop polymer electrolyte fuel cells without a humidifier, the studies have been mainly focused on the self-humidified membrane electrolyte and catalyst layer. In this paper, the author investigates the effect of polytetrafluoroethylene coated gas diffusion medium on the water content in the membrane electrolyte. The water condensation on the surfaces of the gas diffusion medium is visualised when the polymer electrolyte fuel cell is operated under non-humidification conditions. Numerical simulation suggests that the optimum water saturation is between 0.1 and 0.3 at the gas diffusion medium to hydrate the membrane electrolyte sufficiently without significantly blocking the diffused species under non-humidification conditions

  17. X-ray Tomographic Analysis of Porosity Distributions in Gas Diffusion Layers of Proton Exchange Membrane Fuel Cells

    International Nuclear Information System (INIS)

    Odaya, S.; Phillips, R.K.; Sharma, Y.; Bellerive, J.; Phillion, A.B.; Hoorfar, M.

    2015-01-01

    This paper describes a method to characterize the structure of polytetrafluoroethylene (PTFE) treated gas diffusion layers (GDLs) with and without microporous layers (MPLs) using 3D X-ray micro computed tomographic (μCT) microscopy. In this work, the structure of single and dual layer GDLs is evaluated via μCT for various GDL samples (such as Toray TGP-H-060 and AvCarb EP40) loaded with different MPLs. A new method is presented for separating, or segmenting, the various phases of the GDL, i.e., void space, carbon fiber (including binder and PTFE), and MPL. Through analysis, it was found that the variation in bulk porosity and the average pore diameter of the GDLs depends highly on the GDL series manufacturing and treatment processes. Using advanced image analysis techniques, routines were developed to accurately segment the GDL fibers (including binder/PTFE) and the MPL. The percentage of the intruding MPL material into the carbon fiber paper as a function of the GDL thickness was successfully found for dual layer GDLs, with varying PTFE content and areal weight loading in the MPL. This analysis provides invaluable insight into the physical microstructure of paper-based GDLs, emphasizing the heterogeneous porosity distribution of single layer GDLs and the interaction of the MPL with the carbon fiber paper of dual layer GDLs

  18. Stability and performance improvement of a polymer electrolyte membrane fuel cell stack by laser perforation of gas diffusion layers

    Energy Technology Data Exchange (ETDEWEB)

    Gerteisen, Dietmar; Sadeler, Christian [Fraunhofer Institute for Solar Energy Systems ISE, Department of Energy Technology, Heidenhofstrasse 2, 79110 Freiburg (Germany)

    2010-08-15

    The performance and stability of a hydrogen-driven polymer electrolyte membrane fuel cell stack (6-cell PEFC stack) are investigated with regard to pore flooding within the gas diffusion layers (GDLs). Two short stacks with various GDLs (Toray TGP-H-060 untreated and laser-perforated) were characterized at different operating conditions by several characterization techniques such as constant current load, polarization curve, chronoamperometry and chronovoltammetry. The experimental results reveal that the perforation of the cathode GDLs improves the water transport in the porous media and thus the performance as well as the stability of the operating stack in medium and high current density range. A reduced pore flooding is verified when using the customized laser-perforated GDLs. The GDL perforation has a huge potential to balance the inhomogeneous in-plane saturation conditions between the inlet and outlet area of the cell and to compensate to a certain degree the effects of temperature distribution within a stack regarding the water management. (author)

  19. Stability and performance improvement of a polymer electrolyte membrane fuel cell stack by laser perforation of gas diffusion layers

    Science.gov (United States)

    Gerteisen, Dietmar; Sadeler, Christian

    The performance and stability of a hydrogen-driven polymer electrolyte membrane fuel cell stack (6-cell PEFC stack) are investigated with regard to pore flooding within the gas diffusion layers (GDLs). Two short stacks with various GDLs (Toray TGP-H-060 untreated and laser-perforated) were characterized at different operating conditions by several characterization techniques such as constant current load, polarization curve, chronoamperometry and chronovoltammetry. The experimental results reveal that the perforation of the cathode GDLs improves the water transport in the porous media and thus the performance as well as the stability of the operating stack in medium and high current density range. A reduced pore flooding is verified when using the customized laser-perforated GDLs. The GDL perforation has a huge potential to balance the inhomogeneous in-plane saturation conditions between the inlet and outlet area of the cell and to compensate to a certain degree the effects of temperature distribution within a stack regarding the water management.

  20. Enhanced hydroxyl radical generation in the combined ozonation and electrolysis process using carbon nanotubes containing gas diffusion cathode.

    Science.gov (United States)

    Wu, Donghai; Lu, Guanghua; Zhang, Ran; Lin, Qiuhong; Yan, Zhenhua; Liu, Jianchao; Li, Yi

    2015-10-01

    Combination of ozone together with electrolysis (ozone-electrolysis) is a promising wastewater treatment technology. This work investigated the potential use of carbon nanotube (CNT)-based gas diffusion cathode (GDC) for ozone-electrolysis process employing hydroxyl radicals (·OH) production as an indicator. Compared with conventional active carbon (AC)-polytetrafluoroethylene (PTFE) and carbon black (CB)-PTFE cathodes, the production of ·OH in the coupled process was improved using CNTs-PTFE GDC. Appropriate addition of acetylene black (AB) and pore-forming agent Na2SO4 could enhance the efficiency of CNTs-PTFE GDC. The optimum GDC composition was obtained by response surface methodology (RSM) analysis and was determined as CNTs 31.2 wt%, PTFE 60.6 wt%, AB 3.5 wt%, and Na2SO4 4.7 wt%. Moreover, the optimized CNT-based GDC exhibited much more effective than traditional Ti and graphite cathodes in Acid Orange 7 (AO7) mineralization and possessed the desirable stability without performance decay after ten times reaction. The comparison tests revealed that peroxone reaction was the main pathway of ·OH production in the present system, and cathodic reduction of ozone could significantly promote ·OH generation. These results suggested that application of CNT-based GDC offers considerable advantages in ozone-electrolysis of organic wastewater.

  1. Assessing porosity of proton exchange membrane fuel cell gas diffusion layers by scanning electron microscope image analysis

    Science.gov (United States)

    Farmer, Johnathon; Duong, Binh; Seraphin, Supapan; Shimpalee, Sirivatch; Martínez-Rodríguez, Michael J.; Van Zee, John W.

    2012-01-01

    A gas diffusion layer (GDL) in a proton exchange membrane fuel cell may consist of several, materials of different porosities, with each material serving a specific set of functions. For example, samples analyzed in this work consisted of a macro porous carbon paper substrate treated with a, hydrophobic wet proofing material in differing amounts, which was then coupled to a micro porous, layer. The porosities of four such GDLs were determined by using 2D scanning electron microscope (SEM) images to mathematically model the volumes filled by each solid in the 3D structures. Results, were then compared with mercury intrusion porosimetry (MIP) measurements to verify the accuracy, of the method. It was found that the use of SEM not only allowed for detailed porosity analysis of, separate porous materials within the GDL, but also porosity for the entire GDL could be calculated for, the seemingly complex structures with reasonable accuracy. With some basic geometric assumptions, and use of the superposition principle, the calculated results were accurate to less than a 2% absolute, difference of the porosity measured by MIP for each of the four samples analyzed.

  2. A novel microbial fuel cell sensor with a gas diffusion biocathode sensing element for water and air quality monitoring.

    Science.gov (United States)

    Jiang, Yong; Liang, Peng; Huang, Xia; Ren, Zhiyong Jason

    2018-03-26

    Toxicity monitoring is essential for the protection of public health and ecological safety. Microbial fuel cell (MFC) sensors demonstrated good potential in toxicity monitoring, but current MFC sensors can only be used for anaerobic water monitoring. In this study, a novel gas diffusion (GD)-biocathode sensing element was fabricated using a simple method. The GD-biocathode MFC sensor can directly be used for formaldehyde detection (from 0.0005% to 0.005%) in both aerobic and anaerobic water bodies. Electrochemical analysis indicated that the response by the sensor was caused by the toxic inhibition to the microbial activity for the oxygen reduction reaction (ORR). This study for the first time demonstrated that the GD-biocathode MFC sensor has a detection limit of 20 ppm for formaldehyde and can be used to monitor air pollution. Selective sensitivity to formaldehyde was not achieved as the result of using a mixed-culture, which confirms that it can serve as a generic biosensor for monitoring gaseous pollutants. This study expands the realm of knowledge for MFC sensor applications. Copyright © 2018. Published by Elsevier Ltd.

  3. Experimental investigations on liquid water removal from the gas diffusion layer by reactant flow in a PEM fuel cell

    Energy Technology Data Exchange (ETDEWEB)

    Jiao, Kui; Li, Xianguo [Department of Mechanical and Mechatronics Engineering, University of Waterloo, 200 University Avenue West, Waterloo, Ontario (Canada); Park, Jaewan [Department of Mechanical and Aeronautical Engineering, University of California, Davis One Shields Ave., Davis, CA 95616 (United States)

    2010-09-15

    The cross flow from channel to channel through gas diffusion layer (GDL) under the land could play an important role for water removal in proton exchange membrane (PEM) fuel cells. In this study, characteristics of liquid water removal from GDL have been investigated experimentally, through measuring unsteady pressure drop in a cell which has the GDL initially wet with liquid water. The thickness of GDL is carefully controlled by inserting various thicknesses of metal shims between the plates. It has been found that severe compression of GDL could result in excessive pressure drop from channel inlet to channel outlet. Removing liquid water from GDL by cross flow is difficult for GDL with high compression levels and for low inlet air flow rates. However, effective water removal can still be achieved at high compression levels of GDL if the inlet air flow rate is high. Based on different compressed GDL thicknesses, different GDL porosities and permeabilities were calculated and their effects on the characteristics of liquid water removal from GDL were evaluated. Visualization of liquid water transport has been conducted by using transparent flow channel, and liquid water removal from GDL under the land was observed for all the tested inlet air flow rates, which confirms that cross flow is practically effective to remove the liquid water accumulated in GDL under the land area. (author)

  4. Spectrophotometric flow-injection determination of sulphite in white wines involving gas diffusion through a concentric tubular membrane

    Directory of Open Access Journals (Sweden)

    Melo Denise

    2003-01-01

    Full Text Available A flow-injection system is proposed for the spectrophotometric determination of sulphite in white wines. The method involves analyte conversion to SO2, gas diffusion through a Teflon® semi-permeable membrane, collection into an alkaline stream (pH 8, reaction with Malachite green (MG and monitoring at 620 nm. With a concentric tubular membrane, the system design was simplified. Influence of reagent concentrations, pH of donor and acceptor streams, temperature, timing, surfactant addition and presence of potential interfering species of the wine matrix were investigated. A pronounced (ca. 100% enhancement in sensitivity was noted by adding cetylpyridinium chloride (CPC. The proposed system is robust and baseline drift is not observed during 4 h operating periods. Only 400 muL of sample and 0.32 mg MG are required per determination. The system handles 30 samples per hour, yielding precise results (r.s.d. < 0.015 for 1.0 - 20.0 mg L-1 SO2 in agreement with those obtained by an alternative procedure.

  5. Interstellar simulations using a unified microscopic-macroscopic Monte Carlo model with a full gas-grain network including bulk diffusion in ice mantles

    International Nuclear Information System (INIS)

    Chang, Qiang; Herbst, Eric

    2014-01-01

    We have designed an improved algorithm that enables us to simulate the chemistry of cold dense interstellar clouds with a full gas-grain reaction network. The chemistry is treated by a unified microscopic-macroscopic Monte Carlo approach that includes photon penetration and bulk diffusion. To determine the significance of these two processes, we simulate the chemistry with three different models. In Model 1, we use an exponential treatment to follow how photons penetrate and photodissociate ice species throughout the grain mantle. Moreover, the products of photodissociation are allowed to diffuse via bulk diffusion and react within the ice mantle. Model 2 is similar to Model 1 but with a slower bulk diffusion rate. A reference Model 0, which only allows photodissociation reactions to occur on the top two layers, is also simulated. Photodesorption is assumed to occur from the top two layers in all three models. We found that the abundances of major stable species in grain mantles do not differ much among these three models, and the results of our simulation for the abundances of these species agree well with observations. Likewise, the abundances of gas-phase species in the three models do not vary. However, the abundances of radicals in grain mantles can differ by up to two orders of magnitude depending upon the degree of photon penetration and the bulk diffusion of photodissociation products. We also found that complex molecules can be formed at temperatures as low as 10 K in all three models.

  6. Characterization and improvement gas diffusion layer of low temperature fuel cell; Caracterizacao e aprimoramento da camada difusora de celulas a combustivel de funcionamento a baixa temperatura

    Energy Technology Data Exchange (ETDEWEB)

    Ramos, C.Z.; Dantas, R.; Oliveira, I.S. de; Azevedo, C.M.N.; Pires, M. [Pontificia Univ. Catolica do Rio Grande do Sul (PUC-RS), Porto Alegre, RS (Brazil). Faculdade de Quimica; Canalli, V. [Pontificia Univ. Catolica do Rio Grande do Sul (PUC-RS), Porto Alegre, RS (Brazil). Faculdade de Engenharia

    2006-07-01

    In low temperature fuel cells the main part is the membrane electrode assembly (MEA). The gas diffusion layer is a component of the MEA, being a composite material constituted by carbon powder and polytetrafluoroethylene, used to increases hydrofobicity, fundamental characteristic in water transport into system. In this work methods were adapted with the aim to a better characterization of the diffusion layer by the measuring the following parameter: contact angle and hysteresis; morphology, thickness and porosity. From these characterization results optimized MEAS will be produced to better fuel cell performance. (author)

  7. Hydride spectroscopy of the diffuse interstellar medium: new clues on the gas fraction in molecular form and cosmic ray ionization rate in relation to H3+.

    Science.gov (United States)

    Gerin, M; Levrier, F; Falgarone, E; Godard, B; Hennebelle, P; Le Petit, F; De Luca, M; Neufeld, D; Sonnentrucker, P; Goldsmith, P; Flagey, N; Lis, D C; Persson, C M; Black, J H; Goicoechea, J R; Menten, K M

    2012-11-13

    The Herschel-guaranteed time key programme PRobing InterStellar Molecules with Absorption line Studies (PRISMAS)(1) is providing a survey of the interstellar hydrides containing the elements C, O, N, F and Cl. As the building blocks of interstellar molecules, hydrides provide key information on their formation pathways. They can also be used as tracers of important physical and chemical properties of the interstellar gas that are difficult to measure otherwise. This paper presents an analysis of two sight-lines investigated by the PRISMAS project, towards the star-forming regions W49N and W51. By combining the information extracted from the detected spectral lines, we present an analysis of the physical properties of the diffuse interstellar gas, including the electron abundance, the fraction of gas in molecular form, and constraints on the cosmic ray ionization rate and the gas density.

  8. Nonlinear ambipolar diffusion waves

    Energy Technology Data Exchange (ETDEWEB)

    Mendonca, J.T.; Rowlands, G.

    1985-07-01

    The evolution of a plasma perturbation in a neutral gas is considered using the ambipolar diffusion approximation. A nonlinear diffusion equation is derived and, in the one-dimensional case, exact solutions of shock type are obtained.

  9. The use of diffusive samplers for collecting organic gaseous constituents in waste gases. Diffusionssammler zur Probenahme von organischen gas- und dampffoermigen Substanzen in Abgasen

    Energy Technology Data Exchange (ETDEWEB)

    Canela, A.; Gruntz, U.; Muehleisen, H.; Tanner, S. (Sandoz AG, Basel (Switzerland). Umweltschutzlaboratorien)

    1990-01-01

    A relatively simple procedure for sample collection of multicomponent organic emissions is presented. A representative part of the waste gas is taken by means of a sampling probe and flows to the coupled sampling device. The gaseous constituents are collected in several diffusive samplers at the bottom of the device. Influencing parameters such as pressure, temperature, gas velocity etc., which may affect the collection rate and therefore the measured values, were investigated in the laboratory. Depending on the analytical detection limit, the sampling time and the diffusion parameters, the method can be applied for the determination of integrated emission concentrations between 0.1 mg/m{sup 3} and 1 g/m{sup 3}. (orig.).

  10. Pore network modeling to explore the effects of compression on multiphase transport in polymer electrolyte membrane fuel cell gas diffusion layers

    Science.gov (United States)

    Fazeli, Mohammadreza; Hinebaugh, James; Fishman, Zachary; Tötzke, Christian; Lehnert, Werner; Manke, Ingo; Bazylak, Aimy

    2016-12-01

    Understanding how compression affects the distribution of liquid water and gaseous oxygen in the polymer electrolyte membrane fuel cell gas diffusion layer (GDL) is vital for informing the design of improved porous materials for effective water management strategies. Pore networks extracted from synchrotron-based micro-computed tomography images of compressed GDLs were employed to simulate liquid water transport in GDL materials over a range of compression pressures. The oxygen transport resistance was predicted for each sample under dry and partially saturated conditions. A favorable GDL compression value for a preferred liquid water distribution and oxygen diffusion was found for Toray TGP-H-090 (10%), yet an optimum compression value was not recognized for SGL Sigracet 25BC. SGL Sigracet 25BC exhibited lower transport resistance values compared to Toray TGP-H-090, and this is attributed to the additional diffusion pathways provided by the microporous layer (MPL), an effect that is particularly significant under partially saturated conditions.

  11. Experimental study on the self-humidification effect in proton exchange membrane fuel cells containing double gas diffusion backing layer

    International Nuclear Information System (INIS)

    Kong, Im Mo; Choi, Jong Won; Kim, Sung Il; Lee, Eun Sook; Kim, Min Soo

    2015-01-01

    Highlights: • Investigated self-humidification effect of structurally modified GDBLs in PEMFCs. • One conventional and two modified GDLs were prepared. • Structural design of the GDBLs significantly affected self-humidification. • Stacking was found to have negligible effect on self-humidification. • It can be applied readily to self-humidified PEMFCs. - Abstract: Adequate hydration of the membrane is required to ensure high proton conductivity in proton exchange membrane fuel cells (PEMFCs), which, in turn, is required for achieving high cell performances. While external humidifiers are typically used to humidify the supplied air in conventional systems, their use increases the complexity, weight, volume, and parasitic power loss in fuel cell systems, rendering them unviable in some systems, particularly for portable applications. In this study, the structure of a gas diffusion backing layer (GDBL) was modified to enhance the self-humidification effect in PEMFCs. Three types of GDLs were prepared for the experiments: a conventional GDL (GDL-A with uniform single GDBL) and two modified GDLs (GDL-A′B with uniform double GDBL and GDL-A′C with heterogeneous double GDBLs). In order to evaluate the effect of stacking and structural design on the self-humidification characteristics, some characteristics of the GDLs such as contact angle, resistance, and vapor permeation rate were measured. The electrochemical performances of the fuel cells were also measured at various relative humidity (RH) and stoichiometric ratio (SR) conditions. The results showed that stacking had a negligible effect, whereas the structural design of the GDBL had a significant effect on self-humidification. The self-humidification effect and the cell performance were improved significantly in the structurally modified GDBL. In addition, considering the actual field conditions and the results of the present study, it was concluded that the structural modifications made to the GDBL would

  12. A one-dimensional lattice-gas model for simulating diffusion in channel pores with side pockets: The analytical approach and kinetic Monte Carlo technique

    Czech Academy of Sciences Publication Activity Database

    Tarasenko, Alexander; Jastrabík, Lubomír

    2012-01-01

    Roč. 152, APR (2012), s. 134-140 ISSN 1387-1811 R&D Projects: GA TA ČR TA01010517 Institutional research plan: CEZ:AV0Z10100522 Keywords : lattice-gas systems * diffusion * Monte Carlo simulations Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.365, year: 2012 http://dx.doi.org/10.1016/j.micromeso.2011.11.046

  13. Anomalous spreading of a density front from an infinite continuous source in a concentration-dependent lattice gas automaton diffusion model

    CERN Document Server

    Kuentz, M

    2003-01-01

    A two-dimensional lattice gas automaton (LGA) is used for simulating concentration-dependent diffusion in a microscopically random heterogeneous structure. The heterogeneous medium is initialized at a low density rho sub 0 and then submitted to a steep concentration gradient by continuous injection of particles at a concentration rho sub 1 >rho sub 0 from a one-dimensional source to model spreading of a density front. Whereas the nonlinear diffusion equation generally used to describe concentration-dependent diffusion processes predicts a scaling law of the type phi = xt sup - sup 1 sup / sup 2 in one dimension, the spreading process is shown to deviate from the expected t sup 1 sup / sup 2 scaling. The time exponent is found to be larger than 1/2, i.e. diffusion of the density front is enhanced with respect to standard Fickian diffusion. It is also established that the anomalous time exponent decreases as time elapses: anomalous spreading is thus not a timescaling process. We demonstrate that occurrence of a...

  14. Anisotropy in "isotropic diffusion" measurements due to nongaussian diffusion

    DEFF Research Database (Denmark)

    Jespersen, Sune Nørhøj; Olesen, Jonas Lynge; Ianuş, Andrada

    2017-01-01

    Designing novel diffusion-weighted NMR and MRI pulse sequences aiming to probe tissue microstructure with techniques extending beyond the conventional Stejskal-Tanner family is currently of broad interest. One such technique, multidimensional diffusion MRI, has been recently proposed to afford...... model-free decomposition of diffusion signal kurtosis into terms originating from either ensemble variance of isotropic diffusivity or microscopic diffusion anisotropy. This ability rests on the assumption that diffusion can be described as a sum of multiple Gaussian compartments, but this is often...

  15. Studies on supramolecular gel formation using DOSY NMR

    Czech Academy of Sciences Publication Activity Database

    Nonappa, N.; Šaman, David; Kolehmainen, E.

    2015-01-01

    Roč. 53, č. 4 (2015), s. 256-260 ISSN 0749-1581 Institutional support: RVO:61388963 Keywords : DOSY * VT NMR * gel * diffusion coefficients Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.226, year: 2015

  16. Influence of artificially aged gas diffusion layers on the water management of polymer electrolyte membrane fuel cells analyzed with in-operando synchrotron imaging

    International Nuclear Information System (INIS)

    Arlt, Tobias; Klages, Merle; Messerschmidt, Matthias; Scholta, Joachim; Manke, Ingo

    2017-01-01

    The influence of artificial ageing of gas diffusion layers (GDLs) on the cell performance was investigated using high resolution synchrotron radiography. State-of-the-art GDLs of the type SIGRACET ® SGL 25BC were aged for 0 h, 16 h and 24 h in a hydrogen peroxide solution before they were assembled in the fuel cells. In-operando radiographic measurements were combined with voltage and contact angle measurements. Correlations between applied ageing conditions, GDL water saturation and cell performance were revealed. Hereby, all cell operating conditions were tested several times to estimate the reproducibility of in-operando radiographic fuel cell measurements. Water films at the GDL-membrane and at the GDL-flow field interfaces were found and attributed to MPL cracks and large pores in the GDL structure. The combination of these cracks and pores are assumed to play a crucial role for blocked gas paths, leading to an undersupply with reactants and an increased humidification of the membrane. It is shown that water agglomerations directly impact the membrane resistance. We assume that the hydrophobicity of the fibers inside the GDL is more important for the cell performance than water agglomerations at the membrane-GDL interface. - Highlights: • Influence of ageing of gas diffusion layers on cell performance was investigated. • Cell performance decreased using artificially aged GDLs. • Performance decrease correlated to altered water distribution. • Reproducibility of water thickness measurements with synchrotron imaging.

  17. Diffusing capacity for lung carbon monoxide (dlco) in chemical lung injuries due to the use of mustard gas in the poisoned soldiers of Iran-Iraq war 2006

    International Nuclear Information System (INIS)

    Rouhi, H.; Ganji, F.

    2010-01-01

    To assess the Mustard gas exposure effects on pulmonary system, particularly on diffusing capacity for lung carbon monoxide (DLCO) and simple spirometry. Sixty-five sulfur mustard- poisoned soldiers from Mostazafan and Janbazan organization were referred to our center in 2005. Complete history, physical examination, chest X ray, Echocardiography, Arterial blood gas, high - resolution computerized tomography, diffusion capacity for lung carbon monoxide and spirometry of these were performed and compared this result with normal value. The mean value of indices in studied injured subjects was: Spirometry: forced expiratory volume in one second (FEV1) = 70.4, Forced vital capacity (FVC) = 66.5, EFE 25-75=81.1, FEV1/FVC=101.9, Flow 25% = 28.7, Flow 50%= 72.9, Flow 75%= 100.1, Sample volume: Functional residual capacity of lungs (FRC) = 131.5, residual volume (RV) = 157.3, RV/TLC= 169.1, Total lung capacity (TLC) = 91.3, KCO= 131.6, TLCO= 116.3. No significant correlation was observed between TLCO values with HRCT, echocardiography, ABG and spirometry values (P>0.05). We recommend TLCO and RV/TLV tests to assess severity of Injuries as there is no a suitable criterion to measure the real consequences of mustard gas on affected combatants. and Biological markers are also needed to determine cause effect relations. (author)

  18. Apparatus for diffusion separation

    International Nuclear Information System (INIS)

    Nierenberg, W.A.; Pontius, R.B.

