WorldWideScience

Sample records for volatiles mass transport

  1. Effects of grain-scale mass transfer on the transport of volatile organics through sediments: 1. Model development

    Science.gov (United States)

    Cunningham, Jeffrey A.; Werth, Charles J.; Reinhard, Martin; Roberts, Paul V.

    1997-12-01

    In the first paper of this two-paper series, we present a new model that attributes nonequilibrium sorption of moderately hydrophobia, volatile organic compounds to intragranular diffusion. The model differs from those of previous researchers in that for the first time, it combines the following elements: (1) We account for two distinct intragranular rate-limiting diffusion processes, occurring in series and at widely different timescales; (2) we describe the slower of the two processes with a gamma distribution of diffusion rates; and (3) we use the disparity of timescales of the two processes to approximate a boundary condition for the distributed diffusion equation, allowing it to be solved analytically. The slower diffusion process is attributed to activated diffusion through very small pores, called micropores. In paper 2 [Werth et al., this issue] we evaluate the capabilities of the model and use it to interpret experimental results.

  2. Optimal directional volatile transport in retronasal olfaction

    Science.gov (United States)

    Ni, Rui; Michalski, Mark H.; Brown, Elliott; Doan, Ngoc; Zinter, Joseph; Ouellette, Nicholas T.; Shepherd, Gordon M.

    2015-01-01

    The ability of humans to distinguish the delicate differences in food flavors depends mostly on retronasal smell, in which food volatiles entrained into the airway at the back of the oral cavity are transported by exhaled air through the nasal cavity to stimulate the olfactory receptor neurons. Little is known whether food volatiles are preferentially carried by retronasal flow toward the nasal cavity rather than by orthonasal flow into the lung. To study the differences between retronasal and orthonasal flow, we obtained computed tomography (CT) images of the orthonasal airway from a healthy human subject, printed an experimental model using a 3D printer, and analyzed the flow field inside the airway. The results show that, during inhalation, the anatomical structure of the oropharynx creates an air curtain outside a virtual cavity connecting the oropharynx and the back of the mouth, which prevents food volatiles from being transported into the main stream toward the lung. In contrast, during exhalation, the flow preferentially sweeps through this virtual cavity and effectively enhances the entrainment of food volatiles into the main retronasal flow. This asymmetrical transport efficiency is also found to have a nonmonotonic Reynolds number dependence: The asymmetry peaks at a range of an intermediate Reynolds number close to 800, because the air curtain effect during inhalation becomes strongest in this range. This study provides the first experimental evidence, to our knowledge, for adaptations of the geometry of the human oropharynx for efficient transport of food volatiles toward the olfactory receptors in the nasal cavity. PMID:26553982

  3. Optimal directional volatile transport in retronasal olfaction.

    Science.gov (United States)

    Ni, Rui; Michalski, Mark H; Brown, Elliott; Doan, Ngoc; Zinter, Joseph; Ouellette, Nicholas T; Shepherd, Gordon M

    2015-11-24

    The ability of humans to distinguish the delicate differences in food flavors depends mostly on retronasal smell, in which food volatiles entrained into the airway at the back of the oral cavity are transported by exhaled air through the nasal cavity to stimulate the olfactory receptor neurons. Little is known whether food volatiles are preferentially carried by retronasal flow toward the nasal cavity rather than by orthonasal flow into the lung. To study the differences between retronasal and orthonasal flow, we obtained computed tomography (CT) images of the orthonasal airway from a healthy human subject, printed an experimental model using a 3D printer, and analyzed the flow field inside the airway. The results show that, during inhalation, the anatomical structure of the oropharynx creates an air curtain outside a virtual cavity connecting the oropharynx and the back of the mouth, which prevents food volatiles from being transported into the main stream toward the lung. In contrast, during exhalation, the flow preferentially sweeps through this virtual cavity and effectively enhances the entrainment of food volatiles into the main retronasal flow. This asymmetrical transport efficiency is also found to have a nonmonotonic Reynolds number dependence: The asymmetry peaks at a range of an intermediate Reynolds number close to 800, because the air curtain effect during inhalation becomes strongest in this range. This study provides the first experimental evidence, to our knowledge, for adaptations of the geometry of the human oropharynx for efficient transport of food volatiles toward the olfactory receptors in the nasal cavity.

  4. Mass Transport within Soils

    Energy Technology Data Exchange (ETDEWEB)

    McKone, Thomas E.