    1976-01-01

    The method of testing the separation efficiency of porous permeable membranes is described which comprises causing a stream of a gaseous mixture to flow into contact with one face of a finely porous permeable membrane under such conditions that a major fraction of the mixture diffuses through the membrane, maintaining a rectangular cross section of the gaseous stream so flowing past said membrane, continuously recirculating the gas that diffuses through said membrane and continuously withdrawing the gas that does not diffuse through said membrane and maintaining the volume of said recirculating gas constant by continuously introducing into said continuously recirculating gas stream a mass of gas equivalent to that which is continuously withdrawn from said gas stream and comparing the concentrations of the light component in the entering gas, the withdrawn gas and the recirculated gas in order to determine the efficiency of said membrane

  19. All-optical evaluation of spin-orbit interaction based on diffusive spin motion in a two-dimensional electron gas

    Energy Technology Data Exchange (ETDEWEB)

    Kohda, M. [IBM Research–Zürich, Säumerstrasse 4, CH-8803 Rüschlikon (Switzerland); Department of Materials Science, Tohoku University, 980-8579 Sendai (Japan); Altmann, P.; Salis, G. [IBM Research–Zürich, Säumerstrasse 4, CH-8803 Rüschlikon (Switzerland); Schuh, D.; Ganichev, S. D. [Institute of Experimental and Applied Physics, University of Regensburg, D-93040 Regensburg (Germany); Wegscheider, W. [Solid State Physics Laboratory, ETH Zürich, CH-8093 Zürich (Switzerland)

    2015-10-26

    A method is presented that enables the measurement of spin-orbit coefficients in a diffusive two-dimensional electron gas without the need for processing the sample structure, applying electrical currents or resolving the spatial pattern of the spin mode. It is based on the dependence of the average electron velocity on the spatial distance between local excitation and detection of spin polarization, resulting in a variation of spin precession frequency that in an external magnetic field is linear in the spatial separation. By scanning the relative positions of the exciting and probing spots in a time-resolved Kerr rotation microscope, frequency gradients along the [100] and [010] crystal axes of GaAs/AlGaAs QWs are measured to obtain the Rashba and Dresselhaus spin-orbit coefficients, α and β. This simple method can be applied in a variety of materials with electron diffusion for evaluating spin-orbit coefficients.

  20. The influence of diffusion and of reabsorption of radiation on the particle and energy balance of an infinitely long quasi-cylindrical discharge in hydrogen gas

    International Nuclear Information System (INIS)

    Goedheer, W.J.

    1978-09-01

    A numerical study of the pressure and temperature profiles of an infinitely long quasi-cylindrical discharge in hydrogen gas is presented. In particular the influence of the diffusion of atoms in the ground state and the reabsorption of Lyman-α and Lyman-β radiation on both the particle balance and the energy balance of the discharge is studied. Because the transport of the charged particles is corrected for toroidal effects in the regime of high collisionality which is present in the discharge, the model is quasi-cylindrical. The results obtained show an increase of the neutral density on the axis and of the ion and electron density near the wall of the discharge, as compared with earlier calculations in which both diffusion and reabsorption of radiation were neglected. The results are in agreement with measurements in the 'Ringboog' experiment. (Auth.)

  1. NMR imaging of human atherosclerosis

    International Nuclear Information System (INIS)

    Toussaint, J.F.

    1995-01-01

    Diagnosis and prognosis of atherosclerosis can no longer be evaluated with morphological parameters only. A description of atherosclerotic plaque composition is necessary to study the mechanisms of plaque rupture, which depends on collagenous cap and lipid core thicknesses. NMR, as a biochemical imaging technique, allows visualization of these components using T1 contrast (mobile lipids), T2 contrast (cap vs. core), spin density (calcifications), diffusion imaging, 1H and 13C spectroscopy. Today, these imaging sequences allow to study in vitro the effects of interventional techniques such as angioplasty or atherectomy. Clinical investigations begin, which will attempt to develop in vivo microscopy and test the ability of NMR to predict plaque rupture. (author). 13 refs., 7 figs

  2. Determination of permeability and diffusivity of oxygen in polymers by polarographic method with inert gas by polarographic method with inert gas

    Czech Academy of Sciences Publication Activity Database

    Wichterlová, J.; Wichterle, K.; Michálek, Jiří

    2005-01-01

    Roč. 46, č. 23 (2005), s. 9974-9986 ISSN 0032-3861 R&D Projects: GA ČR GA106/00/1296 Institutional research plan: CEZ:AV0Z40500505 Keywords : oxygen permeability * oxygen diffusivity * polarographic method Subject RIV: CD - Macromolecular Chemistry Impact factor: 2.849, year: 2005

  3. In situ diagnostic of water distribution in thickness direction of MEA by neutron imaging. Focused on characteristics of water distribution in gas diffusion layer

    International Nuclear Information System (INIS)

    Tasaki, Yutaka; Ichikawa, Yasushi; Kobo, Norio; Shinohara, Kazuhiko; Boillat, Pierre; Kramer, Denis; Scherer, Gunther G.; Lehmann, Eberhard H.

    2008-01-01

    The mass transfer characteristics of gas diffusion layer (GDL) are closely related to cell performance in PEFC. In this study, In situ diagnostic of water distribution in thickness direction of MEA by Neutron Imaging has been carried out for three MEAs with different GDLs on cathode side as well as I-V characteristics. It was confirmed that this method is useful for analyzing water distribution in thickness direction of MEA. The relationship between I-V characteristics and liquid water distribution has been studied. (author)

  4. Characterization of water exchange and two-phase flow in porous gas diffusion materials by hydrogen-deuterium contrast neutron radiography

    Science.gov (United States)

    Manke, Ingo; Hartnig, Christoph; Kardjilov, Nikolay; Messerschmidt, Matthias; Hilger, André; Strobl, Markus; Lehnert, Werner; Banhart, John

    2008-06-01

    Liquid water exchange in two-phase flows within hydrophobic porous gas diffusion materials of polymer electrolyte membrane fuel cells was investigated spatially resolved with H-D contrast neutron radiography. A commonly used one-phase model is sufficient to describe water exchange characteristics at low water production rates. At higher rates, however, a significantly higher exchange velocity is found than predicted by a simple model. A new model for the water transport is derived based on an eruptive mechanism guided by Haines jumps, which is supported by recent experimental findings and leads to a very good agreement with the experiments.

  5. Investigation of the effect of a hydrophilic layer in the gas diffusion layer of a polymer electrolyte membrane fuel cell on the cell performance and cold start behaviour

    International Nuclear Information System (INIS)

    Hirakata, Satoki; Hara, Masanori; Kakinuma, Katsuyosi; Uchida, Makoto; Tryk, Donald A.; Uchida, Hiroyuki; Watanabe, Masahiro

    2014-01-01

    Highlights: • Gas diffusion layer (GDL) characterization was carried out by Raman spectroscopy. • A fuel cell using a GDL with a hydrophilic layer showed superior performance. • This cell also showed favorable cold start performance from -10 °C. • The hydrophilic layer improves water retention under low humidity conditions. • The hydrophilic layer enhances water removal for high humidity and cold startup. - Abstract: The effect on PEFC performance of a gas diffusion layer (GDL) with a hydrophilic layer (HL) between the microporous layer (MPL) and the carbon paper (CP) was investigated at high and low humidity at normal operating temperatures and at subfreezing temperatures. Scanning electron microscopic examination and micro-Raman spectroscopic examination were carried out on the three-layer structure (MPL, HL and CP). In addition, high magnification SEM images of the samples showed that the HL had smaller pores than the MPL of the HL-GDL. Thus, we consider that the capillary pressure in the pores of the HL was higher than that in the MPL of the HL-GDL, which suggests that the HL can absorb more water. The performances of cells using the GDL with or without a HL were compared. The cell using a GDL with a HL showed a higher performance than a cell with a conventional GDL in the high current density region at both high and low humidity. At high humidity, the HL can absorb generated water, improving water removal from the catalyst layer (CL) to the GDL, and inhibiting the stoppage of gas diffusion by condensed water in the CL. At low humidity, the HL enhanced the water retention in the MEA, inhibiting the decrease of proton conductivity of the electrolyte by dehydration. A cell using a GDL with a HL also showed superior performance during cold startup from -10 °C, due to water removal by the HL, inhibiting the blockage of gas diffusion by condensed or frozen water in the CL. These results indicate that an HL placed between the MPL and the carbon paper of

  6. Gas

    International Nuclear Information System (INIS)

    1996-01-01

    The French government has decided to modify the conditions of extension of local natural gas authorities to neighbouring districts. The European Union is studying the conditions of internal gas market with the objective of more open markets although considering public service requirements

  7. Xenon NMR measurements of permeability and tortuosity in reservoir rocks.

    Science.gov (United States)

    Wang, Ruopeng; Pavlin, Tina; Rosen, Matthew Scott; Mair, Ross William; Cory, David G; Walsworth, Ronald Lee

    2005-02-01

    In this work we present measurements of permeability, effective porosity and tortuosity on a variety of rock samples using NMR/MRI of thermal and laser-polarized gas. Permeability and effective porosity are measured simultaneously using MRI to monitor the inflow of laser-polarized xenon into the rock core. Tortuosity is determined from measurements of the time-dependent diffusion coefficient using thermal xenon in sealed samples. The initial results from a limited number of rocks indicate inverse correlations between tortuosity and both effective porosity and permeability. Further studies to widen the number of types of rocks studied may eventually aid in explaining the poorly understood connection between permeability and tortuosity of rock cores.

  8. A new boundary scheme for simulation of gas flow in kerogen pores with considering surface diffusion effect

    Science.gov (United States)

    Wang, Lingquan; Zeng, Zhong; Zhang, Liangqi; Qiao, Long; Zhang, Yi; Lu, Yiyu

    2018-04-01

    Navier-Stokes (NS) equations with no-slip boundary conditions fail to realistically describe micro-flows with considering nanoscale phenomena. Particularly, in kerogen pores, slip-flow and surface diffusion are important. In this study, we propose a new slip boundary scheme for the lattice Boltzmann (LB) method through the non-equilibrium extrapolation scheme to simulate the slip-flow considering surface diffusion effect. Meanwhile, the second-order slip velocity can be taken into account. The predicted characteristics in a two-dimensional micro-flow, including slip-velocity, velocity distribution along the flow direction with/without surface diffusion are present. The results in this study are compared with available analytical and reference results, and good agreements are achieved.

  9. New process of the preparation of catalyzed gas diffusion electrode for PEM fuel cells based on ultrasonic direct solution spray reaction method

    Energy Technology Data Exchange (ETDEWEB)

    Oishi, K.; Savadogo, O. [Ecole Polytechnique de Montreal, Montreal, PQ (Canada). Laboratoire de nouveaux materiaux pour l' energie et l' electrochimie

    2008-07-01

    This paper reported on a newly developed process for in-situ catalyst deposition on gas diffusion electrodes (GDE) for polymer electrolyte fuel cells. This process has the potential to reduce the number of steps for catalyzed GDE fabrication. In addition, the process offers economic advantages for the fuel cell commercialization. In this study, a home-made catalyst maker with ultrasonic spray method was used to prepare a solution of the carbon supported platinum catalyst on the GDL. The sprayed catalyst powder consisted of carbon support. The catalyst particles did not prevent gas flow channels on the GDL. The catalyst layer was shown to be located only on the top surface of the GDL and was not packed into its flow channel. Results of Cross-section SEM image, crystallization, micro structure and electro-catalytic activity for the oxygen reduction reaction were also discussed. 1 ref., 1 fig.

  10. Gaseous diffusion system

    International Nuclear Information System (INIS)

    Garrett, G.A.; Shacter, J.

    1978-01-01

    A gaseous diffusion system is described comprising a plurality of diffusers connected in cascade to form a series of stages, each of the diffusers having a porous partition dividing it into a high pressure chamber and a low pressure chamber, and means for combining a portion of the enriched gas from a succeeding stage with a portion of the enriched gas from the low pressure chamber of each stage and feeding it into one extremity of the high pressure chamber thereof

  11. Atmospheric-pressure diffuse dielectric barrier discharges in Ar/O2 gas mixture using 200 kHz/13.56 MHz dual frequency excitation

    Science.gov (United States)

    Liu, Y.; Starostin, S. A.; Peeters, F. J. J.; van de Sanden, M. C. M.; de Vries, H. W.

    2018-03-01

    Atmospheric-pressure diffuse dielectric barrier discharges (DBDs) were obtained in Ar/O2 gas mixture using dual-frequency (DF) excitation at 200 kHz low frequency (LF) and 13.56 MHz radio frequency (RF). The excitation dynamics and the plasma generation mechanism were studied by means of electrical characterization and phase resolved optical emission spectroscopy (PROES). The DF excitation results in a time-varying electric field which is determined by the total LF and RF gas voltage and the spatial ion distribution which only responds to the LF component. By tuning the amplitude ratio of the superimposed LF and RF signals, the effect of each frequency component on the DF discharge mechanism was analysed. The LF excitation results in a transient plasma with the formation of an electrode sheath and therefore a pronounced excitation near the substrate. The RF oscillation allows the electron trapping in the gas gap and helps to improve the plasma uniformity by contributing to the pre-ionization and by controlling the discharge development. The possibility of temporally modifying the electric field and thus the plasma generation mechanism in the DF discharge exhibits potential applications in plasma-assisted surface processing and plasma-assisted gas phase chemical conversion.

  12. NMR of lignins

    Science.gov (United States)

    John Ralph; Larry L. Landucci

    2010-01-01

    This chapter will consider the basic aspects and findings of several forms of NMR spectroscopy, including separate discussions of proton, carbon, heteronuclear, and multidimensional NMR. Enhanced focus will be on 13C NMR, because of its qualitative and quantitative importance, followed by NMR’s contributions to our understanding of lignin...

  13. Interplay between steps and nonequilibrium effects in surface diffusion for a lattice-gas model of O/W (110

    Czech Academy of Sciences Publication Activity Database

    Mašín, Martin; Vattulainen, I.; Ala-Nissila, T.; Chvoj, Zdeněk

    2007-01-01

    Roč. 126, č. 11 (2007), 114705/1-114705/8 ISSN 0021-9606 R&D Projects: GA AV ČR IAA1010207 Institutional research plan: CEZ:AV0Z10100521 Keywords : surface diffusion * vicinal surfaces * non-equilibrium effects * Monte-Carlo simulations Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.044, year: 2007

  14. Spatial and Temporal Correlates of Greenhouse Gas Diffusion from a Hydropower Reservoir in the Southern United States

    Directory of Open Access Journals (Sweden)

    Jennifer J. Mosher

    2015-10-01

    Full Text Available Emissions of CO2 and CH4 from freshwater reservoirs constitute a globally significant source of atmospheric greenhouse gases (GHGs, but knowledge gaps remain with regard to spatiotemporal drivers of emissions. We document the spatial and seasonal variation in surface diffusion of CO2 and CH4 from Douglas Lake, a hydropower reservoir in Tennessee, USA. Monthly estimates across 13 reservoir sites from January to November 2010 indicated that surface diffusions ranged from 236 to 18,806 mg·m−2·day−1 for CO2 and 0 to 0.95 mg·m−2·day−1 for CH4. Next, we developed statistical models using spatial and physicochemical variables to predict surface diffusions of CO2 and CH4. Models explained 22.7% and 20.9% of the variation in CO2 and CH4 diffusions respectively, and identified pH, temperature, dissolved oxygen, and Julian day as the most informative predictors. These findings provide baseline estimates of GHG emissions from a reservoir in eastern temperate North America, a region for which estimates of reservoir GHGs emissions are limited. Our statistical models effectively characterized non-linear and threshold relationships between physicochemical predictors and GHG emissions. Further refinement of such modeling approaches will aid in predicting current GHG emissions from unsampled reservoirs and forecasting future GHG emissions.

  15. Introducing new physical synergism effect arise together presence of multi wall carbon nanotube and Vulcan in the micro porous layer of gas diffusion electrode

    Energy Technology Data Exchange (ETDEWEB)

    Abdullah Mirzaie, R. [Shahid Rajaee Univ., Tehran (Iran, Islamic Republic of). Dept. of Chemistry; Gharibi, H. [Tarbiat Modarres Univ., Tehran (Iran, Islamic Republic of); Javaheri, M. [Tarbiat Modarres Univ., Tehran (Iran, Islamic Republic of). Dept. of Chemistry; Asfa, A. [Shahid Rajaee Univ., Tehran (Iran, Islamic Republic of)

    2009-07-01

    This study investigated the influence of multi-wall carbon nanotube (MWCNT) in fuel cell components. In particular, it examined how vulcanization in the microporous layer affects the performance of the gas-diffusion electrode (GDE) for the cathodic oxygen reduction reaction. Different percentages of MWCNT and Vulcan were used in the microporous layer of the GDE. A porosimeter, scanning electron microscope (SEM) and four probe conductometer was used to study the morphological and physical structure of the fabricated microporous layer. Linear sweep voltametry (LSV), electrochemical impedance spectroscopy (EIS), chronoamperometry and SEM techniques were used to study the electrochemical performance of prepared gas diffusion electrodes for oxygen reduction reaction. The results showed that the combination of MWCNT and Vulcan perturb the morphological structure in the microporous layer. The optimized value of MWCNT in the microporous layer varies with different platinum loading in the reaction layer. The optimized values were found to be 60 wt per cent, 80 wt per cent and 40 wt per cent MWCNT at 0.115 mg per cm{sup 2}, 0.5 mg per cm{sup 2} and 1 mg per cm{sup 2} Pt loading respectively.

  16. Direct and inverse neural networks modelling applied to study the influence of the gas diffusion layer properties on PBI-based PEM fuel cells

    Energy Technology Data Exchange (ETDEWEB)

    Lobato, Justo; Canizares, Pablo; Rodrigo, Manuel A.; Linares, Jose J. [Chemical Engineering Department, University of Castilla-La Mancha, Campus Universitario s/n, 13004 Ciudad Real (Spain); Piuleac, Ciprian-George; Curteanu, Silvia [Faculty of Chemical Engineering and Environmental Protection, Department of Chemical Engineering, ' ' Gh. Asachi' ' Technical University Iasi Bd. D. Mangeron, No. 71A, 700050 IASI (Romania)

    2010-08-15

    This article shows the application of a very useful mathematical tool, artificial neural networks, to predict the fuel cells results (the value of the tortuosity and the cell voltage, at a given current density, and therefore, the power) on the basis of several properties that define a Gas Diffusion Layer: Teflon content, air permeability, porosity, mean pore size, hydrophobia level. Four neural networks types (multilayer perceptron, generalized feedforward network, modular neural network, and Jordan-Elman neural network) have been applied, with a good fitting between the predicted and the experimental values in the polarization curves. A simple feedforward neural network with one hidden layer proved to be an accurate model with good generalization capability (error about 1% in the validation phase). A procedure based on inverse neural network modelling was able to determine, with small errors, the initial conditions leading to imposed values for characteristics of the fuel cell. In addition, the use of this tool has been proved to be very attractive in order to predict the cell performance, and more interestingly, the influence of the properties of the gas diffusion layer on the cell performance, allowing possible enhancements of this material by changing some of its properties. (author)

  17. Gas diffusion electrodes for PEM-fuel cells via in situ-electrodeposition; Gasdiffusionselektroden fuer PEM-Brennstoffzellen durch in situ-Elektrodeposition

    Energy Technology Data Exchange (ETDEWEB)

    Keller, Vivien

    2009-03-16

    Commercial available membrane electrode assemblies are still very expensive, since a high noble metal catalyst loading has to be on the gas diffusion electrodes. The reason is particularly the fact that a high amount of the catalyst particles is not located in the so called three phase zone between ion conducting, electron conducting and reactant phase. In the present work the electrochemical synthesis of catalyst layers with a higher catalyst utilization, i. e. with a higher amount of particles located in the three phase zone has succeeded. Thus gas diffusion electrodes comparable in performance with commercial materials but coated with a lower catalyst loading were obtained. A second objective in this work was the development of an electrocombinatoric setup in which both the combinatoric electrosynthesis as well as the combinatoric analysis of platinum and platinum alloys can be performed. Furthermore different alloys were electrodeposited and electrocombinatorically analyzed with respect to their catalytic activity in the electroreduction of oxygen and the electrooxidation of hydrogen, methanol and ethanol. (orig.)

  18. Novel electrospun gas diffusion layers for polymer electrolyte membrane fuel cells: Part II. In operando synchrotron imaging for microscale liquid water transport characterization

    Science.gov (United States)

    Chevalier, S.; Ge, N.; Lee, J.; George, M. G.; Liu, H.; Shrestha, P.; Muirhead, D.; Lavielle, N.; Hatton, B. D.; Bazylak, A.

    2017-06-01

    This is the second paper in a two-part series in which we investigate the impact of the gas diffusion layer structure on the liquid water distribution in an operating polymer electrolyte membrane (PEM) fuel cell through the procedures of design, fabrication, and testing of novel hydrophobic electrospun gas diffusion layers (eGDLs). In this work, fibre diameters and alignment in eGDLs are precisely controlled, and concurrent synchrotron X-ray radiography and electrochemical impedance spectroscopy (EIS) are used to evaluate the influence of the controlled eGDL parameters on the liquid water distribution and on membrane liquid water content. For eGDLs with small fibre diameters (150-200 nm) and correspondingly smaller pore sizes, reduced liquid water accumulation under the flow field ribs is observed. However, more liquid water is pinned onto the eGDL - at the interface with flow field channels. Orienting fibre alignment perpendicular to the flow field channel direction leads to improved eGDL-catalyst layer contact and prevents rib-channel membrane deformation. On the other hand, eGDLs facilitate significant membrane dry-out, even under highly humidified operating conditions at high current densities.

  19. High-Performance Integrated Self-Package Flexible Li-O2Battery Based on Stable Composite Anode and Flexible Gas Diffusion Layer.

    Science.gov (United States)

    Yang, Xiao-Yang; Xu, Ji-Jing; Bao, Di; Chang, Zhi-Wen; Liu, Da-Peng; Zhang, Yu; Zhang, Xin-Bo

    2017-07-01

    With the rising development of flexible and wearable electronics, corresponding flexible energy storage devices with high energy density are required to provide a sustainable energy supply. Theoretically, rechargeable flexible Li-O 2 batteries can provide high specific energy density; however, there are only a few reports on the construction of flexible Li-O 2 batteries. Conventional flexible Li-O 2 batteries possess a loose battery structure, which prevents flexibility and stability. The low mechanical strength of the gas diffusion layer and anode also lead to a flexible Li-O 2 battery with poor mechanical properties. All these attributes limit their practical applications. Herein, the authors develop an integrated flexible Li-O 2 battery based on a high-fatigue-resistance anode and a novel flexible stretchable gas diffusion layer. Owing to the synergistic effect of the stable electrocatalytic activity and hierarchical 3D interconnected network structure of the free-standing cathode, the obtained flexible Li-O 2 batteries exhibit superior electrochemical performance, including a high specific capacity, an excellent rate capability, and exceptional cycle stability. Furthermore, benefitting from the above advantages, the as-fabricated flexible batteries can realize excellent mechanical and electrochemical stability. Even after a thousand cycles of the bending process, the flexible Li-O 2 battery can still possess a stable open-circuit voltage, a high specific capacity, and a durable cycle performance. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  20. AN APPLICATION OF FLOW INJECTION ANALYSIS WITH GAS DIFFUSION AND SPECTROPHOTOMETRIC DETECTION FOR THE MONITORING OF DISSOLVED SULPHIDE CONCENTRATION IN ENVIRONMENTAL SAMPLES

    Directory of Open Access Journals (Sweden)

    Malwina Cykowska

    2014-10-01

    Full Text Available The monitoring of the concentration of sulphide is very important from the environment point of view because of high toxicity of hydrogen sulphide. What is more hydrogen sulphide is an important pollution indicator. In many cases the determination of sulphide is very difficult due to complicated matrix of some environmental samples, which causes that most analytical methods cannot be used. Flow injection analysis allows to avoid matrix problem what makes it suitable for a wide range of applications in analytical laboratories. In this paper determination of dissolved sulphide in environmental samples by gas-diffusion flow injection analysis with spectrophotometric detection was presented. Used gas-diffusion separation ensures the elimination of interferences caused by sample matrix and gives the ability of determination of sulphides in coloured and turbid samples. Studies to optimize the measurement conditions and to determine the value of the validation parameters (e.g. limit of detection, limit of quantification, precision, accuracy were carried out. Obtained results confirm the usefulness of the method for monitoring the concentration of dissolved sulphides in water and waste water. Full automation and work in a closed system greatly reduces time of analysis, minimizes consumption of sample and reagents and increases safety of analyst’s work.

  1. Modeling the Liquid Water Transport in the Gas Diffusion Layer for Polymer Electrolyte Membrane Fuel Cells Using a Water Path Network

    Directory of Open Access Journals (Sweden)

    Dietmar Gerteisen

    2013-09-01

    Full Text Available In order to model the liquid water transport in the porous materials used in polymer electrolyte membrane (PEM fuel cells, the pore network models are often applied. The presented model is a novel approach to further develop these models towards a percolation model that is based on the fiber structure rather than the pore structure. The developed algorithm determines the stable liquid water paths in the gas diffusion layer (GDL structure and the transitions from the paths to the subsequent paths. The obtained water path network represents the basis for the calculation of the percolation process with low calculation efforts. A good agreement with experimental capillary pressure-saturation curves and synchrotron liquid water visualization data from other literature sources is found. The oxygen diffusivity for the GDL with liquid water saturation at breakthrough reveals that the porosity is not a crucial factor for the limiting current density. An algorithm for condensation is included into the model, which shows that condensing water is redirecting the water path in the GDL, leading to an improved oxygen diffusion by a decreased breakthrough pressure and changed saturation distribution at breakthrough.

  2. Multipassage diffuser

    International Nuclear Information System (INIS)

    Lalis, A.; Rouviere, R.; Simon, G.

    1976-01-01

    A multipassage diffuser having 2p passages comprises a leak-tight cylindrical enclosure closed by a top cover and a bottom end-wall, parallel porous tubes which are rigidly assembled in sectors between tube plates and through which the gas mixture flows, the tube sectors being disposed at uniform intervals on the periphery of the enclosure. The top tube plates are rigidly fixed to an annular header having the shape of a half-torus and adapted to communicate with the tubes of the corresponding sector. Each passage is constituted by a plurality of juxtaposed sectors in which the mixture circulates in the same direction, the header being divided into p portions limited by radial partition-walls and each constituting two adjacent passages. The diffuser is provided beneath the bottom end-wall with p-1 leak-tight chambers each adapted to open into two different portions of the header, and with two collector-chambers each fitted with a nozzle for introducing the gas mixture and discharging the fraction of the undiffused mixture. By means of a central orifice formed in the bottom end-wall the enclosure communicates with a shaft for discharging the diffused fraction of the gas mixture

  3. Microfabricated diffusion source

    Science.gov (United States)

    Oborny, Michael C [Albuquerque, NM; Frye-Mason, Gregory C [Cedar Crest, NM; Manginell, Ronald P [Albuquerque, NM

    2008-07-15

    A microfabricated diffusion source to provide for a controlled diffusion rate of a vapor comprises a porous reservoir formed in a substrate that can be filled with a liquid, a headspace cavity for evaporation of the vapor therein, a diffusion channel to provide a controlled diffusion of the vapor, and an outlet to release the vapor into a gas stream. The microfabricated diffusion source can provide a calibration standard for a microanalytical system. The microanalytical system with an integral diffusion source can be fabricated with microelectromechanical systems technologies.

  4. Level of carbon dioxide diffuse degassing from the ground of Vesuvio: comparison between extensive surveys and inferences on the gas source

    Directory of Open Access Journals (Sweden)

    Domenico Granieri

    2013-11-01

    Full Text Available An extensive campaign of diffuse CO2 soil flux was carried out at the cone of Vesuvio in October 2006 with two main objectives: 1 to provide an estimation of CO2 diffusely discharged through the soils in the summit area and 2 to evidence those sectors of the volcano where structural and morphological conditions could favour the gas output. The survey consisted of 502 measurements of soil CO2 flux homogenously distributed over an area of about 1.8 km2. Results of this survey were compared with those obtained during a similar campaign carried out by Frondini et al. in 2000, from which we have taken and reinterpreted a subset of data belonging to the common investigated area. Graphical statistical analysis showed three overlapping populations in both surveys, evidencing the contribution of three different sources feeding the soil CO2 degassing process. The overall CO2 emission pattern of 2006 is coherent with that observed in 2000 and suggests that a value between 120 and 140 t/day of CO2 is representative of the total CO2 discharged by diffuse degassing from the summit area of Vesuvio. The preferential exhaling area lies in the inner crater, whose contribution resulted in 45.3% of the total CO2 emission in 2006 (with 62.8 t/day and in 57.4% (with 70.3 t/day in 2000, although its extension is only 13% of the investigated area. This highly emissive area correlated closely with the structural discontinuities of Vesuvio cone, mainly suggesting that the NW-SE trending tectonic line is actually an active fault leaking deep gas to the bottom of the crater. The drainage action of the fault could be enhanced by the “aspiration” effect of the volcanic conduit.

  5. Optical Transient-Grating Measurements of Spin Diffusion and Relaxation in a Two-Dimensional Electron Gas

    International Nuclear Information System (INIS)

    Weber, Christopher P.

    2005-01-01

    Spin diffusion in n-GaAs quantum wells, as measured by our optical transient-grating technique, is strongly suppressed relative to that of charge. Over a broad range of temperatures and dopings, the suppression of Ds relative to Dc agrees quantitatively with the prediction of ''spin Coulomb dra'' theory, which takes into account the exchange of spin in electron-electron collisions. Moreover, the spin-diffusion length, Ls, is a nearly constant 1 micrometer over the same range of T and n, despite Ds's varying by nearly two orders of magnitude. This constancy supports the D'yakonov-Perel'-Kachorovskii model of spin relaxation through interrupted precessional dephasing in the spin-orbit field

  6. Optical Transient-Grating Measurements of Spin Diffusion andRelaxation in a Two-Dimensional Electron Gas

    Energy Technology Data Exchange (ETDEWEB)

    Weber, Christopher Phillip [Univ. of California, Berkeley, CA (United States)

    2005-01-01

    Spin diffusion in n-GaAs quantum wells, as measured by our optical transient-grating technique, is strongly suppressed relative to that of charge. Over a broad range of temperatures and dopings, the suppression of Ds relative to Dc agrees quantitatively with the prediction of ''spin Coulomb dra'' theory, which takes into account the exchange of spin in electron-electron collisions. Moreover, the spin-diffusion length, Ls, is a nearly constant 1 micrometer over the same range of T and n, despite Ds's varying by nearly two orders of magnitude. This constancy supports the D'yakonov-Perel'-Kachorovskii model of spin relaxation through interrupted precessional dephasing in the spin-orbit field.

  7. Ionization current in N2 gas. Part 7. ; Diffusion and reflection of metastable particles. N2 gas chu ni okeru denri denryu. 7. ; Jun antei reiki ryushi no kakusan to hansha

    Energy Technology Data Exchange (ETDEWEB)

    Suzuki, S.; Ito, H.; Sekizawa, H. (Chiba Inst. of Technology, Chiba (Japan)); Ikuta, N. (Tokushima Univ., Tokushima (Japan))

    1993-06-20

    The energy loss process in quenching of excited particles by collision to other ones and solid surfaces was investigated with metastable excited particles formed in weakly ionized gases. The measured lifetime of N2 metastable particles in N2, N2/CO, N2/CH3 gases during Townsent discharge did not agree with the Molnar's theoretical value which was obtained by solving diffusion equations using the boundary condition that assumes the density of excited particles to be zero at electrodes and tube walls. Strange behavior was observed too, that is, coefficients of diffusion and reaction rate determined by the theoretical lifetime change systematically with the distance between electrodes. Then, the novel boundary condition that takes reflection coefficient into account was applied to solve diffusion equations. The results obtained could account for experimental results without any discrepancy. The analysis of results clarified the dependence of various parameters of metastable excited particles on the reflection coefficient. The increase of reflection coefficient decreases the surface quenching of excited particles at electrodes and elongs effectively excited lifetime and increases the number of collisional quenching in gas phases. 16 refs., 8 figs.

  8. Two-region, combined Archie’s Law and Reference-Point model for air permeability and gas diffusivity in variably-saturated soil

    DEFF Research Database (Denmark)

    Hamamoto, S; Møldrup, Per; Kawamoto, K

    2011-01-01

    and n2 values of 4/3 for ka and 7/3 for Dp described the data well. Two reference-point expressions for ka at pF 2 were also developed and tested together with existing models for Dp at pF 2 against independent data across soil types. The best-performing reference-point models were a ka model based......The air permeability (ka) and soil gas diffusion coefficients (Dp) are controlling factors for gas transport and fate in variably saturated soils. We developed a unified model for ka and Dp based on the classical Archie's law, extended by: (i) allowing for two-region gas transport behavior...... threshold, set as 10% of the total porosity for structureless porous media or 10% of the porosity in the large-pore region for structured soils. The resulting extended Archie's law with reference point (EXAR) models for ka and Dp were fitted to the measured data. For both structureless and structured porous...

  9. The Carrier Gas Pressure Effect in a Laminar Flow Diffusion Chamber, Homogeneous Nucleation of n-Butanol in Helium

    Czech Academy of Sciences Publication Activity Database

    Hyvärinen, A-P.; Brus, David; Ždímal, Vladimír; Smolík, Jiří; Kulmala, M.; Viisanen, V.; Lihavainen, H.

    2006-01-01

    Roč. 124, č. 22 (2006), Art. No. 224304 ISSN 0021-9606 R&D Projects: GA AV ČR(CZ) IAA2076203 Institutional research plan: CEZ:AV0Z40720504 Keywords : supersaturated vapor * cloud chamber * background gas es Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.166, year: 2006

  10. Submergence-induced morphological, anatomical and biochemical responses in a terrestrial species affect gas diffusion resistance and photosynthetic performance

    NARCIS (Netherlands)

    Mommer, L.; Pons, T.L.; Wolters-Arts, M.; Venema, J.H.; Visser, E.J.W.

    2005-01-01

    Gas exchange between the plant and the environment is severely hampered when plants are submerged, leading to oxygen and energy deficits. A straightforward way to reduce these shortages of oxygen and carbohydrates would be continued photosynthesis under water, but this possibility has received only

  11. Submergence-induced morphological, anatomical, and biochemical responses in a terrestrial species affect gas diffusion resistance and photosynthetic performance

    NARCIS (Netherlands)

    Mommer, L; Pons, TL; Wolters-Arts, M; Venema, JH; Visser, EJW

    Gas exchange between the plant and the environment is severely hampered when plants are submerged, leading to oxygen and energy deficits. A straightforward way to reduce these shortages of oxygen and carbohydrates would be continued photosynthesis under water, but this possibility has received only

  12. Mass transfer with complex chemical reaction in gas-liquid systems - I. Consecutive reversible reactions with equal diffusivities

    NARCIS (Netherlands)

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

    1999-01-01

    A fundamental description of gas¿liquid mass transfer with reversible consecutive reaction has been derived. The Higbie penetration theory has been used and numerical simulations were carried out for isothermal absorption. Although the model can be adapted to reactions of general stoichiometric and

  13. NMR-spectroscopy

    International Nuclear Information System (INIS)

    Lundin, A.G.; Fedin, Eh.I.

    1986-01-01

    Physical foundations are given and the most important areas of nuclear magnetic resonance (NMR) application in physics, chemistry, biology are described. A detailed review of the investigations conducted and the NMR applications in different science and technology fields is presented. The method basic experimental variants, including such new ones as high resolution in a solid body; rare isotope resonance; two-dimensional and multi-quantum fourier-spectroscopy; large molecule NMR; NMR tomography and NMR intrascopy etc. are considered. The instruments are briefly described. NMR is characterized as one of the most important investigation methods of the material composition, its molecular and crystal structure, visualization of the living organism and nonmetallic object inner structure

  14. SDSS IV MaNGA: Deep observations of extra-planar, diffuse ionized gas around late-type galaxies from stacked IFU spectra

    Science.gov (United States)

    Jones, A.; Kauffmann, G.; D'Souza, R.; Bizyaev, D.; Law, D.; Haffner, L.; Bahé, Y.; Andrews, B.; Bershady, M.; Brownstein, J.; Bundy, K.; Cherinka, B.; Diamond-Stanic, A.; Drory, N.; Riffel, R. A.; Sánchez, S. F.; Thomas, D.; Wake, D.; Yan, R.; Zhang, K.

    2017-03-01

    We have conducted a study of extra-planar diffuse ionized gas using the first year data from the MaNGA IFU survey. We have stacked spectra from 49 edge-on, late-type galaxies as a function of distance from the midplane of the galaxy. With this technique we can detect the bright emission lines Hα, Hβ, [O II]λλ3726, 3729, [O III]λ5007, [N II]λλ6549, 6584, and [S II]λλ6717, 6731 out to about 4 kpc above the midplane. With 16 galaxies we can extend this analysis out to about 9 kpc, I.e. a distance of 2Re, vertically from the midplane. In the halo, the surface brightnesses of the [O II] and Hα emission lines are comparable, unlike in the disk where Hα dominates. When we split the sample by specific star-formation rate, concentration index, and stellar mass, each subsample's emission line surface brightness profiles and ratios differ, indicating that extra-planar gas properties can vary. The emission line surface brightnesses of the gas around high specific star-formation rate galaxies are higher at all distances, and the line ratios are closer to ratios characteristic of H II regions compared with low specific star-formation rate galaxies. The less concentrated and lower stellar mass samples exhibit line ratios that are more like H II regions at larger distances than their more concentrated and higher stellar mass counterparts. The largest difference between different subsamples occurs when the galaxies are split by stellar mass. We additionally infer that gas far from the midplane in more massive galaxies has the highest temperatures and steepest radial temperature gradients based on their [N II]/Hα and [O II]/Hα ratios between the disk and the halo. SDSS IV.

  15. Gas sensing properties and in situ diffuse reflectance infrared Fourier transform spectroscopy study of trichloroethylene adsorption and reactions on SnO2 films

    Science.gov (United States)

    Zhang, Zhenxin; Huang, Kaijin; Yuan, Fangli; Xie, Changsheng

    2014-05-01

    The detection of trichloroethylene has attracted much attention because it has an important effect on human health. The sensitivity of the SnO2 flat-type coplanar gas sensor arrays to 100 ppm trichloroethylene in air was investigated. The adsorption and surface reactions of trichloroethylene were investigated at 100-200 °C by in-situ diffuse reflection Fourier transform infrared spectroscopy (DIRFTS) on SnO2 films. Molecularly adsorbed trichloroethylene, dichloroacetyl chloride (DCAC), phosgene, HCl, CO, H2O, CHCl3, Cl2 and CO2 surface species are formed during trichloroethylene adsorption at 100-200 °C. A possible mechanism of the reaction process is discussed.

  16. Selective capillary diffusion of equimolar H2/D2 gas mixtures through etched ion track membranes prepared from polyethylene terephthalate and polyimide

    International Nuclear Information System (INIS)

    Schmidt, K.; Angert, N.; Trautmann, C.

    1996-01-01

    The selective capillary diffusion of equimolar H 2 /D 2 gas mixtures through ion track membranes prepared from polyethylene terephthalate and polyimide was investigated at a temperature of 293 K, a primary pressure of 0.15 MPa and a secondary pressure of 10 -4 MPa. Different values of the separation factor Z(H 2 /D 2 ) between experiment and computer simulation exists in the case of polyethylene terephthalate ion track membranes because of multiple pores. Membranes for which multiple pores were reduced by varying the irradiation angle showed an increased separation factor. The separation factor is a function of the pore diameter. This is shown for polyimide ion track membranes with a pore size in the range of 0.17 and 0.5 μm. After grafting with styrene the separation factor increased, indicating grafting within the pores. (orig.)

  17. Development and Characterization of Gas Diffusion Layer Using Carbon Slurry Dispersed by Ammonium Lauryl Sulfate for Proton Exchange Member Fuel Cells

    Science.gov (United States)

    Villacorta, Rashida

    Gas diffusion layers (GDLs) are a critical and essential part of proton exchange membrane fuel cells (PEMFCs). They carry out various important functions such as transportation of reactants to and from the reaction sites. The material properties and structural characteristics of the substrate and the microporous layer strongly influence fuel cell performance. The microporous layer of the GDLs was fabricated with the carbon slurry dispersed in water containing ammonium lauryl sulfate (ALS) using the wire rod coating method. GDLs were fabricated with different materials to compose the microporous layer and evaluated the effects on PEMFC power output performance. The consistency of the carbon slurry was achieved by adding 25 wt. % of PTFE, a binding agent with a 75:25 ratio of carbon (Pureblack and vapor grown carbon fiber). The GDLs were investigated in PEMFC under various relative humidity (RH) conditions using H2/O2 and H2/Air. GDLs were also fabricated with the carbon slurry dispersed in water containing sodium dodecyl sulfate (SDS) and multiwalled carbon nanotubes (MWCNTs) with isopropyl alcohol (IPA) based for fuel cell performance comparison. MWCNTs and SDS exhibits the highest performance at 60% and 70% RH with a peak power density of 1100 mW.cm-2 and 850 mW.cm-2 using air and oxygen as an oxidant. This means that the gas diffusion characteristics of these two samples were optimum at 60 and 70 % RH with high limiting current density range. It was also found that the composition of the carbon slurry, specifically ALS concentration has the highest peak power density of 1300 and 500mW.cm-2 for both H2/O 2 and H2/Air at 100% RH. However, SDS and MWCNTs demonstrates the lowest power density using air and oxygen as an oxidants at 100% RH.

  18. Novel thin/tunable gas diffusion electrodes with ultra-low catalyst loading for hydrogen evolution reactions in proton exchange membrane electrolyzer cells

    Energy Technology Data Exchange (ETDEWEB)

    Kang, Zhenye; Yang, Gaoqiang; Mo, Jingke; Li, Yifan; Yu, Shule; Cullen, David A.; Retterer, Scott T.; Toops, Todd J.; Bender, Guido; Pivovar, Bryan S.; Green, Johney B.; Zhang, Feng-Yuan

    2018-05-01

    Proton exchange membrane electrolyzer cells (PEMECs) have received great attention for hydrogen/oxygen production due to their high efficiencies even at low-temperature operation. Because of the high cost of noble platinum-group metal (PGM) catalysts (Ir, Ru, Pt, etc.) that are widely used in water splitting, a PEMEC with low catalyst loadings and high catalyst utilizations is strongly desired for its wide commercialization. In this study, the ultrafast and multiscale hydrogen evolution reaction (HER) phenomena in an operating PEMEC is in-situ observed for the first time. The visualization results reveal that the HER and hydrogen bubble nucleation mainly occur on catalyst layers at the rim of the pores of the thin/tunable liquid/gas diffusion layers (TT-LGDLs). This indicates that the catalyst material of the conventional catalyst-coated membrane (CCM) that is located in the middle area of the LGDL pore is underutilized/inactive. Based on this discovery, a novel thin and tunable gas diffusion electrode (GDE) with a Pt catalyst thickness of 15 nm and a total thickness of about 25 um has been proposed and developed by taking advantage of advanced micro/nano manufacturing. The novel thin GDEs are comprehensively characterized both ex-situ and in-situ, and exhibit excellent PEMEC performance. More importantly, they achieve catalyst mass activity of up to 58 times higher than conventional CCM at 1.6 V under the operating conditions of 80 degrees C and 1 atm. This study demonstrates a promising concept for PEMEC electrode development, and provides a direction of future catalyst designs and fabrications for electrochemical devices.

  19. Modeling dendrite density from magnetic resonance diffusion measurements

    DEFF Research Database (Denmark)

    Jespersen, Sune Nørhøj; Kroenke, CD; Østergaard, Leif

    2007-01-01

    Diffusion-weighted imaging (DWI) provides a noninvasive tool to probe tissue microstructure. We propose a simplified model of neural cytoarchitecture intended to capture the essential features important for water diffusion as measured by NMR. Two components contribute to the NMR signal in this mo......Diffusion-weighted imaging (DWI) provides a noninvasive tool to probe tissue microstructure. We propose a simplified model of neural cytoarchitecture intended to capture the essential features important for water diffusion as measured by NMR. Two components contribute to the NMR signal...... in this model: (i) the dendrites and axons, which are modeled as long cylinders with two diffusion coefficients, parallel (DL) and perpendicular (DT) to the cylindrical axis, and (ii) an isotropic monoexponential diffusion component describing water diffusion within and across all other structures, i...

  20. Flow NMR of polymers in external fields

    Energy Technology Data Exchange (ETDEWEB)

    Boehme, Ute; Bagusat, Frank; Scheler, Ulrich [Leibniz Institute of Polymer Research Dresden (Germany)

    2008-07-01

    Pulsed-field gradient NMR is applied to study the motion of polymers in an external electric field and under mechanical shear. The application of an electric field drives motion of charged species. In conjunction with the diffusion coefficient from the electrophoretic mobility the effective charge per molecule is derived. The electric field applicable in the aqueous system is too weak to deform the polymer or even abstract counterions. In a shear flow established in a Couette cell partial orientation of polymer chains is measured via residual dipolar couplings. The entire flow field in a non-symmetric flow cell is monitored by a combination of PFG NMR and NMR imaging exhibiting regions of high shear and locally low shear, where polymers relax.

  1. Sorbent-coated diffusion denuders for direct measurement of gas/particle partitioning by semi-volatile organic compounds

    Energy Technology Data Exchange (ETDEWEB)

    Gundel, L.A. [Lawrence Berkeley National Lab., CA (United States); Lane, D.A. [Atmospheric Environment Service, North York, Ontario (Canada)

    1998-01-01

    Sorbent-coated annular denuder-based samplers have been developed for direct determination of both gaseous and particulate semi-volatile organic species. The first such sampler, the Integrated Organic Vapor/Particle Sampler, has been validated for sampling semi-volatile PAH in ambient air and environmental tobacco smoke. Multi-channel versions of the IOVPS have been used successfully for investigation of gas/particle partitioning of a variety of semi-volatile organic species in combustion source-enriched environmental chambers. Subsequent improvements have resulted in two new higher-capacity samplers, the IOGAPS and the jumbo-IOGAPS, that use the same sorbent for sampling trace organics in the ambient atmosphere for 24--48 hr periods over a wide temperature range. Construction of these new samplers began by incorporating the IOVPS coating technology onto the gas collection surfaces of the higher capacity GAP sampler. Substantial design effort aims to ensure that vapor phase components as volatile as naphthalene can be trapped efficiently and retained by the sorbent-coated surface while the particles pass through to the filter.

  2. Theoretical reconsiderations when estimating the mesophyll conductance to CO(2) diffusion in leaves of C(3) plants by analysis of combined gas exchange and chlorophyll fluorescence measurements.

    Science.gov (United States)

    Yin, Xinyou; Struik, Paul C

    2009-11-01

    Existing methods to estimate the mesophyll conductance to CO(2) diffusion (g(m)) are often based on combined gas exchange and chlorophyll fluorescence measurements. However, estimations of average g(m) by these methods are often unreliable either because the range of usable data is too narrow or because the estimations are very sensitive to measurement errors. We describe three method variants to estimate g(m), for which a wider range of data are usable. They use curve-fitting techniques, which minimise the sum of squared model deviations from the data for A (CO(2) assimilation rate) or for J (linear electron transport rate). Like the existing approaches, they are all based on common physiological principles assuming that electron transport limits A. The proposed variants were far less sensitive than the existing approaches to 'measurement noise' either created randomly in the generated data set or inevitably existing in real data sets. Yet, the estimates of g(m) from the three variants differed by approximately 15%. Moreover, for each variant, a stoichiometric uncertainty in linear electron transport-limited photosynthesis can cause another 15% difference. Any estimation of g(m) using gas exchange and chlorophyll fluorescence measurements should be considered with caution, especially when g(m) is high.

  3. Ethylene/ethane permeation, diffusion and gas sorption properties of carbon molecular sieve membranes derived from the prototype ladder polymer of intrinsic microporosity (PIM-1)

    KAUST Repository

    Salinas, Octavio

    2016-01-05

    Fine-tuning the microporosity of PIM-1 by heat treatment was applied to develop a suitable carbon molecular sieve membrane for ethylene/ethane separation. Pristine PIM-1 films were heated from 400 to 800 °C under inert N2 atmosphere (< 2 ppm O2). At 400 °C, PIM-1 self-cross-linked and developed polar carbonyl and hydroxyl groups due to partial dioxane splitting in the polymer backbone. Significant degradation occurred at 600 °C due to carbonization of PIM-1 and resulted in 30% increase in cumulative surface area compared to its cross-linked predecessor. In addition, PIM-1-based CMS developed smaller ultramicropores with increasing pyrolysis temperature, which enhanced their molecular sieving capability by restricted diffusion of ethylene and ethane through the matrix due to microstructural carbon densification. Consequently, the pure-gas ethylene permeability (measured at 35 °C and 2 bar) decreased from 1600 Barrer for the pristine PIM-1 to 1.3 Barrer for the amorphous carbon generated at 800 °C, whereas the ethylene/ethane pure-gas selectivity increased significantly from 1.8 to 13.

  4. Preparation of gas diffusion layers for PEMFC fuel cells using carbon fibers; Elaboracao de uma camada de difusao de gas a partir de fibras de carbono para aplicacao em celulas combustiveis do tipo PEMFC

    Energy Technology Data Exchange (ETDEWEB)

    Santos, J.N.; Kunsti, S.R.; Malfatti, C.F. [Universidade Federal do Rio Grande do Sul - Departamento de Metalurgia (PPGEM) - Laboratorio de Pesquisa em Corrosao (LAPEC), Porto Alegre, RS (Brazil); Vargas, J.V.C. [Universidade Federal do Parana - Departamento de Engenharia Mecanica, PR (Brazil); Amico, S.C. [Universidade Federal do Rio Grande do Sul - Departamento de Materiais, RS (Brazil)

    2010-07-01

    The electrode/membrane system, called MEA, is the fundamental unit of a PEMFC (proton exchange membrane fuel cell). Within the MEA, the gas diffusion layer (GDL) is the bridge between the flow field and the catalyst layer. One of the important elements in a GDL is the substrate, typically a carbon cloth or paper, that has to be an excellent electrical conductor and show mechanical strength along with thermal and chemical stability. In this work, GDLs were produced from a suspension containing short carbon fibers in water-based polyurethane and poly(vinyl alcohol) (PVA) resins with appropriate characteristics to be used in low temperature fuel cells. The obtained GDL was characterized regarding its wettability, electrical conductivity and morphological aspects, evaluated by SEM. (author)

  5. Nuclear magnetic resonance (NMR): principles and applications

    International Nuclear Information System (INIS)

    Quibilan, E.I.

    The basis for the phenomenon of nuclear magnetic resonance (NMR) is the ability of certain nuclei possessing both intrinsic angular momentum or ''spin'' I and magnetic moment to absorb electromagnetic energy in the radio frequency range. In principle, there are approximately 200 nuclei which may be investigated using the NMR technique. The NMR spectrum consists of intensity peaks along an axis calibrated in terms of the steady magnetic field or the frequency of the radiofrequency electromagnetic radiation. Analysis of the number, spacing, position and intensity of the lines in an NMR spectrum consists of intensity peaks along an axis calibrated in terms of the steady magnetic field or the frequency of the radiofrequency electromagnetic radiation. Analysis of the number, spacing, position and intensity of the lines in an NMR spectrum provides a variety of qualitative and quantitative analytical applications. The most obvious applications consist of the measurements of nuclear properties, such as spin number and nuclear magnetic moment. In liquids, the fine structure of resonance spectra provides a tool for chemical identification and molecular structure analysis. Other applications include the measurements of self-diffusion coefficients, magnetic fields and field homogeneity, inter-nuclear distances, and, in some cases, the water content of biological materials. (author)

  6. Low cost fuel cell diffusion layer configured for optimized anode water management

    Science.gov (United States)

    Owejan, Jon P; Nicotera, Paul D; Mench, Matthew M; Evans, Robert E

    2013-08-27

    A fuel cell comprises a cathode gas diffusion layer, a cathode catalyst layer, an anode gas diffusion layer, an anode catalyst layer and an electrolyte. The diffusion resistance of the anode gas diffusion layer when operated with anode fuel is higher than the diffusion resistance of the cathode gas diffusion layer. The anode gas diffusion layer may comprise filler particles having in-plane platelet geometries and be made of lower cost materials and manufacturing processes than currently available commercial carbon fiber substrates. The diffusion resistance difference between the anode gas diffusion layer and the cathode gas diffusion layer may allow for passive water balance control.