    2009-03-01

    zone with three major horizons, the saturated zone can be further divided into other zones based on hydraulic and geologic conditions. Wetland soils are a special and important class in which near-saturation conditions exist most of the time. When a contaminant is added to or formed in a soil column, there are several mechanisms by which it can be dispersed, transported out of the soil column to other parts of the environment, destroyed, or transformed into some other species. Thus, to evaluate or manage any contaminant introduced to the soil column, one must determine whether and how that substance will (1) remain or accumulate within the soil column, (2) be transported by dispersion or advection within the soil column, (3) be physically, chemically, or biologically transformed within the soil (i.e., by hydrolysis, oxidation, etc.), or (4) be transported out of the soil column to another part of the environment through a cross-media transfer (i.e., volatilization, runoff, ground water infiltration, etc.). These competing processes impact the fate of physical, chemical, or biological contaminants found in soils. In order to capture these mechanisms in mass transfer models, we must develop mass-transfer coefficients (MTCs) specific to soil layers. That is the goal of this chapter. The reader is referred to other chapters in this Handbook that address related transport processes, namely Chapter 13 on bioturbation, Chapter 15 on transport in near-surface geological formations, and Chapter 17 on soil resuspention. This chapter addresses the following issues: the nature of soil pollution, composition of soil, transport processes and transport parameters in soil, transformation processes in soil, mass-balance models, and MTCs in soils. We show that to address vertical heterogeneity in soils in is necessary to define a characteristic scaling depth and use this to establish process-based expressions for soil MTCs. The scaling depth in soil and the corresponding MTCs depend

  5. Bioreactor Mass Transport Studies

    Science.gov (United States)

    Kleis, Stanley J.; Begley, Cynthia M.

    1997-01-01

    The objectives of the proposed research efforts were to develop both a simulation tool and a series of experiments to provide a quantitative assessment of mass transport in the NASA rotating wall perfused vessel (RWPV) bioreactor to be flown on EDU#2. This effort consisted of a literature review of bioreactor mass transport studies, the extension of an existing scalar transport computer simulation to include production and utilization of the scalar, and the evaluation of experimental techniques for determining mass transport in these vessels. Since mass transport at the cell surface is determined primarily by the relative motion of the cell assemblage and the surrounding fluid, a detailed assessment of the relative motion was conducted. Results of the simulations of the motion of spheres in the RWPV under microgravity conditions are compared with flight data from EDU#1 flown on STS-70. The mass transport across the cell membrane depends upon the environment, the cell type, and the biological state of the cell. Results from a literature review of cell requirements of several scalars are presented. As a first approximation, a model with a uniform spatial distribution of utilization or production was developed and results from these simulations are presented. There were two candidate processes considered for the experimental mass transport evaluations. The first was to measure the dissolution rate of solid or gel beads. The second was to measure the induced fluorescence of beads as a stimulant (for example hydrogen peroxide) is infused into the vessel. Either technique would use video taped images of the process for recording the quantitative results. Results of preliminary tests of these techniques are discussed.

  6. The volatile compound BinBase mass spectral database

    Directory of Open Access Journals (Sweden)

    Barupal Dinesh K

    2011-08-01

    Full Text Available Abstract Background Volatile compounds comprise diverse chemical groups with wide-ranging sources and functions. These compounds originate from major pathways of secondary metabolism in many organisms and play essential roles in chemical ecology in both plant and animal kingdoms. In past decades, sampling methods and instrumentation for the analysis of complex volatile mixtures have improved; however, design and implementation of database tools to process and store the complex datasets have lagged behind. Description The volatile compound BinBase (vocBinBase is an automated peak annotation and database system developed for the analysis of GC-TOF-MS data derived from complex volatile mixtures. The vocBinBase DB is an extension of the previously reported metabolite BinBase software developed to track and identify derivatized metabolites. The BinBase algorithm uses deconvoluted spectra and peak metadata (retention index, unique ion, spectral similarity, peak signal-to-noise ratio, and peak purity from the Leco ChromaTOF software, and annotates peaks using a multi-tiered filtering system with stringent thresholds. The vocBinBase algorithm assigns the identity of compounds existing in the database. Volatile compound assignments are supported by the Adams mass spectral-retention index library, which contains over 2,000 plant-derived volatile compounds. Novel molecules that are not found within vocBinBase are automatically added using strict mass spectral and experimental criteria. Users obtain fully annotated data sheets with quantitative information for all volatile compounds for studies that may consist of thousands of chromatograms. The vocBinBase database may also be queried across different studies, comprising currently 1,537 unique mass spectra generated from 1.7 million deconvoluted mass spectra of 3,435 samples (18 species. Mass spectra with retention indices and volatile profiles are available as free download under the CC-BY agreement (http

  7. Dissociation and Mass Transfer Coefficients for Ammonia Volatilization Models

    Science.gov (United States)

    Process-based models are being used to predict ammonia emissions from manure sources, but their accuracy has not been fully evaluated for cattle manure. Laboratory trials were conducted to measure the dissociation and mass transfer coefficients for ammonia volatilization from media of buffered ammon...

  8. Framework for reactive mass transport

    DEFF Research Database (Denmark)

    Jensen, Mads Mønster; Johannesson, Björn; Geiker, Mette Rica

    2014-01-01

    description is coupled to the system. The mass transport is solved by using the finite element method where the chemical equilibrium is solved explicitly by an operator splitting method. The IPHREEQC library is used as chemical equilibrium solver. The equation system, solved by IPHREEQC, is explained...... simulation, showing multi-species ingress with formation of new solid phases in the domain is described and calculated. It is shown that the numerical solution method is capable of solving the reactive mass transport system for the examples considered. (C) 2014 Elsevier B.V. All rights reserved....

  9. Transport, behavior, and fate of volatile organic compounds in streams

    Science.gov (United States)

    Rathbun, R.E.

    2000-01-01

    Volatile organic compounds (VOCs) are compounds with chemical and physical properties that allow the compounds to move freely between the water and air phases of the environment. VOCs are widespread in the environment because of this mobility. Many VOCs have properties that make them suspected or known hazards to the health of humans and aquatic organisms. Consequently, understanding the processes affecting the concentration and distribution of VOCs in the environment is necessary. The transport, behavior, and fate of VOCs in streams are determined by combinations of chemical, physical, and biological processes. These processes are volatilization, absorption, wet and dry deposition, microbial degradation, sorption, hydrolysis, aquatic photolysis, oxidation, chemical reaction, biocon-centration, advection, and dispersion. The relative importance of each of these processes depends on the characteristics of the VOC and the stream. The U.S. Geological Survey National Water-Quality Assessment Program selected 55 VOCs for study. This article reviews the characteristics of the various processes that could affect the transport, behavior, and fate of these VOCs in streams.

  10. Transport of volatile organic compounds across the capillary fringe

    Science.gov (United States)

    McCarthy, Kathleen A.; Johnson, Richard L.

    1993-01-01

    Physical experiments were conducted to investigate the transport of a dissolved volatile organic compound (trichloroethylene, TCE) from shallow groundwater to the unsaturated zone under a variety of conditions including changes in the soil moisture profile and water table position. Experimental data indicated that at moderate groundwater velocities (0.1 m/d), vertical mechanical dispersion was negligible and molecular diffusion was the dominant vertical transport mechanism. Under these conditions, TCE concentrations decreased nearly 3 orders of magnitude across the capillary fringe and soil gas concentrations remained low relative to those of underlying groundwater. Data collected during a water table drop showed a short-term increase in concentrations throughout most of the unsaturated zone, but these concentrations quickly declined and approached initial values after the water table was returned to its original level. In the deep part of the unsaturated zone, the water table drop resulted in a long-term decrease in concentrations, illustrating the effects of hysteresis in the soil moisture profile. A two-dimensional random walk advection-diffusion model was developed to simulate the experimental conditions, and numerical simulations agreed well with experimental data. A simpler, one-dimensional finite-difference diffusion-dispersion model was also developed. One-dimensional simulations based on molecular diffusion also agreed well with experimental data. Simulations which incorporated mechanical dispersion tended to overestimate flux across the capillary fringe. Good agreement between the one- and two-dimensional models suggested that a simple, one-dimensional approximation of vertical transport across the capillary fringe can be useful when conditions are appropriate.

  11. Two Extrasolar Asteroids with Low Volatile-Element Mass Fractions

    CERN Document Server

    Jura, M; Klein, B; Koester, D; Zuckerman, B

    2012-01-01

    Using ultraviolet spectra obtained with the Cosmic Origins Spectrograph on the Hubble Space Telescope, we extend our previous ground-based optical determinations of the composition of the extrasolar asteroids accreted onto two white dwarfs, GD 40 and G241-6. Combining optical and ultraviolet spectra of these stars with He-dominated atmospheres, 13 and 12 polluting elements are confidently detected in GD 40 and G241-6, respectively. For the material accreted onto GD 40, the volatile elements C and S are deficient by more than a factor of 10 and N by at least a factor of 5 compared to their mass fractions in primitive CI chondrites and approach what is inferred for bulk Earth. A similar pattern is found for G241-6 except that S is undepleted. We have also newly detected or placed meaningful upper limits for the amount of Cl, Al, P, Ni and Cu in the accreted matter. Extending results from optical studies, the mass fractions of refractory elements in the accreted parent bodies are similar to what is measured for ...