  7. Flow injection analysis of ethyl xanthate by gas diffusion and UV detection as CS2 for process monitoring of sulfide ore flotation.

    Science.gov (United States)

    Cordeiro, Thiago G; Hidalgo, Pilar; Gutz, Ivano G R; Pedrotti, Jairo J

    2010-07-15

    A sensitive and robust analytical method for spectrophotometric determination of ethyl xanthate, CH(3)CH(2)OCS(2)(-) at trace concentrations in pulp solutions from froth flotation process is proposed. The analytical method is based on the decomposition of ethyl xanthate, EtX(-), with 2.0 mol L(-1) HCl generating ethanol and carbon disulfide, CS(2). A gas diffusion cell assures that only the volatile compounds diffuse through a PTFE membrane towards an acceptor stream of deionized water, thus avoiding the interferences of non-volatile compounds and suspended particles. The CS(2) is selectively detected by UV absorbance at 206 nm (epsilon=65,000 L mol(-1) cm(-1)). The measured absorbance is directly proportional to EtX(-) concentration present in the sample solutions. The Beer's law is obeyed in a 1x10(-6) to 2x10(-4) mol L(-1) concentration range of ethyl xanthate in the pulp with an excellent correlation coefficient (r=0.999) and a detection limit of 3.1x10(-7) mol L(-1), corresponding to 38 microg L(-1). At flow rates of 200 microL min(-1) of the donor stream and 100 microL min(-1) of the acceptor channel a sampling rate of 15 injections per hour could be achieved with RSDapplications demonstrate the versatility of the FIA method: (i) evaluation the free EtX(-) concentration during a laboratory study of the EtX(-) adsorption capacity on pulverized sulfide ore (pyrite) and (ii) monitoring of EtX(-) at different stages (from starting load to washing effluents) of a flotation pilot plant processing a Cu-Zn sulfide ore. Copyright 2010 Elsevier B.V. All rights reserved.

  8. Low-Profile Diffuser

    Science.gov (United States)

    Martin, Michael A.; Nettles, Mindy

    2015-01-01

    The propellant tanks used in liquid rockets require pressurization gases in order to maintain tank pressure while the tanks are being drained during engine operation. The pressurization gas, which is typically much warmer than the relatively cold propellants in the tank, must be introduced into the empty ullage space at the top of the tank. The purpose of the diffuser is to control the flow of the gas into the tank in order to prevent direct impingement of the gas on the liquid surface and/or the tank walls. If the diffuser did not perform those tasks, the warm gas can create excess heat transfer causing an increase in the amount of pressurization mass required. Typical diffusers are long vertical cylinders that create a large exit area in order to minimize gas velocities. However, long vertical cylinders limit the amount of liquid that can be loaded into the tank in order not to have the liquid surface near the diffuser. A design goal for a pressurization diffuser is to create uniform flow in order to prevent jets that can impact the liquid surface and/or tank walls. The purpose of the task was to create a diffuser design that had a lower vertical profile (in order to be able to raise the liquid surface) while still maintaining uniform flow.

  9. Experimental study on the membrane electrode assembly of a proton exchange membrane fuel cell: effects of microporous layer, membrane thickness and gas diffusion layer hydrophobic treatment

    International Nuclear Information System (INIS)

    Ferreira, Rui B.; Falcão, D.S.; Oliveira, V.B.; Pinto, A.M.F.R.

    2017-01-01

    Highlights: • EIS is employed to investigate the MEA design of a PEM fuel cell. • Effects of MPL, membrane thickness and GDL hydrophobic treatment are studied. • MPL increases cell output at low to medium currents but reduces it at high currents. • Better results are obtained when employing a thinner Nafion membrane. • GDL hydrophobic treatment improves the cell performance. - Abstract: In this study, electrochemical impedance spectroscopy (EIS) is employed to analyze the influence of microporous layer (MPL), membrane thickness and gas diffusion layer (GDL) hydrophobic treatment in the performance of a proton exchange membrane (PEM) fuel cell. Results show that adding a MPL increases cell performance at low to medium current densities. Because lower ohmic losses are observed when applying a MPL, such improvement is attributed to a better hydration state of the membrane. The MPL creates a pressure barrier for water produced at the cathode, forcing it to travel to the anode side, therefore increasing the water content in the membrane. However, at high currents, this same phenomenon seems to have intensified liquid water flooding in the anode gas channels, increasing mass transfer losses and reducing the cell performance. Decreasing membrane thickness results into considerably higher performances, due to a decrease in ohmic resistance. Moreover, at low air humidity operation, a rapid recovery from dehydration is observed when a thinner membrane is employed. The GDL hydrophobic treatment significantly improves the cell performance. Untreated GDLs appear to act as water-traps that not only hamper reactants transport to the reactive sites but also impede the proper humidification of the cell. From the different designs tested, the highest maximum power density is obtained from that containing a MPL, a thinner membrane and treated GDLs.

  10. Integration of screening and identifying ligand(s) from medicinal plant extracts based on target recognition by using NMR spectroscopy

    OpenAIRE

    sprotocols

    2015-01-01

    Authors: Yalin Tang, Qian Shang, Junfeng Xiang, Qianfan Yang, Qiuju Zhou, Lin Li, Hong Zhang, Qian Li, Hongxia Sun, Aijiao Guan, Wei Jiang & Wei Gai ### Abstract This protocol presents the screening of ligand(s) from medicinal plant extracts based on target recognition by using NMR spectroscopy. A detailed description of sample preparation and analysis process is provided. NMR spectroscopies described here are 1H NMR, diffusion-ordered spectroscopy (DOSY), relaxation-edited NMR, 1H–1...

  11. Functional studies using NMR

    International Nuclear Information System (INIS)

    McCready, V.R.; Leach, M.O.; Sutton; Ell, P.

    1986-01-01

    The object of this book is to discuss and evaluate an area of Nuclear Magnetic Resonance which to date has been less emphasized than it might be, namely the use of NMR for functional studies. The book commences with a discussion of the areas in which the NMR techniques might be needed due to deficiencies in other techniques. The physics of NMR especially relating to functional measurement are then explained. Technical factors in producing functional images are discussed and the use of paramagnetic substances for carrying out flow studies are detailed. Particular attention is paid to specific studies in the various organs. The book ends with a survey of imaging in each organ and the relation of NMR images to other techniques such as ultrasound, nuclear medicine and X-rays

  12. Functional studies using NMR

    International Nuclear Information System (INIS)

    McCready, V.R.; Leach, M.; Ell, P.J.

    1987-01-01

    This volume is based on a series of lectures delivered at a one-day teaching symposium on functional and metabolic aspects of NMR measurements held at the Middlesex Hospital Medical School on 1st September 1985 as a part of the European Nuclear Medicine Society Congress. Currently the major emphasis in medical NMR in vivo is on its potential to image and display abnormalities in conventional radiological images, providing increased contrast between normal and abnormal tissue, improved definition of vasculature, and possibly an increased potential for differential diagnosis. Although these areas are undeniably of major importance, it is probable that NMR will continue to complement conventional measurement methods. The major potential benefits to be derived from in vivo NMR measurements are likely to arise from its use as an instrument for functional and metabolic studies in both clinical research and in the everyday management of patients. It is to this area that this volume is directed

  13. Recent progress in NMR microscopy towards cellular imaging

    International Nuclear Information System (INIS)

    Cho, Z.H.; Ahn, C.B.; Juh, S.C.; Friedenberg, R.M.; Fraser, S.E.; Jacobs, R.E.

    1990-01-01

    Recent advances in NMR microscopy based on fundamental physical parameters and experimental factors are discussed. We consider fundamental resolution limits due to molecular diffusion and the experimental system bandwidth, as well as practical resolution limits arising from poor signal-to-noise ratio due to small imaging voxel size and finite line broadening due to signal attenuation brought about by diffusion. Several microscopic imaging pulse sequences are presented and applied to elucidating cellular imaging problems such as the cell lineage patterns in Xenopus laevis embryos. Experimental results obtained with 7.0 T NMR microscopy system are presented. (author)

  14. A novel approach to determine the in-plane thermal conductivity of gas diffusion layers in proton exchange membrane fuel cells

    Science.gov (United States)

    Sadeghi, E.; Djilali, N.; Bahrami, M.

    Heat transfer through the gas diffusion layer (GDL) is a key process in the design and operation of a proton exchange membrane (PEM) fuel cell. The analysis of this process requires determination of the effective thermal conductivity. This transport property differs significantly in the through-plane and in-plane directions due to the anisotropic micro-structure of the GDL. A novel test bed that allows separation of in-plane effective thermal conductivity and thermal contact resistance in GDLs is described in this paper. Measurements are performed using Toray carbon paper TGP-H-120 samples with varying polytetrafluoroethylene (PTFE) content at a mean temperature of 65-70 °C. The measurements are complemented by a compact analytical model that achieves good agreement with experimental data. The in-plane effective thermal conductivity is found to remain approximately constant, k ≈ 17.5 W m -1 K -1, over a wide range of PTFE content, and its value is about 12 times higher than that for through-plane conductivity.

  15. Highly conformal SiO2/Al2O3 nanolaminate gas-diffusion barriers for large-area flexible electronics applications

    International Nuclear Information System (INIS)

    Choi, Jin-Hwan; Kim, Young-Min; Park, Young-Wook; Park, Tae-Hyun; Jeong, Jin-Wook; Choi, Hyun-Ju; Song, Eun-Ho; Ju, Byeong-Kwon; Lee, Jin-Woo; Kim, Cheol-Ho

    2010-01-01

    The present study demonstrates a flexible gas-diffusion barrier film, containing an SiO 2 /Al 2 O 3 nanolaminate on a plastic substrate. Highly uniform and conformal coatings can be made by alternating the exposure of a flexible polyethersulfone surface to vapors of SiO 2 and Al 2 O 3 , at nanoscale thickness cycles via RF-magnetron sputtering deposition. The calcium degradation test indicates that 24 cycles of a 10/10 nm inorganic bilayer, top-coated by UV-cured resin, greatly enhance the barrier performance, with a permeation rate of 3.79 x 10 -5 g m -2 day -1 based on the change in the ohmic behavior of the calcium sensor at 20 deg. C and 50% relative humidity. Also, the permeation rate for 30 cycles of an 8/8 nm inorganic bilayer coated with UV resin was beyond the limited measurable range of the Ca test at 60 deg. C and 95% relative humidity. It has been found that such laminate films can effectively suppress the void defects of a single inorganic layer, and are significantly less sensitive against moisture permeation. This nanostructure, fabricated by an RF-sputtering process at room temperature, is verified as being useful for highly water-sensitive organic electronics fabricated on plastic substrates.

  16. Use of Electrochemical Impedance Spectroscopy for the Evaluation of Performance of PEM Fuel Cells Based on Carbon Cloth Gas Diffusion Electrodes

    Directory of Open Access Journals (Sweden)

    Saverio Latorrata

    2018-01-01

    Full Text Available Polymer electrolyte membrane fuel cells (PEMFCs have attracted great attention in the last two decades as valuable alternative energy generators because of their high efficiencies and low or null pollutant emissions. In the present work, two gas diffusion electrodes (GDEs for PEMFCs were prepared by using an ink containing carbon-supported platinum in the catalytic phase which was sprayed onto a carbon cloth substrate. Two aerograph nozzles, with different sizes, were used. The prepared GDEs were assembled into a fuel cell lab prototype with commercial electrolyte and bipolar plates and tested alternately as anode and cathode. Polarization measurements and electrochemical impedance spectroscopy (EIS were performed on the running hydrogen-fed PEMFC from open circuit voltage to high current density. Experimental impedance spectra were fitted with an equivalent circuit model by using ZView software which allowed to get crucial parameters for the evaluation of fuel cell performance, such as ohmic resistance, charge transfer, and mass transfer resistance, whose trends have been studied as a function of the applied current density.

  17. Study of the aerosol fragrances of eugenol derivatives in Cananga odorata using diffuse reflectance infrared Fourier transform spectroscopy and gas chromatography.

    Science.gov (United States)

    Kuo, Su-Ching; Chuang, Shien-Kai; Lin, Ho-Yang; Wang, Lai-Hao

    2009-10-19

    The purpose of this study was to develop and test a diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) method, a fast and non-destructive method without extraction, and compare it with the standard gas chromatography (GC) method currently used. A micro-orifice uniform deposit impactor (MOUDI) was used to sample all the size distributions of the aerosol particles of essential oils to investigate the relation between size distributions and the indoor concentration distributions of ylang essential oils. Correlation coefficients for DRIFTS and GC were 0.9904, 0.9910, 0.9913, and 0.9983 for eugenol, isoeugenol, methyl ether, and eugenyl acetate, respectively. The results showed that the concentrations of the four eugenol derivatives of smoke were approximately three times higher than those of mist. Additionally, the major size distributions of aerosol were 0.19 microm and 1.8 microm for the smoke and mist methods, respectively. Because these two methods produce similar results, DRIFTS is a practical method for assessing these fragrances in aerosols.

  18. Effect of weave tightness and structure on the in-plane and through-plane air permeability of woven carbon fibers for gas diffusion layers

    Energy Technology Data Exchange (ETDEWEB)

    Caston, Terry B.; Murphy, Andrew R.; Harris, Tequila A.L. [Department of Mechanical Engineering, Georgia Institute of Technology, Atlanta, GA (United States)

    2011-01-15

    In this study, woven gas diffusion layers (GDLs) with varying weave type and tightness are investigated. Plain and twill weave patterns were manufactured in-house. The in-plane and through-plane air permeability of the woven samples were tested, and mercury intrusion porosimetry (MIP) tests were performed to study the pore structure. It was found that the twill weave has a higher permeability than the plain weave, which is consistent with literature. Like non-woven carbon papers, woven GDLs have higher in-plane permeability than through-plane permeability; however it has been shown that it is possible to manufacture a GDL with higher through-plane permeability than in-plane permeability. It was also concluded that the percentage of macropores in the weave is the driving factor in determining the through-plane air permeability. This work lays the groundwork for future studies to attempt to characterize the relationship between the weave structure and the air permeability in woven GDLs. (author)

  19. Observation of nuclear spin waves in spin-polarized atomic hydrogen gas

    Energy Technology Data Exchange (ETDEWEB)

    Johson, B.R.; Denker, J.S.; Bigelow, N.; Levy, L.P.; Freed, J.H.; Lee, D.M.

    1984-04-23

    We have observed narrow, distinct resonances in the NMR spectrum of dilute spin-polarized atomic hydrogen gas (nroughly-equal10/sup 16/ atoms/cm/sup 3/). The dependence of the observed spectra on temperature, density, polarization, and magnetic field gradient is consistent with theoretical predictions for spin-wave excitations damped by diffusion. We have measured the parameter ..mu.., which is a measure of the importance of exchange effects in spin transport processes, and the diffusion coefficient D/sub 0/, both of which are in reasonable agreement with theory.

  20. UC Merced NMR Instrumentation Acquisition

    Science.gov (United States)

    2015-06-18

    UC Merced NMR Instrumentation Acquisition For the UC Merced NMR Instrumentation Acquisition proposal, a new 400 MHz and an upgraded 500 MHz NMR...valid OMB control number. PLEASE DO NOT RETURN YOUR FORM TO THE ABOVE ADDRESS. University of California - Merced 5200 North Lake Road Merced , CA 95343...UC Merced NMR Instrumentation Acquisition Report Title For the UC Merced NMR Instrumentation Acquisition proposal, a new 400 MHz and an upgraded 500

  1. NMR of geophysical drill cores with a mobile Halbach scanner

    International Nuclear Information System (INIS)

    Talnishnikh, E.

    2007-01-01

    This thesis is devoted to a mobile NMR with an improved Halbach scanner. This is a lightweight tube-shaped magnet with sensitive volume larger and a homogeneity of the magnetic field higher than the previous prototype version. The improved Halbach scanner is used for analysis of water-saturated drill cores and plugs with diameters up to 60 mm. To provide the analysis, the standard 1D technique with the CPMG sequence as well as 2D correlation experiments were successfully applied and adapted to study properties of fluid-saturated sediments. Afterwards the Halbach scanner was calibrated to fast non-destructive measurements of porosity, relaxation time distributions, and estimation of permeability. These properties can be calculated directly from the NMR data using the developed methodology. Any independent measurements of these properties with other methods are not needed. One of the main results of this work is the development of a new NMR on-line core scanner for measurements of porosity in long cylindrical and semi cylindrical drill cores. Also dedicated software was written to operate the NMR on-line core scanner. The physical background of this work is the study of the diffusion influence on transverse relaxation. The diffusion effect in the presence of internal gradients in porous media was probed by 1D and 2D experiments. The transverse relaxation time distributions obtained from 1D and from 2D experiments are comparable but different in fine details. Two new methodologies were developed based on the results of this study. First is the methodology quantifying the influence of diffusion in the internal gradients of water-saturated sediments on transverse relaxation from 2D correlation experiments. The second one is the correction of the permeability estimation from the NMR data taking in account the influence of the diffusion. Furthermore, PFG NMR technique was used to study restricted diffusion in the same kind of samples. Preliminary results are reported

  2. NMR of geophysical drill cores with a mobile Halbach scanner

    Energy Technology Data Exchange (ETDEWEB)

    Talnishnikh, E.

    2007-08-21

    This thesis is devoted to a mobile NMR with an improved Halbach scanner. This is a lightweight tube-shaped magnet with sensitive volume larger and a homogeneity of the magnetic field higher than the previous prototype version. The improved Halbach scanner is used for analysis of water-saturated drill cores and plugs with diameters up to 60 mm. To provide the analysis, the standard 1D technique with the CPMG sequence as well as 2D correlation experiments were successfully applied and adapted to study properties of fluid-saturated sediments. Afterwards the Halbach scanner was calibrated to fast non-destructive measurements of porosity, relaxation time distributions, and estimation of permeability. These properties can be calculated directly from the NMR data using the developed methodology. Any independent measurements of these properties with other methods are not needed. One of the main results of this work is the development of a new NMR on-line core scanner for measurements of porosity in long cylindrical and semi cylindrical drill cores. Also dedicated software was written to operate the NMR on-line core scanner. The physical background of this work is the study of the diffusion influence on transverse relaxation. The diffusion effect in the presence of internal gradients in porous media was probed by 1D and 2D experiments. The transverse relaxation time distributions obtained from 1D and from 2D experiments are comparable but different in fine details. Two new methodologies were developed based on the results of this study. First is the methodology quantifying the influence of diffusion in the internal gradients of water-saturated sediments on transverse relaxation from 2D correlation experiments. The second one is the correction of the permeability estimation from the NMR data taking in account the influence of the diffusion. Furthermore, PFG NMR technique was used to study restricted diffusion in the same kind of samples. Preliminary results are reported

  3. Hydrate Shell Growth Measured Using NMR.

    Science.gov (United States)

    Haber, Agnes; Akhfash, Masoumeh; Loh, Charles K; Aman, Zachary M; Fridjonsson, Einar O; May, Eric F; Johns, Michael L

    2015-08-18

    Benchtop nuclear magnetic resonance (NMR) pulsed field gradient (PFG) and relaxation measurements were used to monitor the clathrate hydrate shell growth occurring in water droplets dispersed in a continuous cyclopentane phase. These techniques allowed the growth of hydrate inside the opaque exterior shell to be monitored and, hence, information about the evolution of the shell's morphology to be deduced. NMR relaxation measurements were primarily used to monitor the hydrate shell growth kinetics, while PFG NMR diffusion experiments were used to determine the nominal droplet size distribution (DSD) of the unconverted water inside the shell core. A comparison of mean droplet sizes obtained directly via PFG NMR and independently deduced from relaxation measurements showed that the assumption of the shell model-a perfect spherical core of unconverted water-for these hydrate droplet systems is correct, but only after approximately 24 h of shell growth. Initially, hydrate growth is faster and heat-transfer-limited, leading to porous shells with surface areas larger than that of spheres with equivalent volumes. Subsequently, the hydrate growth rate becomes mass-transfer-limited, and the shells become thicker, spherical, and less porous.

  4. NMR imaging of the liver. Diagnostics, differential diagnostics, therapeutic approaches; MRT der Leber. Diagnostik, Differenzialdiagnostik, Therapieansaetze

    Energy Technology Data Exchange (ETDEWEB)

    Fischbach, Frank; Fischbach, Katharina [Universitaetsklinikum Magdeburg A.oe.R. (Germany). Klinik fuer Radiologie und Nuklearmedizin

    2017-03-01

    The book on NMR imaging of the liver covers the following issues: Fundamentals of NMR imaging, T1-weighted imaging; T2-weighted imaging, diffusion-weighted imaging, cavernous hemangioma, focal nodular hyperplasy; hepatocellular adenoma, hepatocellulas carcinoma, cholangiocellular carcinoma, hepatic metastases.

  5. Teaching NMR Using Online Textbooks

    Directory of Open Access Journals (Sweden)

    Joseph P. Hornak

    1999-12-01

    Full Text Available Nuclear magnetic resonance (NMR spectroscopy has almost become an essential analytical tool for the chemist. High-resolution one- and multi-dimensional NMR, timedomain NMR, and NMR microscopy are but a few of the NMR techniques at a chemist's disposal to determine chemical structure and dynamics. Consequently, even small chemistry departments are finding it necessary to provide students with NMR training and experience in at least some of these techniques. The hands-on experience is readily provided with access to state-of-the-art commercial spectrometers. Instruction in the principles of NMR is more difficult to achieve as most instructors try to teach NMR using single organic or analytical chemistry book chapters with static figures. This paper describes an online textbook on NMR spectroscopy called The Basics of NMR (http://www.cis.rit.edu/htbooks/nmr/ suitable for use in teaching the principles of NMR spectroscopy. The book utilizes hypertext and animations to present the principles of NMR spectroscopy. The book can be used as a textbook associated with a lecture or as a stand-alone teaching tool. Conference participants are encouraged to review the textbook and evaluate its suitability for us in teaching NMR spectroscopy to undergraduate chemistry majors.

  6. Fluid-Rock Characterization and Interactions in NMR Well Logging

    Energy Technology Data Exchange (ETDEWEB)

    Hirasaki, George J.; Mohanty, Kishore K.

    2003-02-10

    The objective of this project was to characterize the fluid properties and fluid-rock interactions which are needed for formation evaluation by NMR well logging. NMR well logging is finding wide use in formation evaluation. The formation parameters commonly estimated were porosity, permeability, and capillary bound water. Special cases include estimation of oil viscosity, residual oil saturation, location of oil/water contact, and interpretation on whether the hydrocarbon is oil or gas.

  7. Determination of size of molecular clusters of ethanol by means of NMR diffusometry and hydrodynamic calculations

    Czech Academy of Sciences Publication Activity Database

    Šoltésová, M.; Benda, L.; Peksa, M.; Czernek, Jiří; Lang, J.

    2014-01-01

    Roč. 118, č. 24 (2014), s. 6864-6874 ISSN 1520-6106 Institutional support: RVO:61389013 Keywords : diffusion * NMR * molecular Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.302, year: 2014

  8. Microprocessorized NMR measurement

    International Nuclear Information System (INIS)

    Rijllart, A.

    1984-01-01

    An MC68000 CAMAC microprocessor system for fast and accurate NMR signal measurement will be presented. A stand-alone CAMAC microprocessor system (MC68000 STAC) with a special purpose interface sweeps a digital frequency synthesizer and digitizes the NMR signal with a 16-bit ADC of 17 μs conversion time. It averages the NMR signal data over many sweeps and then transfers it through CAMAC to a computer for calculation of the signal parameters. The computer has full software control over the timing and sweep settings of this signal averager, and thus allows optimization of noise suppression. Several of these processor systems can be installed in the same crate for parallel processing, and the flexibility of the STAC also allows easy adaptation to other applications such as transient recording or phase-sensitive detection. (orig.)

  9. Structural NMR assignment

    International Nuclear Information System (INIS)

    Procter, J.B.; Torda, A.E.

    1999-01-01

    Full text: General automated NMR assignment approaches are aimed at full heteronuclear assignment, which is needed for structure determination. Usually, full assignment requires at least as much spectral information as is used for structure generation. For large proteins, obtaining sufficient spectral information may require a number of sample preparations and many spectra, resulting in a significant overhead for the use of NMR in biochemical investigation. For a protein of biochemical interest one may already have an x-ray crystal structure, but spectral assignment is still needed to use NMR as a structural probe for ligand binding studies. In this situation it may be possible to use much less spectral information to make an assignment based purely on the correspondence of structural data to the measurements contained in a few simple spectra. We introduce a framework to accomplish this 'structural assignment', and give some observations on the practical requirements for a structural assignment to succeed

  10. Fully automated system for pulsed NMR measurements

    International Nuclear Information System (INIS)

    Cantor, D.M.

    1977-01-01

    A system is described which places many of the complex, tedious operations for pulsed NMR experiments under computer control. It automatically optimizes the experiment parameters of pulse length and phase, and precision, accuracy, and measurement speed are improved. The hardware interface between the computer and the NMR instrument is described. Design features, justification of the choices made between alternative design strategies, and details of the implementation of design goals are presented. Software features common to all the available experiments are discussed. Optimization of pulse lengths and phases is performed via a sequential search technique called Uniplex. Measurements of the spin-lattice and spin-spin relaxation times and of diffusion constants are automatic. Options for expansion of the system are explored along with some of the limitations of the system

  11. Exploring the limits to spatially resolved NMR

    Energy Technology Data Exchange (ETDEWEB)

    Gaedke, Achim; Nestle, Nikolaus [TU Darmstadt, Institute of Condensed Matter Physics (Germany)

    2010-07-01

    Recent advances in MRI have demonstrated resolutions down to 1 {mu}m. Magnetic resonance force microscopy has the potential to reach sensitivity for single nuclear spins. Given these numbers, in vivo imaging of single cells or even biomacromolecules may seem possible. However, for in vivo applications, there are fundamental differences in the contrast mechanisms compared to MRI at macroscopic scales as the length scale of of molecular self-diffusion exceeds that of the spatial resolution on the NMR time scale. Those effects - which are fundamentally different from the echo attenuation in field gradient NMR - even may lead to general limitations on the spatial resolution achievable in aqueous systems with high water content. In our contribution, we explore those effects on a model system in a high-resolution stray-field imaging setup. In addition to experimental results, simulations based on the Bloch-Torrey equation are presented.

  12. International symposium on NMR spectroscopy

    International Nuclear Information System (INIS)

    The publication consists of 32 papers and presentations from the field of NMR spectroscopy applications submitted to the International Symposium on NMR Spectroscopy held at Smolenice between 29 Sep and 3 Oct, 1980. (B.S.)

  13. Autonomous driving in NMR.

    Science.gov (United States)

    Perez, Manuel

    2017-01-01

    The automatic analysis of NMR data has been a much-desired endeavour for the last six decades, as it is the case with any other analytical technique. This need for automation has only grown as advances in hardware; pulse sequences and automation have opened new research areas to NMR and increased the throughput of data. Full automatic analysis is a worthy, albeit hard, challenge, but in a world of artificial intelligence, instant communication and big data, it seems that this particular fight is happening with only one technique at a time (let this be NMR, MS, IR, UV or any other), when the reality of most laboratories is that there are several types of analytical instrumentation present. Data aggregation, verification and elucidation by using complementary techniques (e.g. MS and NMR) is a desirable outcome to pursue, although a time-consuming one if performed manually; hence, the use of automation to perform the heavy lifting for users is required to make the approach attractive for scientists. Many of the decisions and workflows that could be implemented under automation will depend on the two-way communication with databases that understand analytical data, because it is desirable not only to query these databases but also to grow them in as much of an automatic manner as possible. How these databases are designed, set up and the data inside classified will determine what workflows can be implemented. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

  14. NMR, water and plants

    NARCIS (Netherlands)

    As, van H.

    1982-01-01

    This Thesis describes the application of a non-destructive pulsed proton NMR method mainly to measure water transport in the xylem vessels of plant stems and in some model systems. The results are equally well applicable to liquid flow in other biological objects than plants, e.g. flow of blood and

  15. NMR of unfolded proteins

    Indian Academy of Sciences (India)

    Unknown

    2005-01-03

    Jan 3, 2005 ... out' response to environmental changes with structural complexity ... of 3D structure at atomic resolution of folded proteins ...... 5.14 HIV-1 protease. NMR identification of local structural preferences in. HIV-1 protease in the 'unfolded state' at 6 M gua- nidine hydrochloride has been reported.49 Analyses.

  16. Single-sided NMR

    CERN Document Server

    Casanova, Federico; Blümich, Bernhard

    2011-01-01

    Single-Sided NMR describes the design of the first functioning single-sided tomograph, the related measurement methods, and a number of applications. One of the key advantages to this method is the speed at which the images are obtained.

  17. NMR for chemists and biologists

    CERN Document Server

    Carbajo, Rodrigo J

    2013-01-01

    This book offers a concise introduction to the field of nuclear magnetic resonance or NMR. It presents the basic foundations of NMR in a non-mathematical way and provides an overview of both recent and important biological applications of NMR.

  18. Gas transport in solid oxide fuel cells

    CERN Document Server

    He, Weidong; Dickerson, James

    2014-01-01

    This book provides a comprehensive overview of contemporary research and emerging measurement technologies associated with gas transport in solid oxide fuel cells. Within these pages, an introduction to the concept of gas diffusion in solid oxide fuel cells is presented. This book also discusses the history and underlying fundamental mechanisms of gas diffusion in solid oxide fuel cells, general theoretical mathematical models for gas diffusion, and traditional and advanced techniques for gas diffusivity measurement.

  19. The GNAT: A new tool for processing NMR data.

    Science.gov (United States)

    Castañar, Laura; Poggetto, Guilherme Dal; Colbourne, Adam A; Morris, Gareth A; Nilsson, Mathias

    2018-02-02

    The GNAT (General NMR Analysis Toolbox) is a free and open-source software package for processing, visualising, and analysing NMR data. It supersedes the popular DOSY Toolbox, which has a narrower focus on diffusion NMR. Data import of most common formats from the major NMR platforms is supported, as well as a GNAT generic format. Key basic processing of NMR data (e.g., Fourier transformation, baseline correction, and phasing) is catered for within the program, as well as more advanced techniques (e.g., reference deconvolution and pure shift FID reconstruction). Analysis tools include DOSY and SCORE for diffusion data, ROSY T 1 /T 2 estimation for relaxation data, and PARAFAC for multilinear analysis. The GNAT is written for the MATLAB® language and comes with a user-friendly graphical user interface. The standard version is intended to run with a MATLAB installation, but completely free-standing compiled versions for Windows, Mac, and Linux are also freely available. © 2018 The Authors Magnetic Resonance in Chemistry Published by John Wiley & Sons Ltd.

  20. Central 300 PC of the Galaxy Probed by the Infrared Spectra of H_3^+ and Co: I. Predominance of Warm and Diffuse Gas and High H_2 Ionization Rate

    Science.gov (United States)

    Oka, Takeshi; Geballe, Thomas R.; Goto, Miwa; Usuda, Tomonori; Indriolo, Nick

    2016-06-01

    A low-resolution 2.0-2.5 μm survey of ˜500 very red point-like objects in the Central Molecular Zone (CMZ) of our Galaxy, initiated in 2008, has revealed many new bright objects with featureless spectra that are suitable for high resolution absorption spectroscopy of H_3^+ and CO. We now have altogether 48 objects mostly close to the Galactic plane located from 142 pc to the west of Sgr A* to 120 pc east allowing us to probe dense and diffuse gas by H_3^+ and dense gas by CO. Our observations demonstrate that the warm (˜250 K) and diffuse (≤100 cm-3) gas with a large column length (≥30 pc) initially observed toward the brightest star in the CMZ, GCS3-2 of the Quintuplet Cluster, exists throughout the CMZ with the surface filling factor of ˜ 100% dominating the region. The column densities of CO in the CMZ are found to be much less than those in the three foreground spiral arms except in the directions of Sgr B and Sgr E complexes and indicate that the volume filling factor of dense clouds of 10% previously estimated is a gross overestimate for the front half of the CMZ. Nevertheless the predominance of the newly found diffuse molecular gas makes the term "Central Molecular Zone" even more appropriate. The ultra-hot X-rays emitting plasma which some thought to dominate the region must be non existent except near the stars and SNRs. Recently the H_2 fraction f(H_2) in diffuse gas of the CMZ has been reported to be ˜0.6. If we use this value, the cosmic ray H_2 ionization rate ζ of a few times 10-15 s-1 reported earlier^b on the assumption of f(H_2)=1 needs to be increased by a factor of ˜3 since the value is approximately inversely proportional to f(H_2)^2. Geballe, T. R., Oka, T., Lambridges, E., Yeh, S. C. C., Schlegelmilch, B., Goto, M., Westrick, C. W., WI07 at the 70th ISMS, Urbana, IL, USA,2015 Oka, T., Geballe, T. R., Goto, M., Usuda, T., McCall, B. J. 2005, ApJ, 632, 882 Le Petit, F., Ruaud, M., Bron, E., Godard, B., Roueff, E., Languignon, D., Le

  1. Review of enhanced vapor diffusion in porous media

    International Nuclear Information System (INIS)

    Webb, S.W.; Ho, C.K.

    1998-01-01

    Vapor diffusion in porous media in the presence of its own liquid has often been treated similar to gas diffusion. The gas diffusion rate in porous media is much lower than in free space due to the presence of the porous medium and any liquid present. However, enhanced vapor diffusion has also been postulated such that the diffusion rate may approach free-space values. Existing data and models for enhanced vapor diffusion, including those in TOUGH2, are reviewed in this paper

  2. NMR Studies of Peroxidases.

    Science.gov (United States)

    Veitch, Nigel Charles

    Available from UMI in association with The British Library. Requires signed TDF. Peroxidases are a haem-containing group of enzymes with a wide diversity of function within biological systems. While a common characteristic is the ability to catalyse the conversion of hydrogen peroxide to water, it is the accompanying processes of hormone synthesis and degradation which have generated such a high level of interest. However, information at the molecular level is limited to a single well-resolved crystal structure, that of yeast cytochrome c peroxidase. This thesis presents a strategy for the investigation of peroxidase structure and function based on proton nuclear magnetic resonance spectroscopy, a technique which has the ability to address aspects of both protein structure and protein dynamics in solution. The application of one- and two-dimensional NMR techniques has been developed in the context of plant peroxidases, notably the isoenzyme HRP-C derived from the horseradish root. Characterisation of the proton NMR spectra of HRP -C in resting and ligated states provided new information enabling the structure of the binding site for aromatic donor molecules, such as indole-3-propionic, ferulic and benzhydroxamic acids, to be resolved. In order to overcome difficulties encountered with a protein of the complexity of peroxidase, additional information was obtained from chemical shift parameters and the use of peroxidase variants produced by site-directed mutagenesis. A comparative study using NMR spectroscopy was undertaken for wild-type recombinant HRP-C expressed in Escherichia coli, and two protein variants with substitutions made to residues located on the distal side of the haem pocket, Phe41 to Val and Arg38 to Lys. NMR analyses of a plant peroxidase from barley grains and the fungal peroxidase from Coprinus cinereus were also successful using methods conceived with HRP-C. Examination of three specifically constructed recombinant protein variants of C. cinereus

  3. NMR, water and plants

    International Nuclear Information System (INIS)

    As, H. van.

    1982-01-01

    This thesis describes the application of a non-destructive pulsed proton NMR method mainly to measure water transport in the xylem vessels of plant stems and in some model systems. The results are equally well applicable to liquid flow in other biological objects than plants, e.g. flow of blood and other body fluids in human and animals. The method is based on a pulse sequence of equidistant π pulses in combination with a linear magnetic field gradient. (Auth.)

  4. Diffusion in flexible pipes

    Energy Technology Data Exchange (ETDEWEB)

    Brogaard Kristensen, S.

    2000-06-01

    This report describes the work done on modelling and simulation of the complex diffusion of gas through the wall of a flexible pipe. The diffusion and thus the pressure in annulus depends strongly on the diffusion and solubility parameters of the gas-polymer system and on the degree of blocking of the outer surface of the inner liner due to pressure reinforcements. The report evaluates the basis modelling required to describe the complex geometries and flow patterns. Qualitatively results of temperature and concentration profiles are shown in the report. For the program to serve any modelling purpose in 'real life' the results need to be validated and possibly the model needs corrections. Hopefully, a full-scale test of a flexible pipe will provide the required temperatures and pressures in annulus to validate the models. (EHS)

  5. Crystalline Bis-urea Nanochannel Architectures Tailored for Single-File Diffusion Studies.

    Science.gov (United States)

    Bowers, Clifford R; Dvoyashkin, Muslim; Salpage, Sahan R; Akel, Christopher; Bhase, Hrishi; Geer, Michael F; Shimizu, Linda S

    2015-06-23

    Urea is a versatile building block that can be modified to self-assemble into a multitude of structures. One-dimensional nanochannels with zigzag architecture and cross-sectional dimensions of only ∼3.7 Å × 4.8 Å are formed by the columnar assembly of phenyl ether bis-urea macrocycles. Nanochannels formed by phenylethynylene bis-urea macrocycles have a round cross-section with a diameter of ∼9.0 Å. This work compares the Xe atom packing and diffusion inside the crystalline channels of these two bis-ureas using hyperpolarized Xe-129 NMR. The elliptical channel structure of the phenyl ether bis-urea macrocycle produces a Xe-129 powder pattern line shape characteristic of an asymmetric chemical shift tensor with shifts extending to well over 300 ppm with respect to the bulk gas, reflecting extreme confinement of the Xe atom. The wider channels formed by phenylethynylene bis-urea, in contrast, present an isotropic dynamically average electronic environment. Completely different diffusion dynamics are revealed in the two bis-ureas using hyperpolarized spin-tracer exchange NMR. Thus, a simple replacement of phenyl ether with phenylethynylene as the rigid linker unit results in a transition from single-file to Fickian diffusion dynamics. Self-assembled bis-urea macrocycles are found to be highly suitable materials for fundamental molecular transport studies on micrometer length scales.

  6. Estimating microstructural length scales in k-carrageenan hydrogels by PFG NMR nanoprobe diffusometry

    NARCIS (Netherlands)

    Kort, de D.W.; As, van H.; Duynhoven, van J.P.M.

    2016-01-01

    We use PFG NMR to measure hindered self-diffusion of spherical, monodisperse diffusional nanoprobes in a polysaccharide network.
    These nanoprobes have different diameters in the 1–10 nm range, but identical inert (PEG) surfaces. We use Johnson’s model of
    particle self-diffusion in fibrous

  7. Volatile-Compound Fingerprinting by Headspace-Gas-Chromatography Ion-Mobility Spectrometry (HS-GC-IMS) as a Benchtop Alternative to 1H NMR Profiling for Assessment of the Authenticity of Honey.

    Science.gov (United States)

    Gerhardt, Natalie; Birkenmeier, Markus; Schwolow, Sebastian; Rohn, Sascha; Weller, Philipp

    2018-02-06

    This work describes a simple approach for the untargeted profiling of volatile compounds for the authentication of the botanical origins of honey based on resolution-optimized HS-GC-IMS combined with optimized chemometric techniques, namely PCA, LDA, and kNN. A direct comparison of the PCA-LDA models between the HS-GC-IMS and 1 H NMR data demonstrated that HS-GC-IMS profiling could be used as a complementary tool to NMR-based profiling of honey samples. Whereas NMR profiling still requires comparatively precise sample preparation, pH adjustment in particular, HS-GC-IMS fingerprinting may be considered an alternative approach for a truly fully automatable, cost-efficient, and in particular highly sensitive method. It was demonstrated that all tested honey samples could be distinguished on the basis of their botanical origins. Loading plots revealed the volatile compounds responsible for the differences among the monofloral honeys. The HS-GC-IMS-based PCA-LDA model was composed of two linear functions of discrimination and 10 selected PCs that discriminated canola, acacia, and honeydew honeys with a predictive accuracy of 98.6%. Application of the LDA model to an external test set of 10 authentic honeys clearly proved the high predictive ability of the model by correctly classifying them into three variety groups with 100% correct classifications. The constructed model presents a simple and efficient method of analysis and may serve as a basis for the authentication of other food types.

  8. NMR spectroscopic study and DFT calculations of GIAO NMR ...

    African Journals Online (AJOL)

    1H, proton coupled and decoupled 13C, DEPT, HETCOR NMR spectra, the magnitude of one bond 1JCH coupling constants and 13C NMR spin-lattice relaxation time (T1) of 1,9-diaminononane (danon, C9H22N2) have been reported for the first time. 1H, 13C NMR chemical shifts and 1JCH coupling constants of danon ...

  9. NMR imaging of the spine

    Energy Technology Data Exchange (ETDEWEB)

    Han, J.S. (Case Western Reserve Univ. School of Medicine, Cleveland, OH); Kaufman, B.; El Yousef, S.J.; Benson, J.E.; Bonstelle, C.T.; Alfidi, R.J.; Haaga, J.R.; Yeung, H.; Huss, R.G.

    1983-12-01

    The usefulness of nuclear magnetic resonance (NMR) images in the evaluation of spinal disorders below the craniocervical junction was studied. Six normal subjects and 41 patients with various spinal abnormalities were examined. NMR proved capable of demonstrating important normal and pathologic anatomic structures; it was useful in the evaluation of syringohydromyelia and cystic spinal cord tumors, and the bright signal intensity of lipoma was quite impressive. In the evaluation of herniated disk, NMR images offered a new perspective by visualizing abnormal degradation of the signal intensity of the nucleus pulposus itself. NMR images were least valuable in the evaluation of spondylosis and spinal stenosis. Although NMR imaging of the spine is still in a very early developmental stage, the absence of both ionizing radiation and risks associated with contrast material makes it especially attractive as a new diagnostic method. This limited experience with currently available equipment suggests that, with technical refinement, the efficacy of NMR of the spine will increase.

  10. Twin-domain size and bulk oxygen in-diffusion kinetics of YBa2Cu3O6+x studied by neutron powder diffraction and gas volumetry

    DEFF Research Database (Denmark)

    Poulsen, H.F.; Andersen, N.H.; Lebech, B.

    1991-01-01

    We report experimental results of twin-domain size and bulk oxygen in-diffusion kinetics of YBa2Cu3O6+x, which supplement a previous and simultaneous study of the structural phase diagram and oxygen equilibrium partial pressure. Analysis of neutron powder diffraction peak broadening show features...... which are identified to result from temperature independent twin-domain formation in to different orthorhombic phases with domain sizes 250 and 350 angstrom, respectively. The oxygen in-diffusion flow shows simple relaxation type behaviour J = J0 exp(-t/tau) despite a rather broad particle size...... distribution. At higher temperatures, tau is activated with activation energies 0.55 and 0.25 eV in the tetragonal and orthorhombic phases, respectively. Comparison between twin-domain sizes and bulk oxygen in-diffusion time constants indicates that the twin-domain boundaries may contribute to the effective...

  11. Processing DOSY NMR Data by Chemometric Methods

    NARCIS (Netherlands)

    Huo, R.

    2006-01-01

    DOSY NMR can be used as a non-invasive separation method for complex mixtures. It is more and more attractive for industrial laboratories, for the main advantage DOSY NMR over routine separation methods such as LC-NMR is easy and economical implementation. With NMR instruments, DOSY NMR data can be

  12. {sup 13}C NMR, micro-FTIR and fluorescence spectra and pyrolysis-gas chromatograms of coalified foliage of late Carboniferous medullosan seed ferns, Nova Scotia, Canada: implications for coalification and chemotaxonomy

    Energy Technology Data Exchange (ETDEWEB)

    Lyons, P.C.; Orem, W.H.; Mastalerz, M.; Zodrow, E.L.; Vieth-Redemann, A.; Bustin, R.M. [US Geological Survey, Reston, VA (United States)

    1995-03-01

    The cuticles and cuticle-free compression of three Carboniferous medullosan seed-fern leaf species ({ital Macroneuropteris scheuchzeri}, {ital Neuropteris ovata} var. {ital simonii} and {ital Alethopteris lesquereuxii}) were analyzed by elemental, {sup 13}C nuclear magnetic resonance (NMR), micro-FTIR (Fourier transform infrared) and coal petrographic techniques. The {sup 13}C NMR spectra of the cuticle-free compression and the associated whole coal are generally similar and consist of a large aromatic carbon peak, a smaller aliphatic carbon peak and a shoulder on the aromatic peak, representing phenolic carbons. In contrast, the {sup 13}C NMR spectra of the cuticles from the same leaves have a predominant peak for aliphatic carbons and a much smaller aromatic carbon peak. Micro-FTIR spectra of the cuticles show oxygenated functional groups (carboxyl and ketone) similar to those in modern cuticles. The cuticle-free compressions (mainly vitrinite), in turn, show the absence or significant reduction in oxygenated functional groups. Fluorescence spectra for the cuticles from all these species show a great similarity with a {lambda}{sub max} at 580-590 nm, which is consistent with the similar vitrinite reflectance (R{sub r}) and H/C and O/C ratios of the cuticle-free compressions. These results indicate that leaf cuticle-free compressions, which were initially cellulose rich, can alter, during peatification and coalification, to a macromolecular structure similar to that of coalified wood. Thus, a lignin-enriched structure is not a prerequisite for the formation of the macromolecular structure of vitrinite. The micro-FTIR data reveal some significant differences among the cuticles that may be of chemotaxonomic value. Clearly,a combination of macro- and micro-techniques offers a better basis for the interpretation of the molecular structure of pre-macerals and their alteration during peatification and coalification. 55 refs., 11 figs., 4 tabs.

  13. nmr spectroscopic study and dft calculations of giao nmr shieldings

    African Journals Online (AJOL)

    Preferred Customer

    NMR is a sensitive and versatile probe of molecular-scale structure and dynamics in solids and liquids. It has been widely used in chemistry, materials and geochemistry [21-23] and it enables one to get faster and easier structural information. The standard 1D and 2D hetero and homonuclear NMR experiments are enough ...

  14. Which is the most efficient agent for the diffusion of a high-performance technology? Study of the gas-burning condensing boilers'market in four European countries

    International Nuclear Information System (INIS)

    Cauret, L.; Adnot, J.; Haug, J.; Weber, Ch.

    1999-01-01

    The diffusion of technology is often confronted to numerous barriers (market, economical, social...). The combination of strategies along the partners' chain - equipment manufacturer, utility, government, retailer, installer and customer - contributes to the success or the failure of a diffusion. For a given technology, the comparison of different national markets can help to understand why diffusion programs are successful in a country and not in another one. The gas-burning condensing boilers is a good example. It is theoretically the post efficient boiler with LHV efficiency above 100 %, which guarantee an attractive pay-back period for an individual unit (below 10 years) or for a collective equipment (below 5 years). It also induces lower CO 2 and NO x emissions. But the success on the market of this highly-efficient technology, designed in the seventies, has been dramatically different according to the country. The authors reconstitute these market evolutions for the four countries (France, Germany, Great Britain and Netherlands). Furthermore, the link between sales and strategy of main parties involved ( equipment maker, utility, government, retailer, installer and customer - is analysed throughout the past and current promoting methods implemented for their development (R and D supports by utility, subsidies to customers, subsidies to installers...). Finally, the authors prove the role of the involved partners' chain and of the management of subsidies as determining factors for any market development. (authors)

  15. THz Dynamic Nuclear Polarization NMR.

    Science.gov (United States)

    Nanni, Emilio A; Barnes, Alexander B; Griffin, Robert G; Temkin, Richard J

    2011-08-29

    Dynamic nuclear polarization (DNP) increases the sensitivity of nuclear magnetic resonance (NMR) spectroscopy by using high frequency microwaves to transfer the polarization of the electrons to the nuclear spins. The enhancement in NMR sensitivity can amount to a factor of well above 100, enabling faster data acquisition and greatly improved NMR measurements. With the increasing magnetic fields (up to 23 T) used in NMR research, the required frequency for DNP falls into the THz band (140-600 GHz). Gyrotrons have been developed to meet the demanding specifications for DNP NMR, including power levels of tens of watts; frequency stability of a few megahertz; and power stability of 1% over runs that last for several days to weeks. Continuous gyrotron frequency tuning of over 1 GHz has also been demonstrated. The complete DNP NMR system must include a low loss transmission line; an optimized antenna; and a holder for efficient coupling of the THz radiation to the sample. This paper describes the DNP NMR process and illustrates the THz systems needed for this demanding spectroscopic application. THz DNP NMR is a rapidly developing, exciting area of THz science and technology.

  16. NMR imaging studies of coal

    Energy Technology Data Exchange (ETDEWEB)

    Ma, Z.R.; Zhang, P.Z.; Ding, G.L.; Li, L.Y.; Ye, C.H. [University of Science and Technology, Beijing (China). Dept. of Chemistry

    1996-06-01

    The permeation transportation and swelling behavior of solvents into coal are investigated by NMR imaging using pyridine-d{sub 5} and acetone-d{sub 6}. Images of coal swollen with deuterated solvents illuminate proton distributions of mobile phases within the coal macromolecular networks. More information about the chemical and physical structure of coal can be obtained using NMR imaging techniques.

  17. NMR imaging of osteoarticular pathology

    Energy Technology Data Exchange (ETDEWEB)

    Frocrain, L.; Duvauferrier, R.; Gagey, N. and others

    1987-01-01

    NMR imaging is assuming an increasingly important role in the diagnosis of osteo-articular disorders. Semiological descriptions of the mean pathological disorders of the locomotor system are presented. Some investigation strategies are proposed to compare NMR imaging with other imaging techniques in various pathological states.

  18. NMR in pulsed magnetic field

    KAUST Repository

    Abou-Hamad, Edy

    2011-09-01

    Nuclear magnetic resonance (NMR) experiments in pulsed magnetic fields up to 30.4 T focused on 1H and 93Nb nuclei are reported. Here we discuss the advantage and limitation of pulsed field NMR and why this technique is able to become a promising research tool. © 2011 Elsevier Inc. All Rights Reserved.

  19. Quantum Information Processing by NMR

    Indian Academy of Sciences (India)

    Keywords. NMR; quantum information processing; quantum computing; qubits; pseudopure states; quantum; pseudopure states; quantum gates; quantum simulations; decoherence. ... T S Mahesh1. Department of Physics and NMR Research Center, Indian Institute of Science Education and Research, Pune 411 008, India ...

  20. Resistive NMR of intracranial hematomas

    Energy Technology Data Exchange (ETDEWEB)

    Zimmerman, R.A.; Bilaniuk, L.T.; Grossman, R.I.; Levine, R.S.; Lynch, R.; Goldberg, H.I.; Samuel, L.; Edelstein, W.; Bottomley, P.; Redington, R.W.

    1985-01-01

    Comparison between computed tomography and nuclear magnetic resonance imaging in 17 patients with intracranial hematomas indicate a distinct role for NMR in evaluating the stable patient with hematoma. NMR is useful for delineating the extent of the hematoma, the relationship of the hematoma to brain anatomy, and the presence of hematoma at a time when the hematoma is isodense on CT.

  1. Anomalous increase of diffuse CO_{2} emission from Brava (Cape Verde): evidence of volcanic unrest or increase gas release from a stationary magma body?

    Science.gov (United States)

    García-Merino, Marta; García-Hernández, Rubén; Montrond, Eurico; Dionis, Samara; Fernandes, Paulo; Silva, Sonia V.; Alfama, Vera; Cabral, Jeremías; Pereira, Jose M.; Padrón, Eleazar; Pérez, Nemesio M.

    2017-04-01

    Brava (67 km2) is the southwestern most and the smallest inhabited island of the Cape Verde archipelago. It is located 18 km west of Fogo Island and rises 976 m from the sea level. Brava has not any documented historical eruptions, but its Holocene volcanism and relatively high seismic activity clearly indicate that it is an active volcanic island. Since there have been no historic eruptions in Brava, volcanic hazard awareness among the population and the authorities is very low; therefore, its volcano monitoring program is scarce. With the aim of helping to provide a multidisciplinary monitoring program for the volcanic surveillance of the island, diffuse CO2 emission surveys have been carried out since 2010; approximately every 2 years. Soil CO2 efflux measurements are periodically performed at ˜ 275 observation sites all over the island and after taking into consideration their accessibility and the island volcano-structural characteristics. At each sampling site, soil CO2 efflux measurement was performed by means of a portable NDIR sensor according to the accumulation chamber method. To quantify the total diffuse CO2 emission from Brava volcanic system, soil CO2 efflux maps were constructed using sequential Gaussian simulations (sGs). An increase trend of diffuse CO2 emission rate from 42 to 681 t d-1at Brava was observed; just one year prior the 2014-2015 Fogo eruption and almost three years before the anomalous seismic activity recorded on August 2016 with more than 1000 seismic events registered by the INMG on August 1st, 2016 (Bruno Faria, personal communication). Due to this anomalous seismic activity, a diffuse CO2 emission survey at Brava was performed from August 2 to 10, 2016, and the estimated degassing rate yield a value about 72 t d-1; typical background values. An additional survey was carried out from October 22 to November 6, 2016. For this last survey, the estimated diffuse CO2 emission from Brava showed the highest observed value with a

  2. Fundamentals of Protein NMR Spectroscopy

    CERN Document Server

    Rule, Gordon S

    2006-01-01

    NMR spectroscopy has proven to be a powerful technique to study the structure and dynamics of biological macromolecules. Fundamentals of Protein NMR Spectroscopy is a comprehensive textbook that guides the reader from a basic understanding of the phenomenological properties of magnetic resonance to the application and interpretation of modern multi-dimensional NMR experiments on 15N/13C-labeled proteins. Beginning with elementary quantum mechanics, a set of practical rules is presented and used to describe many commonly employed multi-dimensional, multi-nuclear NMR pulse sequences. A modular analysis of NMR pulse sequence building blocks also provides a basis for understanding and developing novel pulse programs. This text not only covers topics from chemical shift assignment to protein structure refinement, as well as the analysis of protein dynamics and chemical kinetics, but also provides a practical guide to many aspects of modern spectrometer hardware, sample preparation, experimental set-up, and data pr...

  3. Structural Biology: Practical NMR Applications

    CERN Document Server

    Teng, Quincy

    2005-01-01

    This textbook begins with an overview of NMR development and applications in biological systems. It describes recent developments in instrument hardware and methodology. Chapters highlight the scope and limitation of NMR methods. While detailed math and quantum mechanics dealing with NMR theory have been addressed in several well-known NMR volumes, chapter two of this volume illustrates the fundamental principles and concepts of NMR spectroscopy in a more descriptive manner. Topics such as instrument setup, data acquisition, and data processing using a variety of offline software are discussed. Chapters further discuss several routine stategies for preparing samples, especially for macromolecules and complexes. The target market for such a volume includes researchers in the field of biochemistry, chemistry, structural biology and biophysics.

  4. Semi-Empirical Model of Toluene Transport in Polyethylene Membranes Based on the Data Using a New Type of Apparatus for Determining Gas Permeability, Diffusivity and Solubility

    Czech Academy of Sciences Publication Activity Database

    Setničková, Kateřina; Wagner, Zdeněk; Noble, R.; Uchytil, Petr

    2011-01-01

    Roč. 66, č. 22 (2011), s. 5566-5574 ISSN 0009-2509 R&D Projects: GA ČR GA104/09/1165; GA MŠk ME 889; GA ČR GCP106/10/J038 Institutional research plan: CEZ:AV0Z40720504 Keywords : mass transfer * diffusion * membranes Subject RIV: CB - Analytical Chemistry, Separation Impact factor: 2.431, year: 2011

  5. Modelling of gas diffusion limitations in Ni/YSZ electrode material in CO2 and co-electrolysis

    DEFF Research Database (Denmark)

    Duhn, Jakob Dragsbæk; Jensen, Anker Degn; Wedel, Stig

    2016-01-01

    Carbon formation during CO2 and co-electrolysis (combined electrolysis of H2O and CO2)has been observed in recent studies, under operating conditions where carbon formation,based on the bulk gas composition, should be thermodynamically unfavorable. The carboncan principally be formed by the Boudo......Carbon formation during CO2 and co-electrolysis (combined electrolysis of H2O and CO2)has been observed in recent studies, under operating conditions where carbon formation,based on the bulk gas composition, should be thermodynamically unfavorable. The carboncan principally be formed...

  6. NMR Measurements of Granular Flow and Compaction

    Science.gov (United States)

    Fukushima, Eiichi

    1998-03-01

    Nuclear magnetic resonance (NMR) can be used to measure statistical distributions of granular flow velocity and fluctuations of velocity, as well as spatial distributions of particulate concentration, flow velocity, its fluctuations, and other parameters that may be derived from these. All measurements have been of protons in liquid-containing particles such as mustard seeds or pharmaceutical pills. Our favorite geometry has been the slowly rotating partially filled rotating drum with granular flow taking place along the free surface of the particles. All the above-mentioned parameters have been studied as well as a spatial distribution of particulate diffusion coefficients, energy dissipation due to collisions, as well as segregation of non-uniform mixtures of granular material. Finally, we describe some motions of granular material under periodic vibrations.

  7. Annual reports on NMR spectroscopy

    CERN Document Server

    Webb, Graham A; McCarthy, M J

    1995-01-01

    Over recent years, no other technique has grown to such importance as that of NMR spectroscopy. It is used in all branches of science where precise structural determination is required and where the nature of interactions and reactions in solution is being studied. Annual Reports on NMR Spectroscopy has established itself as a means for the specialist and non-specialist alike to become familiar with new applications of the technique in all branches of chemistry, including biochemistry, and pharmaceutics. This volume focuses on theoretical aspects of NMR nuclear shielding and on applications of

  8. Gas diffusivity in chinampas soils in Mexico City Difusión de gases en suelos de chinampas en la Ciudad de México Difusão de gases em solos chinampas da Cidade do México

    Directory of Open Access Journals (Sweden)

    Ervin Stephan-Otto

    2012-11-01

    Full Text Available In this laboratory experiment we measured soil gas diffusion coefficients (D on undisturbed cores of anthropogenic chinampas soils and tested the validity of some classical gas diffusivity models for predicting the ratio of D to the gas diffusion coefficient in free air (D0 as a function of the soil air-filled porosity (?. The A1 horizon (0-7 cm of chinampas soils had the highest gas diffusivity and a linear relationship between D/D0 and ?, and thus, the Penman model gave an adequate prediction for this sub-horizon. The Millington-Quirk model was similar to the D/D0 at all values of ? for the A2 sub-horizon (7-18 cm and at ? < 0.5 cm3 cm-3 for the A3 (18-30 cm and A4 (30-50 cm sub-horizons. Gas diffusivities in chinampas soils were lower than in mineral soils, as predicted by D/D0(? models, likely due to the high content of soil organic carbon. The predictive models could be used for the evaluation of greenhouse gases emission from chinampas soil.En este experimento de laboratorio medimos los coeficientes de difusión de gas (D en núcleos inalterados de suelos antropogénicos de chinampas y probamos la validez de algunos modelos clásicos de difusión de gases para predecir la relación de D al coeficiente de difusión de gas en aire libre (Do como una función de la porosidad del suelo llena de aire (?. El horizonte A1 (0-7cm de los suelos de chinampas alcanzó la difusividad de gas más alta y una relación lineal entre D/Do y ?, y así, el modelo de Penman mostró una predicción adecuada para este subhorizonte. El modelo de Millington-Quick tuvo un D/Do similar en todo el rango de ? para el subhorizonte A2 (7-18 cm y a la ? < 0,5 cm3 cm-3 para los subhorizontes A3 (18-30 cm y A4 (30-50 cm. La difusividad de gas en suelos de chinampas fue menor que en suelos minerales, como predijeron los modelos D/Do(?, debido probablemente al contenido elevado de carbono orgánico del suelo. Los modelos predictivos podrían ser utilizados para la valoraci

  9. A predictive method for crude oil volatile organic compounds emission from soil: evaporation and diffusion behavior investigation of binary gas mixtures.

    Science.gov (United States)

    Wang, Haijing; Fischer, Thomas; Wieprecht, Wolfgang; Möller, Detlev

    2015-05-01

    Due to their mobility and toxicity, crude oil volatile organic compounds (VOCs) are representative components for oil pipeline contaminated sites detection. Therefore, contaminated location risk assessment, with airborne light detection and ranging (LIDAR) survey, in particular, requires ground-based determinative methods for oil VOCs, the interaction between oil VOCs and soil, and information on how they diffuse from underground into atmosphere. First, we developed a method for determination of crude oil VOC binary mixtures (take n-pentane and n-hexane as examples), taking synergistic effects of VOC mixtures on polydimethylsiloxane (PDMS) solid-phase microextraction (SPME) fibers into consideration. Using this method, we further aim to extract VOCs from small volumes, for example, from soil pores, using a custom-made sampling device for nondestructive SPME fiber intrusion, and to study VOC transport through heterogeneous porous media. Second, specific surface Brunauer-Emmett-Teller (BET) analysis was conducted and used for estimation of VOC isotherm parameters in soil. Finally, two models were fitted for VOC emission prediction, and the results were compared to the experimental emission results. It was found that free diffusion mode worked well, and an empirical correction factor seems to be needed for the other model to adapt to our condition for single and binary systems.

  10. Enhancement Corrosion Resistance of (γ-Glycidyloxypropyl-Silsesquioxane-Titanium Dioxide Films and Its Validation by Gas Molecule Diffusion Coefficients Using Molecular Dynamics (MD Simulation

    Directory of Open Access Journals (Sweden)

    Haiyan Wang

    2014-01-01

    Full Text Available Based on silsesquioxanes (SSO derived from the hydrolytic condensation of (γ-glycidyloxypropyltrimethoxysilane (GPMS and titanium tetrabutoxide (TTB, hybrid films on aluminum alloy (AA, film-GPMS-SSO (f-GS and f-GS-TTBi% (f-GSTT5%–25%, i = 5, 10, 15, 20 and 25 wt%, were prepared and tested by electrochemical measurements with typical potentiodynamic polarization curves. The Icorr values of the samples were significantly lower, comparing with the Icorr values of the f-GS, AA and f-GS modified tetraethoxysilane (TEOS in the previous study, which implies that the TTB5%–25% (TiO2 additions in the coatings indeed enhance the electrochemical corrosion resistance. Correlations between the film structures and anticorrosion properties were discussed. To validate the corresponding anticorrosion experiment results, different 3D-amorphous cubic unit cells were employed as models to investigate the self-diffusion coefficient (SDC for SO2, NO2 and H2O molecules by molecular dynamics (MD simulation. All of the SDCs calculated for SO2, NO2 and H2O diffusing in f-GSTT5%–25% cells were less than the SDCs in f-GS. These results validated the corresponding anticorrosion experiment results.

  11. An Effective Continuum Model for the Liquid-to-Gas Phase Change in a Porous Medium Driven by Solute Diffusion: I. Constant Pressure Decline Rates

    Energy Technology Data Exchange (ETDEWEB)

    Tsimpanogiannis, Ioannis N.; Yortsos, Yanis C.

    2001-08-15

    This report, focuses on the isothermal gas phase growth from a supersaturated, slightly compressible, binary liquid in a porous medium. This is driven by mass transfer, the extent of which is controlled by the application of either a constant-rate decline of the system pressure or the withdrawal of the liquid at a constant rate. This report deals with the first process. Pressure depletion due to constant-rate liquid withdrawal is analyzed in a companion report .

  12. β-NMR sample optimization

    CERN Document Server

    Zakoucka, Eva

    2013-01-01

    During my summer student programme I was working on sample optimization for a new β-NMR project at the ISOLDE facility. The β-NMR technique is well-established in solid-state physics and just recently it is being introduced for applications in biochemistry and life sciences. The β-NMR collaboration will be applying for beam time to the INTC committee in September for three nuclei: Cu, Zn and Mg. Sample optimization for Mg was already performed last year during the summer student programme. Therefore sample optimization for Cu and Zn had to be completed as well for the project proposal. My part in the project was to perform thorough literature research on techniques studying Cu and Zn complexes in native conditions, search for relevant binding candidates for Cu and Zn applicable for ß-NMR and eventually evaluate selected binding candidates using UV-VIS spectrometry.

  13. Interpretations of NMR images

    International Nuclear Information System (INIS)

    Shi, J.Z.; McFarland, W.D.; Chen, S.S.; Sadhu, V.K.

    1986-01-01

    Two color display schemes are generally considered in medical images: pseudo-color and color composite. Psuedo-color technique maps the intensity means of a single monochrome image into a three dimensional color space, the gray level is thus replaced by the assigned color. Such a psuedo-color assignment is somewhat arbitrary but may be advantageous if the monochrome image is composed of simple intensity patterns. A good example of psuedo-color application is in nuclear medicine: The change of gray levels can be simply determined and the isocounts from two regions with different surroundings can be readily recognized. However, the use of psuedo-color in CT or MR imaging is controversial because it does not give additional information and may exaggerate insignificant gray scale differences. The color composite technique maps three parametric image data into a three dimensional color space, and thus three monochrome images are merged to form a single color image. The color composite technique increases the number of ways information can be displayed and provides both quantitative and qualitative data about the object or event represented. This paper describes the application of color composite in NMR images

  14. Preparation of Sm(x)Ce(1-x)O2(SDC) electrolyte film with gradient structure via a gas-phase controlling convection-diffusion approach on porous substrate.

    Science.gov (United States)

    Wei, Haizhen; Zeng, Yanwei; Wang, Ling; Cai, Tongxiang; Sun, Xiaolei

    2010-12-15

    A SDC electrolyte film with gradient structure rooted on porous alumina substrate has been prepared by using a gas-phase controlling convection-diffusion approach. Investigation on the fabrication principles and the co-precipitation kinetics turned out the gradient distribution of hydroxide product of Ce(OH)(3) and Sm(OH)(3) in a porous substrate could be formed as induced by the down-toward diffusion of NH(3)·H(2)O in polar solvent along vertical direction and the up-toward convection of Sm(3+) and Ce(3+) ions over the cross-section of porous substrate, and the aim ratio of Ce to Sm of 4:1 in the sediment phase would be achieved by controlling component concentration in bulk solution. As a result, Sm(0.2)Ce(0.8)O(2.0)(SDC) electrolyte film with gradient microstructure could be fabricated after a subsequent sintering treatment at a high temperature. Investigation of crystal phase, structural, compositional characteristics of the sintered SDC/substrate specimens proved that a uniform and dense SDC film with an average grain size of ~500 nm spread over on the surface of substrate, and a correct cubic fluorite phase has been formed. Gradient variation presented in both the microstructure of SDC/substrate and the component contents over the cross-section of the SDC/substrate. Numerical analysis on the EDX data presented three component parts were sectioned, including a dense SDC layer of ~25 μm, a uniform filling layer of ~140 μm and a successive diffuse layer stretching as far as ~250 μm. Effect of bulk pH on thickness and surface microstructure of SDC film has been discussed. This microstructure-optimization approach will be applicable to fabricate electrode-supported gradient electrolyte films for IT-SOFC. Copyright © 2010 Elsevier B.V. All rights reserved.

  15. Quantitative produced water analysis using mobile 1H NMR

    Science.gov (United States)

    Wagner, Lisabeth; Kalli, Chris; Fridjonsson, Einar O.; May, Eric F.; Stanwix, Paul L.; Graham, Brendan F.; Carroll, Matthew R. J.; Johns, Michael L.

    2016-10-01

    Measurement of oil contamination of produced water is required in the oil and gas industry to the (ppm) level prior to discharge in order to meet typical environmental legislative requirements. Here we present the use of compact, mobile 1H nuclear magnetic resonance (NMR) spectroscopy, in combination with solid phase extraction (SPE), to meet this metrology need. The NMR hardware employed featured a sufficiently homogeneous magnetic field, such that chemical shift differences could be used to unambiguously differentiate, and hence quantitatively detect, the required oil and solvent NMR signals. A solvent system consisting of 1% v/v chloroform in tetrachloroethylene was deployed, this provided a comparable 1H NMR signal intensity for the oil and the solvent (chloroform) and hence an internal reference 1H signal from the chloroform resulting in the measurement being effectively self-calibrating. The measurement process was applied to water contaminated with hexane or crude oil over the range 1-30 ppm. The results were validated against known solubility limits as well as infrared analysis and gas chromatography.

  16. NMR imaging in theory and in practice

    International Nuclear Information System (INIS)

    Taylor, D.G.; Inamdar, R.; Bushell, M.-C.

    1988-01-01

    This review, completed in 1988, covers basic theory, NMR imaging (selective excitation, image acquisition and reconstruction, spatial localisation of NMR parameters, factors affecting accuracy of NMR parameters, image quality considerations), and NMR imaging in clinical practice. The authors conclude that current NMR technology enables one to image the human body with a clarity matching x-ray CT, in terms of contrast differentiation in soft tissues being superior. (U.K.)

  17. Ammonia diffusion through Nalophan™ bags.

    Science.gov (United States)

    Sironi, Selena; Eusebio, Lidia; Dentoni, Licinia; Capelli, Laura; Del Rosso, Renato

    2014-01-01

    The aim of the work is to verify the diffusion rate of ammonia through the Nalophan™ film that constitutes the sampling bag, considering storage times ranging from 1 to 26 h. The ammonia decay over time was evaluated using gas-chromatography for the quantification of ammonia concentration inside the bag. The research assesses the roles of both of ammonia and water concentration gradients at the polymeric film interface on the diffusion process. The results show that both the ammonia concentration gradient and, in a less pronounced way, the water concentration gradient are the main 'engines' of ammonia diffusion. Double bags seem to represent a simple solution for preventing ammonia losses during storage. Another interesting result concerns the role of the bag surface on the ammonia diffusion rate: the higher the surface/volume (S/V) ratio, the higher the ammonia diffusion rate through the polymeric film.

  18. Spin diffusion in Fermi gases

    DEFF Research Database (Denmark)

    Bruun, Georg

    2011-01-01

    We examine spin diffusion in a two-component homogeneous Fermi gas in the normal phase. Using a variational approach, analytical results are presented for the spin diffusion coefficient and the related spin relaxation time as a function of temperature and interaction strength. For low temperatures......, strong correlation effects are included through the Landau parameters which we extract from Monte Carlo results. We show that the spin diffusion coefficient has a minimum for a temperature somewhat below the Fermi temperature with a value that approaches the quantum limit ~/m in the unitarity regime...

  19. NMR studies of phase behaviour in polyacrylonitrile solutions

    International Nuclear Information System (INIS)

    Golightly, J.A.

    1998-10-01

    The aim of the thesis was to study the phase behaviour of aqueous polyacrylonitrile/NaSCN solutions using a variety of nuclear magnetic resonance techniques. Polyacrylonitrile (PAN) is the basis of the acrylic fibre industry, as such fibres contain at least 85% PAN. Despite this industrial importance, the available literature describing the phase behaviour of PAN in solution is far from comprehensive. Bulk 1 H NMR relaxation measurements were carried out over a wide range of concentrations and temperatures to probe the molecular dynamics of the PAN and water molecules. The relaxation data was found to be biexponential decay for all samples, the relative amplitudes of which were shown to be equal to the ratio of PAN protons to water protons. Both species were found to be in the regime of rapid molecular motion. Bulk 1 H NMR self diffusion measurements, using the PFGSTE technique, exhibited a bi-exponential decay of the echo amplitudes. By careful selection of the observation time, Δ, it was possible to independently probe the water and PAN translational diffusion. A background gradient, resulting from inhomogeneities of the magnetic field, complicated the analysis of the data and a novel polynomial least squares fitting procedure was devised to overcome this effect. The measured attenuation of the water diffusion coefficients (D∼10 -6 -10 -5 cm 2 s -1 ) with increasing PAN volume fraction was modelled according to various theories, including free volume and scaling laws. The study of the PAN diffusion coefficient (D∼10 -7 -10 -6 cm 2 s -1 ) was limited by the experimental constraints of the NMR spectrometer. A 1 H NMR one-dimensional imaging technique was used to study the non-solvent induced phase separation (coagulation) of a PAN solution. The time dependence of the measured profiles allowed observation of the coagulation process. A diffusion model was developed to fit the experimental data using a semi-infinite diffusion framework. The fitting parameters

  20. Proton NMR relaxation in hydrous melts

    International Nuclear Information System (INIS)

    Braunstein, J.; Bacarella, A.L.; Benjamin, B.M.; Brown, L.L.; Girard, C.

    1976-01-01

    Pulse and continuous wave NMR measurements are reported for protons in hydrous melts of calcium nitrate at temperatures between -4 and 120 0 C. Although measured in different temperature ranges, spin-lattice (T 1 ) and spin-spin (T 2 ) relaxation times appear to be nearly equal to each other and proportional to the self-diffusion coefficients of solute metal cations such as Cd 2+ . At temperatures near 50 0 C, mean Arrhenius coefficients Δ H/sub T 1 / (kcal/mol) are 7.9, 7.3, and 4.8, respectively, for melts containing 2.8, 4.0, and 8.0 moles of water per mole of calcium nitrate, compared to 4.6 kcal/mol for pure water. Temperature dependence of T 1 and T 2 in Ca(NO 3 ) 2 -2.8 H 2 O between -4 and 120 0 C are non-Arrhenius and can be represented by a Fulcher-type equation with a ''zero mobility temperature'' (T 0 ) of 225 0 K, close to the value of T 0 for solute diffusion, electrical conductance and viscosity. Resolution of the relaxation rates into correlation times for intramolecular (rotational) and intermolecular (translational) diffusional motion is discussed in terms of the Bloembergen-Purcell-Pound and more recent models for dipolar relaxation

  1. Medical applications of NMR imaging and NMR spectroscopy with stable isotopes. Summary

    International Nuclear Information System (INIS)

    Matwiyoff, N.A.

    1983-01-01

    The current status of NMR imaging and NMR spectroscopy are summarized. For the most part examples from the March 1983 Puerto Rico symposium are used to illustrate the utility of NMR in medicine. 18 refs., 5 figs

  2. Medical applications of NMR imaging and NMR spectroscopy with stable isotopes. Summary

    Energy Technology Data Exchange (ETDEWEB)

    Matwiyoff, N.A.

    1983-01-01

    The current status of NMR imaging and NMR spectroscopy are summarized. For the most part examples from the March 1983 Puerto Rico symposium are used to illustrate the utility of NMR in medicine. 18 refs., 5 figs.

  3. NMR: nuclear magnetic resonance imaging; IRM: imagerie par resonance magnetique

    Energy Technology Data Exchange (ETDEWEB)

    Doyon, D

    2003-07-01

    NMR has become an indispensable technique in medical imaging. Thanks to its innocuity, many informations are revealed by this technique in particular in the study of the cardiovascular system, of the pelvis, liver, breast of children and pregnant women. Thanks to its permanent improvements, NMR allows today a morphological but also a functional analysis of new domains, like the cerebral functions, the spectroscopy, the study of cerebral-spinal liquid fluxes, the diffusion and perfusion in tissues. The aim of this book is double: first to give to the reader the indispensable physical, technical and semeiological bases for the understanding of NMR, and to make a status of the most recent advances of this examination technique. This 4. edition has been fully updated in order to integrate the most recent technical advances, in particular in the head and osteo-articular domains. After an historical and technical recall, the different domains of application are presented according to a didactical scheme: description of techniques and preparation of examinations, presentation of normal results and of main pathologies. The interventional and functional NMR are the object of a more specific development. The main protocols of exploration with respect to body part and to the pathology are developed at the end of the book. (J.S.)

  4. Determination of the diffusion coefficient of hydrogen ion in hydrogels.

    Science.gov (United States)

    Schuszter, Gábor; Gehér-Herczegh, Tünde; Szűcs, Árpád; Tóth, Ágota; Horváth, Dezső

    2017-05-17

    The role of diffusion in chemical pattern formation has been widely studied due to the great diversity of patterns emerging in reaction-diffusion systems, particularly in H + -autocatalytic reactions where hydrogels are applied to avoid convection. A custom-made conductometric cell is designed to measure the effective diffusion coefficient of a pair of strong electrolytes containing sodium ions or hydrogen ions with a common anion. This together with the individual diffusion coefficient for sodium ions, obtained from PFGSE-NMR spectroscopy, allows the determination of the diffusion coefficient of hydrogen ions in hydrogels. Numerical calculations are also performed to study the behavior of a diffusion-migration model describing ionic diffusion in our system. The method we present for one particular case may be extended for various hydrogels and diffusing ions (such as hydroxide) which are relevant e.g. for the development of pH-regulated self-healing mechanisms and hydrogels used for drug delivery.

  5. Diffuse scattering

    Energy Technology Data Exchange (ETDEWEB)

    Kostorz, G. [Eidgenoessische Technische Hochschule, Angewandte Physik, Zurich (Switzerland)

    1996-12-31

    While Bragg scattering is characteristic for the average structure of crystals, static local deviations from the average lattice lead to diffuse elastic scattering around and between Bragg peaks. This scattering thus contains information on the occupation of lattice sites by different atomic species and on static local displacements, even in a macroscopically homogeneous crystalline sample. The various diffuse scattering effects, including those around the incident beam (small-angle scattering), are introduced and illustrated by typical results obtained for some Ni alloys. (author) 7 figs., 41 refs.

  6. NMR relaxometry as a versatile tool to study Li ion dynamics in potential battery materials.

    Science.gov (United States)

    Kuhn, A; Kunze, M; Sreeraj, P; Wiemhöfer, H D; Thangadurai, V; Wilkening, M; Heitjans, P

    2012-04-01

    NMR spin relaxometry is known to be a powerful tool for the investigation of Li(+) dynamics in (non-paramagnetic) crystalline and amorphous solids. As long as significant structural changes are absent in a relatively wide temperature range, with NMR spin-lattice (as well as spin-spin) relaxation measurements information on Li self-diffusion parameters such as jump rates and activation energies are accessible. Diffusion-induced NMR relaxation rates are governed by a motional correlation function describing the ion dynamics present. Besides the mean correlation rate of the dynamic process, the motional correlation function (i) reflects deviations from random motion (so-called correlation effects) and (ii) gives insights into the dimensionality of the hopping process. In favorable cases, i.e., when temperature- and frequency-dependent NMR relaxation rates are available over a large dynamic range, NMR spin relaxometry is able to provide a comprehensive picture of the relevant Li dynamic processes. In the present contribution, we exemplarily present two recent variable-temperature (7)Li NMR spin-lattice relaxation studies focussing on Li(+) dynamics in crystalline ion conductors which are of relevance for battery applications, viz. Li(7) La(3)Zr(2)O(12) and Li(12)Si(7). Copyright © 2012 Elsevier Inc. All rights reserved.

  7. Apparatus for diffusion separation

    International Nuclear Information System (INIS)

    Nierenberg, W.A.

    1976-01-01

    A diffuser separator apparatus is described which comprises a plurality of flow channels in a single stage. Each of said channels has an inlet port and an outlet port and a constant cross sectional area between said ports. At least a portion of the defining surface of each of said channels is a diffusion separation membrane, and each of said channels is a different cross sectional area. Means are provided for connecting said channels in series so that each successive channel of said series has a smaller cross sectional area than the previous channel of said series. Also provided are a source of gaseous mixture, individual means for flowing said gaseous mixture to the inlet port of each of said channels, gas receiving and analyzing means, individual means for flowing gas passing from each of said outlet ports and means for flowing gas passing through said membranes to said receiving and analyzing means, and individual means for connecting the outlet port of each channel with the inlet port of the channel having the next smaller cross sectional area

  8. Relativistic diffusion.

    Science.gov (United States)

    Haba, Z

    2009-02-01

    We discuss relativistic diffusion in proper time in the approach of Schay (Ph.D. thesis, Princeton University, Princeton, NJ, 1961) and Dudley [Ark. Mat. 6, 241 (1965)]. We derive (Langevin) stochastic differential equations in various coordinates. We show that in some coordinates the stochastic differential equations become linear. We obtain momentum probability distribution in an explicit form. We discuss a relativistic particle diffusing in an external electromagnetic field. We solve the Langevin equations in the case of parallel electric and magnetic fields. We derive a kinetic equation for the evolution of the probability distribution. We discuss drag terms leading to an equilibrium distribution. The relativistic analog of the Ornstein-Uhlenbeck process is not unique. We show that if the drag comes from a diffusion approximation to the master equation then its form is strongly restricted. The drag leading to the Tsallis equilibrium distribution satisfies this restriction whereas the one of the Jüttner distribution does not. We show that any function of the relativistic energy can be the equilibrium distribution for a particle in a static electric field. A preliminary study of the time evolution with friction is presented. It is shown that the problem is equivalent to quantum mechanics of a particle moving on a hyperboloid with a potential determined by the drag. A relation to diffusions appearing in heavy ion collisions is briefly discussed.

  9. Nanogram-scale preparation and NMR analysis for mass-limited small volatile compounds.

    Directory of Open Access Journals (Sweden)

    Satoshi Nojima

    2011-03-01

    Full Text Available Semiochemicals are often produced in infinitesimally small quantities, so their isolation requires large amounts of starting material, not only requiring significant effort in sample preparation, but also resulting in a complex mixture of compounds from which the bioactive compound needs to be purified and identified. Often, compounds cannot be unambiguously identified by their mass spectra alone, and NMR analysis is required for absolute chemical identification, further exacerbating the situation because NMR is relatively insensitive and requires large amounts of pure analyte, generally more than several micrograms. We developed an integrated approach for purification and NMR analysis of <1 µg of material. Collections from high performance preparative gas-chromatography are directly eluted with minimal NMR solvent into capillary NMR tubes. With this technique, (1H-NMR spectra were obtained on 50 ng of geranyl acetate, which served as a model compound, and reasonable H-H COSY NMR spectra were obtained from 250 ng of geranyl acetate. This simple off-line integration of preparative GC and NMR will facilitate the purification and chemical identification of novel volatile compounds, such as insect pheromones and other semiochemicals, which occur in minute (sub-nanogram, and often limited, quantities.

  10. NMR-based milk metabolomics

    DEFF Research Database (Denmark)

    Sundekilde, Ulrik; Larsen, Lotte Bach; Bertram, Hanne Christine S.

    2013-01-01

    and processing capabilities of bovine milk is closely associated to milk composition. Metabolomics is ideal in the study of the low-molecular-weight compounds in milk, and this review focuses on the recent nuclear magnetic resonance (NMR)-based metabolomics trends in milk research, including applications linking...... the milk metabolite profiling with nutritional aspects, and applications which aim to link the milk metabolite profile to various technological qualities of milk. The metabolite profiling studies encompass the identification of novel metabolites, which potentially can be used as biomarkers or as bioactive...... compounds. Furthermore, metabolomics applications elucidating how the differential regulated genes affects milk composition are also reported. This review will highlight the recent advances in NMR-based metabolomics on milk, as well as give a brief summary of when NMR spectroscopy can be useful for gaining...

  11. Further development of deuterium NMR

    International Nuclear Information System (INIS)

    Al-azzawi, N.A.Y.

    1983-01-01

    In this work dichlorotris (triphenylphosphine) ruthenium (11) (RuCl 2 (PPh 3 ) 3 ) coupled with the deuterium source D 2 O was used as a catalyst for the study of the isotopic exchange reaction in alcohols and amines deuterium labelling of several primary and secondary alcohols have been made, and the position of labelling in the molecule was established by comparison of the 1 H NMR and 2 H NMR spectra while the relative distribution of deuterium was obtained from 2 H NMR spectrum. An oxidation-reduction mechanism was proposed for the hydrogen-deuterium exchange process, since in case of secondary alcohol the anticipated intermediate product (Ketone) was separated and identified. The relative distribution of deuterium was found to be time-dependent. Moreover the labelling in the B. Position was found to increase up on the addition of sodium hydroxide to the reaction mixture. 80 tabs.; 290 figs.; 124 refs

  12. Flow NMR of complex systems

    Energy Technology Data Exchange (ETDEWEB)

    Scheler, U.; Bagusat, F. [Leibniz-Inst. fuer Polymerforschung Dresden e.V., Dresden (Germany)

    2007-07-01

    A combination of NMR imaging and pulsed field gradient (PFG) NMR is applied to investigate flow. NMR longitudinal relaxation is used to generate contrast in a binary system of oil and water. The spatial distribution of each component and its flow pattern are measured separately. As a model a Couette cell with an additional area of high shear is used as model geometry. While a flat smooth interface is found at rest, the interface become bent under rotation, finally emulgation starts because of the velocity differences between the components. Flow from a submillimeter tube into a wide box and out of the box is investigated as well to understand shear-induced mixing and demixing. (orig.)

  13. Large renewables - Hydrogen energy systems: pipelines for gathering and transmission from windpower and other diffuse, dispersed energy sources, as hydrogen gas

    International Nuclear Information System (INIS)

    Leighty, W.; Hirata, M.; O'Hashi, K.; Asahi, H.; Benoit, J.; Keith, G.

    2003-01-01

    We need many large new transmission systems for gathering and delivering Earth's vast, diverse, dispersed, renewable energy resources. Both high voltage direct current electricity (HVDC) and gaseous hydrogen (GH2) pipeline are attractive, complementary, and competitive. New natural gas (NG) transmission pipeline systems may be built with line pipe capable of 100% GH2, for future conversion to 'renewables-hydrogen service' (RHS) at up to 100% GH2, to bring energy from windpower, biomass and other renewable sources to market as, and after, the NG is depleted. Sour-service X65 or composite reinforced line pipe (CRLP) may be well-suited. Since well-constructed and well-maintained pipelines have very long service lives, the increased investment required for construction with RHS-capable line pipe may be justified. These pipeline systems may be retrofitted with compressors, meters, valves and other fittings necessary for future RHS, for the nascent 'renewables-hydrogen economy'. Although industry has been safely pipelining GH2 for decades, these systems are not designed for frequently-varying pressure and for large-scale, long-distance, cross-country collection, from many dispersed nodes from diverse sources, as required by RHS. No pipelines for such service exist. The public is unfamiliar with hydrogen and anxious about its safety. Thus, a new pilot-scale R and D and demonstration pipeline system, an International Renewable Hydrogen Transmission Demonstration Facility (IRHTDF), is needed. (author)

  14. Hydrogen diffusion in Zircon

    Science.gov (United States)

    Ingrin, Jannick; Zhang, Peipei

    2016-04-01

    Hydrogen mobility in gem quality zircon single crystals from Madagascar was investigated through H-D exchange experiments. Thin slices were annealed in a horizontal furnace flushed with a gas mixture of Ar/D2(10%) under ambient pressure between 900 ° C to 1150 ° C. FTIR analyses were performed on oriented slices before and after each annealing run. H diffusion along [100] and [010] follow the same diffusion law D = D0exp[-E /RT], with log D0 = 2.24 ± 1.57 (in m2/s) and E = 374 ± 39 kJ/mol. H diffusion along [001] follows a slightly more rapid diffusion law, with log D0 = 1.11 ± 0.22 (in m2/s) and E = 334 ± 49 kJ/mol. H diffusion in zircon has much higher activation energy and slower diffusivity than other NAMs below 1150 ° C even iron-poor garnets which are known to be among the slowest (Blanchard and Ingrin, 2004; Kurka et al. 2005). During H-D exchange zircon incorporates also deuterium. This hydration reaction involves uranium reduction as it is shown from the exchange of U5+ and U4+ characteristic bands in the near infrared region during annealing. It is the first time that a hydration reaction U5+ + OH- = U4+ + O2- + 1/2H2, is experimentally reported. The kinetics of deuterium incorporation is slightly slower than hydrogen diffusion, suggesting that the reaction is limited by hydrogen mobility. Hydrogen isotopic memory of zircon is higher than other NAMs. Zircons will be moderately retentive of H signatures at mid-crustal metamorphic temperatures. At 500 ° C, a zircon with a radius of 300 μm would retain its H isotopic signature over more than a million years. However, a zircon is unable to retain this information for geologically significant times under high-grade metamorphism unless the grain size is large enough. Refrences Blanchard, M. and Ingrin, J. (2004) Hydrogen diffusion in Dora Maira pyrope. Physics and Chemistry of Minerals, 31, 593-605. Kurka, A., Blanchard, M. and Ingrin, J. (2005) Kinetics of hydrogen extraction and deuteration in

  15. Gas-induced susceptibility artefacts on diffusion-weighted MRI of the rectum at 1.5 T - Effect of applying a micro-enema to improve image quality.

    Science.gov (United States)

    van Griethuysen, Joost J M; Bus, Elyse M; Hauptmann, Michael; Lahaye, Max J; Maas, Monique; Ter Beek, Leon C; Beets, Geerard L; Bakers, Frans C H; Beets-Tan, Regina G H; Lambregts, Doenja M J

    2018-02-01

    Assess whether application of a micro-enema can reduce gas-induced susceptibility artefacts in Single-shot Echo Planar Imaging (EPI) Diffusion-weighted imaging of the rectum at 1.5 T. Retrospective analysis of n = 50 rectal cancer patients who each underwent multiple DWI-MRIs (1.5 T) from 2012 to 2016 as part of routine follow-up during a watch-and-wait approach after chemoradiotherapy. From March 2014 DWI-MRIs were routinely acquired after application of a preparatory micro-enema (Microlax ® ; 5 ml; self-administered shortly before acquisition); before March 2014 no bowel preparation was given. In total, 335 scans were scored by an experienced reader for the presence/severity of gas-artefacts (on b1000 DWI), ranging from 0 (no artefact) to 5 (severe artefact). A score ≥3 (moderate-severe) was considered a clinically relevant artefact. A random sample of 100 scans was re-assessed by a second independent reader to study inter-observer effects. Scores were compared between the scans performed without and with a preparatory micro-enema using univariable and multivariable logistic regression taking into account potential confounding factors (age/gender, acquisition parameters, MRI-hardware, rectoscopy prior to MRI). Clinically relevant gas-artefacts were seen in 24.3% (no micro-enema) vs. 3.7% (micro-enema), odds ratios were 0.118 in univariable and 0.230 in multivariable regression (P = 0.0005 and 0.0291). Mean severity score (±SD) was 1.19 ± 1.71 (no-enema) vs 0.32 ± 0.77 (micro-enema), odds ratios were 0.321 (P < 0.0001) and 0.489 (P = 0.0461) in uni- and multivariable regression, respectively. Inter-observer agreement was excellent (κ0.85). Use of a preparatory micro-enema shortly before rectal EPI-DWI examinations performed at 1.5 T MRI significantly reduces both the incidence and severity of gas-induced artefacts, compared to examinations performed without bowel preparation. Copyright © 2017 Elsevier B.V. All rights

  16. NMR spectroscopic study and DFT calculations of GIAO NMR ...

    African Journals Online (AJOL)

    1H, 13C NMR chemical shifts and 1JCH coupling constants of danon have been calculated by means of B3LYP density functional method with 6-311++G(d,p) basis set. Comparison between the experimental and the theoretical results indicates that density functional B3LYP method is able to provide satisfactory results for ...

  17. NMR spectrometry to study aging processes in soil organic matter

    Science.gov (United States)

    Bertmer, M.; Jaeger, A.; Schwarz, J.; Schaumann, G. E.

    2009-04-01

    One of the most valuable ecological potentials of soil organic matter (SOM) is based on its highly dynamic nature, which enables flexible reactions to a variety of environmental conditions. SOM controls a large part of the processes occurring at biogeochemical interfaces in soil and may contribute to sequestration of organic chemicals. This contribution focuses weak intermolecular interactions in soil organic matter studied by NMR spectroscopy. Our central hypothesis is that SOM undergoes physicochemical matrix aging, driven by dynamics in intermolecular cross-linking via bridges of water molecules. In this contribution, aging processes occurring in soil organic matter in heating-cooling cycles are monitored with proton NMR relaxation, proton and deuterium wideline NMR with and without Hahn-Echoes and wideline separation techniques. Furthermore, spin-diffusion experiments, multidimensional 13C-1H experiments including the 2D WISE technique and 2D correlation experiments have been employed to deduce connectivities in SOM structure especially in connection with bridging of functional groups, e. g. carboxyl groups and bound water and the hypothesized water bridges. The results indicate changes in NMR behavior induced by manipulations of thermal history, and they suggest an increase in side-chain mobility upon heating that remains after cooling. Side-chain mobility slowly decreases again within at least one to two weeks. Our current results strongly suggest even longer aging periods. This observation supports the hypothesis that water molecules bridge molecular segments of SOM. The bridges may be easily disrupted, while re-formation is slow due to diffusion limitation in the SOM matrix.

  18. Solid state NMR studies of materials for energy technology

    Science.gov (United States)

    Nambukara Kodiweera Arachchilage, Chandana K.

    Presented in this dissertation are NMR investigations of the dynamical and structural properties of materials for energy conversion and storage devices. 1H and 2H NMR was used to study water and methanol transportation in sulfonated poly(arylene ether ketone) based membranes for direct methanol fuel cells (DMFC). These results are presented in chapter 3. The amount of liquid in the membrane and ion exchange capacity (IEC) are two main factors that govern the dynamics in these membranes. Water and methanol diffusion coefficients also are comparable. Chapters 4 and 5 are concerned with 31P and 1H NMR in phosphoric acid doped PBI membranes (para-PBI and 2OH-PBI) as well as PBI membranes containing ionic liquids (H3PO4/PMIH2PO4/PBI). These membranes are designed for higher-temperature fuel cell operation. In general, stronger short and long range interactions were observed in the 2OH-PBI matrix, yielding reduced proton transport compared to that of para-PBI. In the case of H3PO4/PMIH2PO 4/PBI, both conductivity and diffusion are higher for the sample with molar ratio 2/4/1. Finally, chapter 6 is devoted to the 31P NMR MAS study of phosphorus-containing structural groups on the surfaces of micro/mesoporous activated carbons. Two spectral features were observed and the narrow feature identifies surface phosphates while the broad component identifies heterogeneous subsurface phosphorus environments including phosphate and more complex structure multiple P-C, P-N and P=N bonds.

  19. NMR data-driven structure determination using NMR-I-TASSER in the CASD-NMR experiment

    OpenAIRE

    Jang, Richard; Wang, Yan; Xue, Zhidong; Zhang, Yang

    2015-01-01

    NMR-I-TASSER, an adaption of the I-TASSER algorithm combining NMR data for protein structure determination, recently joined the second round of the CASD-NMR experiment. Unlike many molecular dynamics-based methods, NMR-I-TASSER takes a molecular replacement-like approach to the problem by first threading the target through the PDB to identify structural templates which are then used for iterative NOE assignments and fragment structure assembly refinements. The employment of multiple templates...

  20. From single to multiple microcoil flow probe NMR and related capillary techniques: a review.

    Science.gov (United States)

    Gökay, Ozan; Albert, Klaus

    2012-01-01

    and drawbacks of different coupled microseparation-capillary NMR spectroscopy techniques, such as capillary high-performance liquid chromatography-NMR spectroscopy, capillary electrophoresis-NMR spectroscopy, and capillary gas chromatography-NMR spectroscopy, are discussed and demonstrated by specific applications. Another subject of discussion is the progress in parallel NMR detection techniques. Furthermore, the applicability and mixing capability of tiny reactor systems, termed "microreactors" or "micromixers," implemented in NMR probes is demonstrated by carbamate- and imine-forming reactions.

  1. Effective Potential for Magnetic Resonance Measurements of Restricted Diffusion

    Directory of Open Access Journals (Sweden)

    Evren Özarslan

    2017-12-01

    Full Text Available The signature of diffusive motion on the NMR signal has been exploited to characterize the mesoscopic structure of specimens in numerous applications. For compartmentalized specimens comprising isolated subdomains, a representation of individual pores is necessary for describing restricted diffusion within them. When gradient waveforms with long pulse durations are employed, a quadratic potential profile is identified as an effective energy landscape for restricted diffusion. The dependence of the stochastic effective force on the center-of-mass position is indeed found to be approximately linear (Hookean for restricted diffusion even when the walls are sticky. We outline the theoretical basis and practical advantages of our picture involving effective potentials.

  2. NMR surprizes with thin slices and strong gradients

    Energy Technology Data Exchange (ETDEWEB)

    Gaedke, Achim; Kresse, Benjamin [Institute of Condensed Matter Physics, Technische Universitaet Darmstadt (Germany); Nestle, Nikolaus

    2008-07-01

    In the context of our work on diffusion-relaxation-coupling in thin excited slices, we perform NMR experiments in static magnetic field gradients up to 200 T/m. For slice thicknesses in the range of 10{mu}m, the frequency bandwidth of the excited slices becomes sufficiently narrow that free induction decays (FIDs) become observable despite the presence of the strong static gradient. The observed FIDs were also simulated using standard methods from MRI physics. Possible effects of diffusion during the FID duration are still minor at this slice thickness in water but might become dominant for smaller slices or more diffusive media. Furthermore, the detailed excitation structure of the RF pulses was studied in profiling experiments over the edge of a plane liquid cell. Side lobe effects to the slices will be discussed along with approaches to control them. The spatial resolution achieved in the profiling experiments furthermore allows the identification of thermal expansion phenomena in the NMR magnet. Measures to reduce the temperature drift problems are presented.

  3. Influences of argon gas shielding on diffusion bonding of Ti-6Al-4V alloy to aluminum; Influencia del argón como gas protector en la difusión durante el proceso de unión de la aleación Ti6Al4V con el aluminio

    Energy Technology Data Exchange (ETDEWEB)

    Akcaa, A.; Gursela, A.

    2017-09-01

    This study presents a diffusion bonding process of commercially pure aluminum to Ti-6Al-4V alloy. Prepared samples were exposed to temperature of 560, 600 and 640 °C for the bonding time of 30, 45 and 60 min at the atmosphere of argon gas and non-argon. Diffusion bonding is a dissimilar metal welding process which can be applied to the materials without causing any physical deformations. The processed samples were also metallographically prepared, optically examined followed by Vickers microhardness test in order to determine joint strength. Scanning Electron Microscopy (SEM) and Energy Dispersive Spectroscopy (EDS) were used in this work to investigate the compositional changes in order to observe the influence of atmosphere shielding in the transition zone. The result of tests and analyses were tried to be compared with the effect of argon shielding. The significant influences have been observed in the argon shielding during diffusion bonding process. [Spanish] Este estudio presenta los procesos de difusión durante la unión de aluminio puro con la aleación Ti6Al4V. Se expusieron probetas a las temperaturas de 560, 600 y 640 ºC durante un tiempo de unión de 30, 45 y 60 min en una atmósfera en presencia y ausencia de gas argón. La unión por difusión es un proceso de soldadura entre metales distintos que puede ser aplicado a los materiales sin causar deformaciones físicas. Las probetas procesadas fueron preparadas también metalográficamente, examinadas por miscroscopía óptica, seguido de ensayos de microdureza Vickers para determinar el límite elástico. Se utilizó microscopía electrónica de barrido (SEM) y espectroscopía de energias dispersivas (EDS) para determinar los cambios en la composición y estudiar la influencia del argón como gas protector en la zona de transición. La influencia más importante se ha observado durante el proceso de difusión en estado sólido.

  4. Push-through Direction Injectin NMR Automation

    Science.gov (United States)

    Nuclear magnetic resonance (NMR) and mass spectrometry (MS) are the two major spectroscopic techniques successfully used in metabolomics studies. The non-invasive, quantitative and reproducible characteristics make NMR spectroscopy an excellent technique for detection of endogeno...

  5. Developments in Solid-State NMR

    Indian Academy of Sciences (India)

    reso/020/11/1040-1052. Keywords. NMR; solid state; anisotropy; magic angle spinning dipolar coupling; quadrupolar coupling; chemical shift. Author Affiliations. K V Ramanathan1. NMR Research Center, Indian Institute of Science, Bengaluru ...

  6. Understanding NMR: self-learning manual

    International Nuclear Information System (INIS)

    Kastler, B.

    2000-01-01

    This initiation to the principles of nuclear magnetic resonance (NMR) imaging allows to understand the essential basic physical principles for the realization and the interpretation of an NMR examination. (J.S.)

  7. Diffusion bonding

    International Nuclear Information System (INIS)

    Anderson, R.C.

    1976-01-01

    A method is described for joining beryllium to beryllium by diffusion bonding. At least one surface portion of at least two beryllium pieces is coated with nickel. A coated surface portion is positioned in a contiguous relationship with another surface portion and subjected to an environment having an atmosphere at a pressure lower than ambient pressure. A force is applied on the beryllium pieces for causing the contiguous surface portions to abut against each other. The contiguous surface portions are heated to a maximum temperature less than the melting temperature of the beryllium, and the applied force is decreased while increasing the temperature after attaining a temperature substantially above room temperature. A portion of the applied force is maintained at a temperature corresponding to about maximum temperature for a duration sufficient to effect the diffusion bond between the contiguous surface portions

  8. Development of a coupled diffusion denuder system combined with gas chromatography/mass spectrometry for the separation and quantification of molecular iodine and the activated iodine compounds iodine monochloride and hypoiodous acid in the marine atmosphere.

    Science.gov (United States)

    Huang, Ru-Jin; Hoffmann, Thorsten

    2009-03-01

    This study concerns the development of a coupled diffusion denuder system capable of separating and quantifying gaseous molecular iodine (I(2)) and two other highly reactive iodine species, ICl and HOI, which are collectively named activated iodine compounds (AIC). Both I(2) and AIC are key species in the atmospheric chemistry of iodine. 1,3,5-Trimethoxybenzene (1,3,5-TMB)- and alpha-cyclodextrin/(129)I(-) (alpha-CD/(129)I(-))-coated denuders proved to be suitable for the collection of gaseous AIC and I(2), respectively. The experimental collection efficiencies for AIC (tested as ICl) and I(2) agreed well with the theoretical values for gas flow rates in the range between 300 and 1800 mL min(-1). The coupled denuder system (1,3,5-TMB-coated denuder as front-denuder coupled upstream of an alpha-CD/(129)I(-)-coated denuder) was applied successfully to separate test gas mixtures of ICl and I(2) at various mixing ratios in the laboratory. The operation of both denuder systems was demonstrated to be independent of relative humidity (0-100%) and storage period (at least 2 weeks prior to and after sampling). Detection limits were achieved at sub-parts-per-trillion-by-volume (sub-pptv) level. The presented method provides a reliable and practical approach for the speciation of gaseous iodine compounds. In addition, we report for the first time ambient air measurements of AIC mixing ratios, carried out at the atmospheric research station in Mace Head, Ireland. A maximum concentration of AIC of 30.2 pptv was observed for nighttime measurements and 6.0 pptv for daytime measurements. A similar diurnal pattern was found for I(2) with an average concentration level of 23.2 pptv during daytime and 85.1 pptv during nighttime, indicating a strong correlation with AIC.

  9. Fourier transform n.m.r. spectroscopy

    International Nuclear Information System (INIS)

    Shaw, D.

    1976-01-01

    This book is orientated to techniques rather than applications. The basic theory of n.m.r. is dealt with in a unified approach to the Fourier theory. The middle section of the book concentrates on the practical aspects of Fourier n.m.r., both instrumental and experimental. The final chapters briefly cover general application of n.m.r., but concentrate strongly on those areas where Fourier n.m.r. can give information which is not available by conventional techniques

  10. High resolution NMR theory and chemical applications

    CERN Document Server

    Becker, Edwin D

    1969-01-01

    High Resolution NMR: Theory and Chemical Applications focuses on the applications of nuclear magnetic resonance (NMR), as well as chemical shifts, lattices, and couplings. The book first offers information on the theory of NMR, including nuclear spin and magnetic moment, spin lattice relaxation, line widths, saturation, quantum mechanical description of NMR, and ringing. The text then ponders on instrumentation and techniques and chemical shifts. Discussions focus on the origin of chemical shifts, reference compounds, empirical correlations of chemical shifts, modulation and phase detection,

  11. Structures of Biomolecules by NMR Spectroscopy

    Indian Academy of Sciences (India)

    IAS Admin

    solution makes NMR more suitable for studying the dynamic behavior of macromolecules. The first high resolution protein structure by NMR spectroscopy was carried out in mid-1980s [3]. Before the beginning of this millennium, NMR spectroscopy was limited to solving 3D struc- tures of proteins with molecular masses less ...

  12. Development of Two-Dimensional NMR

    Indian Academy of Sciences (India)

    IAS Admin

    The development of Fourier transform NMR in the mid. 1960's, did parallel processing of the collection of NMR data, increased the signal/noise ratio by two orders of magnitude and made it possible to record the proton NMR spectra of small proteins which contain hundreds of resonances. The assignment of these ...

  13. Polymers under mechanical stress- an NMR investigation

    Energy Technology Data Exchange (ETDEWEB)

    Boehme, Ute; Scheler, Ulrich [Leibniz Institute of Polymer Research Dresden (Germany); Xu, Bo; Leisen, Johannes; Beckham, Haskell W. [Georgia Institute of Technology, Atlanta, Georgia (United States)

    2010-07-01

    Low-field NMR using permanent magnets in Halbach arrangements permit NMR investigation without the limits present in high-field NMR. The lower field in conjunction with confined stray field permit the application of NMR, in particular relaxation NMR in a stretching apparatus and a rheometer. Crystalline and amorphous fraction of semi-crystalline polymers are distinguished by their transverse relaxation times. Upon mechanical load the relaxation times of the amorphous fraction changes as seen in in-situ measurements on polypropylene rods. During the formation of a neck the crystalline fraction becomes more prominent.

  14. NMR characterisation and transdermal drug delivery potential of microemulsion systems

    DEFF Research Database (Denmark)

    Kreilgaard, Mads; Pedersen, E J; Jaroszewski, J W

    2000-01-01

    The purpose of this study was to investigate the influence of structure and composition of microemulsions (Labrasol/Plurol Isostearique/isostearylic isostearate/water) on their transdermal delivery potential of a lipophilic (lidocaine) and a hydrophilic model drug (prilocaine hydrochloride......), and to compare the drug delivery potential of microemulsions to conventional vehicles. Self-diffusion coefficients determined by pulsed-gradient spin-echo NMR spectroscopy and T(1) relaxation times were used to characterise the microemulsions. Transdermal flux of lidocaine and prilocaine hydrochloride through...... lipophilic and hydrophilic compounds. The microemulsions increased transdermal flux of lidocaine up to four times compared to a conventional oil-in-water emulsion, and that of prilocaine hydrochloride almost 10 times compared to a hydrogel. A correlation between self-diffusion of the drugs in the vehicles...

  15. Molecular mass estimation of derivatized compounds: a PFG NMR study.

    Science.gov (United States)

    Crutchfield, Christopher A; Harris, Douglas J

    2007-06-01

    Pulsed-field gradient (PFG) 1H and 31P NMR methods were developed to quantitatively estimate the molecular mass of compounds, derivatized with either trichloroacetyl isocyanate (TAI) or 2-chloro-4,4,5,5-tetramethyl-1,3,2-dioxaphospholane (chlorophospholane). These agents provide selective analysis with high sensitivity for molecules containing alcohol, amine, carboxylic acid, or thiol functional groups. Tetramethylsilane (TMS) or bisphenol A was used as internal diffusion reference. The empirical relationship between relative diffusivity and molecular mass was established for a set of mono- and difunctional compounds with molecular masses in the range 32-330 g/mol. The utility of the method was demonstrated by analyzing alcohol, phenol, and carboxylic acid components in lubricating oil. Copyright 2007 John Wiley & Sons, Ltd.

  16. PVT Degradation Studies: NMR Analysis

    Energy Technology Data Exchange (ETDEWEB)

    Cho, Herman M. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Kouzes, Richard T. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

    2017-06-06

    Under certain environmental conditions, polyvinyl toluene (PVT) plastic scintillator has been observed to undergo internal fogging. Nuclear magnetic resonance spectroscopy has been used to elucidate the state of water inside the PVT. The deuterium NMR results show that water absorbed by PVT under warm, humid conditions enters several distinct environments, and when the PVT is transferred from incubation to ambient temperature and humidity the water is lost on a time scale of a few hours from these samples. Most of the deuterium NMR peaks can be assigned to bulk liquid water, but almost 35% of the detected signal intensity is contained in a resonance that resembles spectra of water contained in nanometer-scale pores in mesoporous carbon.

  17. Automatic differential analysis of NMR experiments in complex samples.

    Science.gov (United States)

    Margueritte, Laure; Markov, Petar; Chiron, Lionel; Starck, Jean-Philippe; Vonthron-Sénécheau, Catherine; Bourjot, Mélanie; Delsuc, Marc-André

    2017-11-20

    Liquid state nuclear magnetic resonance (NMR) is a powerful tool for the analysis of complex mixtures of unknown molecules. This capacity has been used in many analytical approaches: metabolomics, identification of active compounds in natural extracts, and characterization of species, and such studies require the acquisition of many diverse NMR measurements on series of samples. Although acquisition can easily be performed automatically, the number of NMR experiments involved in these studies increases very rapidly, and this data avalanche requires to resort to automatic processing and analysis. We present here a program that allows the autonomous, unsupervised processing of a large corpus of 1D, 2D, and diffusion-ordered spectroscopy experiments from a series of samples acquired in different conditions. The program provides all the signal processing steps, as well as peak-picking and bucketing of 1D and 2D spectra, the program and its components are fully available. In an experiment mimicking the search of a bioactive species in a natural extract, we use it for the automatic detection of small amounts of artemisinin added to a series of plant extracts and for the generation of the spectral fingerprint of this molecule. This program called Plasmodesma is a novel tool that should be useful to decipher complex mixtures, particularly in the discovery of biologically active natural products from plants extracts but can also in drug discovery or metabolomics studies. Copyright © 2017 John Wiley & Sons, Ltd.

  18. Molecular exchange of n-hexane in zeolite sieves studied by diffusion-diffusion and T{sub 1}-diffusion nuclear magnetic resonance exchange spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Neudert, Oliver; Stapf, Siegfried; Mattea, Carlos, E-mail: carlos.mattea@tu-ilmenau.de [Fachgebiet Technische Physik II/Polymerphysik, Institute of Physics, Technische Universitaet Ilmenau, PO Box 100 565, 98684 Ilmenau (Germany)

    2011-03-15

    Molecular exchange properties and diffusion of n-hexane embedded in a bimodal pore structure with characteristic length scales in the order of nano and micrometres, respectively, formed by packing of zeolite particles, are studied. Two-dimensional (2D) nuclear magnetic resonance (NMR) diffusion correlation experiments together with relaxation-diffusion correlation experiments are performed at low magnetic field using a single-sided NMR scanner. The exchange time covers a range from 10{sup -3} to 10{sup -1} s. The molecular exchange properties are modulated by transport inside the zeolite particles. Different exchange regimes are observed for molecules starting from different positions inside the porous sample. The influence of the spin-lattice relaxation properties of the fluid molecules inside the zeolite particles on the signal intensity is also studied. A Monte Carlo simulation of the exchange process is performed and is used to support the analysis of the experimental data.

  19. Diffusion coefficient in photon diffusion theory

    NARCIS (Netherlands)

    Graaff, R; Ten Bosch, JJ

    2000-01-01

    The choice of the diffusion coefficient to be used in photon diffusion theory has been a subject of discussion in recent publications on tissue optics. We compared several diffusion coefficients with the apparent diffusion coefficient from the more fundamental transport theory, D-app. Application to

  20. Diffusion paths for micro cogeneration using hydrogen in the Netherlands

    NARCIS (Netherlands)

    Taanman, M.; Groot, A.de; Kemp, R.; Verspagen, B.

    2008-01-01

    We estimate the diffusion of micro cogeneration systems (MiCoGen) using hydrogen produced from natural gas in the Netherlands for the 2000-2050 period on the basis of economical factors. The diffusion is important for the transition to a hydrogen economy based on renewables, with natural gas paving

  1. Gas and Gas Pains

    Science.gov (United States)

    ... to produce gas. Often, relatively simple changes in eating habits can lessen bothersome gas. Certain digestive system disorders, ... such as soda and beer, increase stomach gas. Eating habits, such as eating too quickly, drinking through a ...

  2. Analysis of diffusion and relaxation behavior of water in apple parenchyma cells

    NARCIS (Netherlands)

    Sibgatullin, T.; Anisimov, A.V.; Jager, de P.A.

    2007-01-01

    It has been demonstrated by an example of apple parenchymal cells that NMR spectroscopy can be used to analyze the relaxation and diffusion of water molecules in plant cells. With small diffusion times, three relaxation components have been distinguished, which correspond to water in a vacuole, in

  3. METAL DIFFUSION IN SMOOTHED PARTICLE HYDRODYNAMICS SIMULATIONS OF DWARF GALAXIES

    Energy Technology Data Exchange (ETDEWEB)

    Williamson, David; Martel, Hugo [Département de physique, de génie physique et d’optique, Université Laval, Québec, QC, G1V 0A6 (Canada); Kawata, Daisuke, E-mail: david-john.williamson.1@ulaval.ca [Mullard Space Science Laboratory, University College London, Holmbury St Mary, Dorking, Surrey (United Kingdom)

    2016-05-10

    We perform a series of smoothed particle hydrodynamics simulations of isolated dwarf galaxies to compare different metal mixing models. In particular, we examine the role of diffusion in the production of enriched outflows and in determining the metallicity distributions of gas and stars. We investigate different diffusion strengths by changing the pre-factor of the diffusion coefficient, by varying how the diffusion coefficient is calculated from the local velocity distribution, and by varying whether the speed of sound is included as a velocity term. Stronger diffusion produces a tighter [O/Fe]–[Fe/H] distribution in the gas and cuts off the gas metallicity distribution function at lower metallicities. Diffusion suppresses the formation of low-metallicity stars, even with weak diffusion, and also strips metals from enriched outflows. This produces a remarkably tight correlation between “metal mass-loading” (mean metal outflow rate divided by mean metal production rate) and the strength of diffusion, even when the diffusion coefficient is calculated in different ways. The effectiveness of outflows at removing metals from dwarf galaxies and the metal distribution of the gas is thus dependent on the strength of diffusion. By contrast, we show that the metallicities of stars are not strongly dependent on the strength of diffusion, provided that some diffusion is present.

  4. Glass Membrane For Controlled Diffusion Of Gases

    Science.gov (United States)

    Shelby, James E.; Kenyon, Brian E.

    2001-05-15

    A glass structure for controlled permeability of gases includes a glass vessel. The glass vessel has walls and a hollow center for receiving a gas. The glass vessel contains a metal oxide dopant formed with at least one metal selected from the group consisting of transition metals and rare earth metals for controlling diffusion of the gas through the walls of the glass vessel. The vessel releases the gas through its walls upon exposure to a radiation source.

  5. Solid-state NMR of inorganic semiconductors.

    Science.gov (United States)

    Yesinowski, James P

    2012-01-01

    Studies of inorganic semiconductors by solid-state NMR vary widely in terms of the nature of the samples investigated, the techniques employed to observe the NMR signal, and the types of information obtained. Compared with the NMR of diamagnetic non-semiconducting substances, important differences often result from the presence of electron or hole carriers that are the hallmark of semiconductors, and whose theoretical interpretation can be involved. This review aims to provide a broad perspective on the topic for the non-expert by providing: (1) a basic introduction to semiconductor physical concepts relevant to NMR, including common crystal structures and the various methods of making samples; (2) discussions of the NMR spin Hamiltonian, details of some of the NMR techniques and strategies used to make measurements and theoretically predict NMR parameters, and examples of how each of the terms in the Hamiltonian has provided useful information in bulk semiconductors; (3) a discussion of the additional considerations needed to interpret the NMR of nanoscale semiconductors, with selected examples. The area of semiconductor NMR is being revitalized by this interest in nanoscale semiconductors, the great improvements in NMR detection sensitivity and resolution that have occurred, and the current interest in optical pumping and spintronics-related studies. Promising directions for future research will be noted throughout.

  6. Diffusion processes in nuclear materials

    International Nuclear Information System (INIS)

    Agarwala, P.

    1992-01-01

    Diffusion phenomena have played an important role for the materials scientist in improving products in a variety of fields. An ever widening number of diffusion limited processes have found their way into development, fabrication and irradiation of nuclear materials in controlling grain growth, recrystallization, sintering, creep, etc. This volume gives a comprehensive overview on the various diffusion processes involved in nuclear materials, whether they are operative in fissionable or fissile nuclear fuels or in the prospective fuels or clads under passive or reactor operating conditions. Unless this information is well understood, it is not possible to develop or fabricate these fuels to withstand the vagaries of temperature, its gradient or changes in stoichiometry, role of defects and impurities in controlling diffusion processes in nuclear proper evaluation. On radiation, under reactor operating conditions, nuclear fuels undergo fission gas release resulting in precipitation into bubbles, or their venting, or radiation induced re-solution, the effects of this irradiation are also examined in depth. The work will be of value to all those interested in getting clearer insight into different mechanisms of diffusion, latest techniques of studying diffusion phenomena, effect of some the constraints such as impurities (chemical doping or fission product build up), and temperature and stoichiometry changes. (author). reds., figs., tabs

  7. Estudo da degradação de ranitidina via H2O2 eletrogerado/Fenton em um reator eletroquímico com eletrodos de difusão gasosa Study of the ranitidine degradation by H2O2 electrogenerated/Fenton in a electrochemical reactor with gas diffusion electrode

    Directory of Open Access Journals (Sweden)

    André A. G. F. Beati

    2009-01-01

    Full Text Available The study of the electrochemical degradation of the ranitidine was developed using an electrochemical reactor with a gas diffusion electrode (GDE as cathode. The electrolysis experiments was performed at constant current (1 4 A. The process reached a production of 630 mg L-1 of the H2O2 at 7 A. The ranitidine concentrations was reduced in 99.9% (HPLC and chemical oxygen demand (COD was reduced in 86.7% by electro-Fenton.

  8. Gas phase and solution structures of 1-methoxyallenyllithium.

    Science.gov (United States)

    Dixon, Darryl D; Tius, Marcus A; Pratt, Lawrence M

    2009-08-21

    A combined computational and (13)C NMR study was used to determine the solution structures of 1-methoxyallenyllithium. The gas phase calculations indicated that this species is aggregated as a hexamer. The NMR spectra in THF solution, together with the calculated aggregation energies and chemical shifts, are consistent with a dimer-tetramer equilibrium.

  9. An Inversion Recovery NMR Kinetics Experiment

    OpenAIRE

    Williams, Travis J.; Kershaw, Allan D.; Li, Vincent; Wu, Xinping

    2011-01-01

    A convenient laboratory experiment is described in which NMR magnetization transfer by inversion recovery is used to measure the kinetics and thermochemistry of amide bond rotation. The experiment utilizes Varian spectrometers with the VNMRJ 2.3 software, but can be easily adapted to any NMR platform. The procedures and sample data sets in this article will enable instructors to use inversion recovery as a laboratory activity in applied NMR classes and provide research students with a conveni...

  10. Fourier Analysis and Structure Determination. Part II: Pulse NMR and NMR Imaging.

    Science.gov (United States)

    Chesick, John P.

    1989-01-01

    Uses simple pulse NMR experiments to discuss Fourier transforms. Studies the generation of spin echoes used in the imaging procedure. Shows that pulse NMR experiments give signals that are additions of sinusoids of differing amplitudes, frequencies, and phases. (MVL)

  11. Positron diffusion in noble gases

    International Nuclear Information System (INIS)

    Stromswold, D.C.; Lee, Y.K.

    1975-01-01

    Positron diffusion in helium, neon, and argon has been observed and the lifetimes of free positrons in these gases have been calculated on the basis of assumed theoretical behavior. The results are summarized for various gas pressures at room temperature. Reported lifetimes are comparable to the extrapolated values of 1.4 μsec in He and 0.2 μsec in Ar obtained at one atmosphere by Falk. (7 figures, 2 tables) (U.S.)

  12. Solution NMR structure determination of proteins revisited

    International Nuclear Information System (INIS)

    Billeter, Martin; Wagner, Gerhard; Wuethrich, Kurt

    2008-01-01

    This 'Perspective' bears on the present state of protein structure determination by NMR in solution. The focus is on a comparison of the infrastructure available for NMR structure determination when compared to protein crystal structure determination by X-ray diffraction. The main conclusion emerges that the unique potential of NMR to generate high resolution data also on dynamics, interactions and conformational equilibria has contributed to a lack of standard procedures for structure determination which would be readily amenable to improved efficiency by automation. To spark renewed discussion on the topic of NMR structure determination of proteins, procedural steps with high potential for improvement are identified

  13. NMR spectroscopy using liquid crystal solvents

    CERN Document Server

    Emsley, JW

    2013-01-01

    NMR Spectroscopy using Liquid Crystal Solvents covers the importance of using a liquid crystal solvent in NMR to derive nuclear dipolar spin-spin coupling constants. This book is composed of ten chapters, and begins with a brief description of the features and benefits of liquid crystal in NMR spectroscopic analysis. The succeeding chapters deal with the mode of operation of nuclear spin Hamiltonian for partially oriented molecules and the analysis of NMR spectra of partially oriented molecules, as well as the determination of rigid molecule structure. These topics are followed by discussions

  14. NMR in structure-based drug design.

    Science.gov (United States)

    Carneiro, Marta G; Ab, Eiso; Theisgen, Stephan; Siegal, Gregg

    2017-11-08

    NMR spectroscopy is a powerful technique that can provide valuable structural information for drug discovery endeavors. Here, we discuss the strengths (and limitations) of NMR applications to structure-based drug discovery, highlighting the different levels of resolution and throughput obtainable. Additionally, the emerging field of paramagnetic NMR in drug discovery and recent developments in approaches to speed up and automate protein-observed NMR data collection and analysis are discussed. © 2017 The Author(s). Published by Portland Press Limited on behalf of the Biochemical Society.

  15. NMR characterization of pituitary tumors

    International Nuclear Information System (INIS)

    Osbakken, M.; Gonzales, J.; Page, R.

    1984-01-01

    Twelve patients (5 male, 7 female, mean age 37.9 +- 20) with pituitary tumors were extensively evaluated with NMR imaging using a 1.5K gauss resistive magnet. Saturation recovery (SR), inversion recovery (IR) and spin echo (SE) pulse sequences were used for qualitative characterization of the lesions. T/sub 1/ calculations were also performed for brain and pituitary. Tumor histology and endocrine status were correlated with NMR data. All tumors were large with suprasellar extension (6 with prolactin secretion, 6 without). Pituitary T/sub 1/'s ranged from .2 to .64, the mean T/sub 1/ being longer than that of brain (Brain = .4 +- .04; Pit = .48 +- .14). 3 patients with histological evidence of homogeneous adenomas had long T/sub 1/'s (0.58 +- .05). 3 patients with evidence of recent or old hemorhage into the pituitary had much shorter T/sub 1/'s (0.29 +- .12). There was no relationship between prolactin secretion and T/sub 1/. Qualitative T/sub 1/ and T/sub 2/ information can be obtained by using a combination of SR, IR, and SE images. Using this method in the patients, homogeneous adenomas had similar T/sub 1/'s and longer T/sub 2/'s compared to the brain, while patients with bleeds had shorter T/sub 1/'s and T/sub 2/'s. Image T/sub 1/ characteristics correlated well with the calculated T/sub 1/ values. The range of T/sub 1/ (and potentially T/sub 2/) values which occur in apparently similar lesions are most likely due to anatomical and pathophysiological variations in these lesions. It may be ultimately possible to separate different types of pathological processes based on NMR image T/sub 1/ and T/sub 2/ characteristics after careful comparative studies of NMR and histological data are completed. The combination of calculated T/sub 1/ and T/sub 2/ with image T/sub 1/ and T/sub 2/ information may also be useful in further characterization of lesions

  16. Diffusion archeology for diffusion progression history reconstruction.

    Science.gov (United States)

    Sefer, Emre; Kingsford, Carl

    2016-11-01

    Diffusion through graphs can be used to model many real-world processes, such as the spread of diseases, social network memes, computer viruses, or water contaminants. Often, a real-world diffusion cannot be directly observed while it is occurring - perhaps it is not noticed until some time has passed, continuous monitoring is too costly, or privacy concerns limit data access. This leads to the need to reconstruct how the present state of the diffusion came to be from partial diffusion data. Here, we tackle the problem of reconstructing a diffusion history from one or more snapshots of the diffusion state. This ability can be invaluable to learn when certain computer nodes are infected or which people are the initial disease spreaders to control future diffusions. We formulate this problem over discrete-time SEIRS-type diffusion models in terms of maximum likelihood. We design methods that are based on submodularity and a novel prize-collecting dominating-set vertex cover (PCDSVC) relaxation that can identify likely diffusion steps with some provable performance guarantees. Our methods are the first to be able to reconstruct complete diffusion histories accurately in real and simulated situations. As a special case, they can also identify the initial spreaders better than the existing methods for that problem. Our results for both meme and contaminant diffusion show that the partial diffusion data problem can be overcome with proper modeling and methods, and that hidden temporal characteristics of diffusion can be predicted from limited data.

  17. Diffusion in amorphous media

    Science.gov (United States)

    Iotov, Mihail S.

    The goals of this research are twofold: First, to develop methods and tools for studying problems in chemistry, material science and biology, as well as accurate prediction of the properties of structures and materials of importance to those fields. Second, use those tools to apply the methods to practical problems. In terms of methodology development this thesis focuses on two topics: One: Development of a massively parallel computer program to perform electronic, atomic, molecular levels simulations of problems in chemistry, material science and biology. This computer program uses existing and emerging hardware platforms and parallel tools and is based on decades long research in computer modeling and algorithms. We report on that development in Chapter 3. Two: Development of tools for Molecular Dynamics simulation and methods and tools for course-grained meso-scale modeling of transport properties and especially diffusion of gas penetrants in polymers. We have formulated a new method for extracting coarse-grained information from short (0.2-0.5 nanoseconds [ns]) MD simulations and use this in a meso-scale simulation to calculate diffusion constants in polymer matrices. This is a grid-based method, which calculates the average probability of each grid point of being a void and performs constrained and biased Monte Carlo (MC) dynamics to reach much longer time regimes than possible in MD. The MC method mimics the three regimes of mean square deviation (MSD) behavior seen in MD, thus accounting for the proper mobility of the voids and the compressibility of the polymer matrix. Theoretical discussions and justification for the method is presented in chapter 6. Initial results on He diffusion in a low-density polyethylene (PE) matrix are presented in chapter 7. The behavior at different temperatures follows closely the trend observed from calibrating long term MD for this particular system.

  18. Performance of the WeNMR CS-Rosetta3 web server in CASD-NMR

    NARCIS (Netherlands)

    Van Der Schot, Gijs; Bonvin, Alexandre M J J

    We present here the performance of the WeNMR CS-Rosetta3 web server in CASD-NMR, the critical assessment of automated structure determination by NMR. The CS-Rosetta server uses only chemical shifts for structure prediction, in combination, when available, with a post-scoring procedure based on

  19. Access to NMR Spectroscopy for Two-Year College Students: The NMR Site at Trinity University

    Science.gov (United States)

    Mills, Nancy S.; Shanklin, Michael

    2011-01-01

    Students at two-year colleges and small four-year colleges have often obtained their exposure to NMR spectroscopy through "canned" spectra because the cost of an NMR spectrometer, particularly a high-field spectrometer, is prohibitive in these environments. This article describes the design of a NMR site at Trinity University in which…

  20. Detection of Virgin Olive Oil Adulteration Using Low Field Unilateral NMR

    Directory of Open Access Journals (Sweden)

    Zheng Xu

    2014-01-01

    Full Text Available The detection of adulteration in edible oils is a concern in the food industry, especially for the higher priced virgin olive oils. This article presents a low field unilateral nuclear magnetic resonance (NMR method for the detection of the adulteration of virgin olive oil that can be performed through sealed bottles providing a non-destructive screening technique. Adulterations of an extra virgin olive oil with different percentages of sunflower oil and red palm oil were measured with a commercial unilateral instrument, the profile NMR-Mouse. The NMR signal was processed using a 2-dimensional Inverse Laplace transformation to analyze the transverse relaxation and self-diffusion behaviors of different oils. The obtained results demonstrated the feasibility of detecting adulterations of olive oil with percentages of at least 10% of sunflower and red palm oils.