  12. Mass Spectrometry in Jupiter's Atmosphere: Vertical Variation of Volatile Vapors

    Science.gov (United States)

    Wong, Michael H.; Atreya, Sushil K.; Mahaffy, Paul R.

    2014-05-01

    The Galileo Probe made the first and only in situ measurements of composition in Jupiter's atmosphere, led by the Galileo Probe Mass Spectrometer, or GPMS [1]. The major contribution from this instrument was the measurement of abundances and isotope ratios of the noble gases, as well as the volatile gases CH4, NH3, H2O, and H2S [2,3]. These initial results were further refined by detailed laboratory calibrations for the noble gases [4] and the volatiles [5]. The probe measurements resulted in the first determination of the heavy element abundances (except carbon that was known previously) and He/H ratio, which provide critical constraints to models of the formation of Jupiter and the origin of its atmosphere [6,7]. The condensable volatiles, or CVs (ammonia, H2S, and water), increased with depth in the probe entry site. This vertical variation was observed at levels much deeper than the modeled cloud bases, as predicted by one-dimensional chemical equilibrium models. The discrepancy is due to the probe's entry into a dry region known as a 5-μm hot spot. The 5-μm hot spots are part of an atmospheric wave system that encircles Jupiter just north of the equator. Despite the anomalous meteorology, the bulk abundances of NH3 and H2S were measured by the probe, and found to be enriched with respect to solar composition (similarly to the non-condensable volatile CH4). The deepest water mixing ratio, however, was observed to be depleted relative to solar composition. We review an updated context for the CV vertical profiles measured by the GPMS, based on the latest results from remote sensing, simulation, and reinterpretation of Galileo Probe measurements. In particular, we find that (1) the bulk abundance of water in Jupiter's atmosphere must be greater than the subsolar abundance derived from the deepest GPMS measurements [8], and that (2) CV mixing ratios are controlled by a range of processes in addition to condensation of the ices NH3, NH4SH, and H2O [5-9]. Both

  13. Effect of External Photoevaporation on the Radial Transport of Volatiles and the Water Snowline in the Solar Nebula

    Science.gov (United States)

    Kalyaan, Anusha; Desch, Steven

    2017-01-01

    The Sun was likely born in a high mass star forming region [1]. Such a birth environment with a proximity to a nearby O or B star would photoevaporate the sun’s protoplanetary disk and cause an outward mass flow from the outer edge, as well as truncation of the disk, as seen in the Orion proplyds (although not as intensely)[2]. Photoevaporation likely explains the currently observed ~47 AU edge of the Kuiper Belt in our solar system [3], and more compellingly, the origin of certain short-lived radionuclides (such as Fe60), which cannot be successfully explained by a nebular origin [4][5]. Such a mass loss mechanism should affect the radial transport processes in the snowline region and along with temperature, has the potential to alter the location of the snowline.In this context, and in the light of recent ALMA observational results indicative of non-traditional behavior of snowlines and volatile transport in disks [6][7], this work studies what effect a photoevaporative mass loss from the outer disk may have on the volatile transport around the snowline region between ~1-10 AU in the disk. We build on the model of [8] and explore the effects of a steep photoevaporated non-uniform $\\alpha$ disk on radial transport of volatiles and small icy solids by incorporating the advection-diffusion equations as in [9] and condensation/evaporation of volatiles. We present results of these simulations, including volatile mass fluxes, ice/rock ratios, and snow line locations, in protoplanetary disks like the solar nebula.References: [1] Adams, F.C., 2010, ARAA 48,47 [2] Henney, W.J., & O’Dell, C.R., 1999, AJ, 118, 2350 [3] Trujillo,C.A. & Brown,M.E., 2001, ApJL,554,L95 [4] Hester, J.J., & Desch, S.J., 2005,ASPC, 341,107 [5] Wadhwa, M. et al. , 2007, Protostars & Planets V, 835 [5 [6] Cieza, L.A., et al., 2016, Nature,535,258 [7] Huang, J, et al. et al., 2016, ApJL, 823, L18 [8] Kalyaan, A., et al., 2015, ApJ, 815, 112 [9] Desch, S.J., et al., (in review).

  14. Mass Transport in Global Geophysical Fluids

    Science.gov (United States)

    Chao, B. F.

    1999-01-01

    Mass transports occurring in the atmosphere-hydrosphere-solid Earth-core system (the "global geophysical fluids") are important geophysical phenomena. They occur on all temporal and spatial scales. Examples include air mass and ocean circulations, tides, hydrological water redistribution, mantle processes such as post-glacial rebound, earthquakes and tectonic motions, and core geodynamo activities. With only a few exceptions on the Earth surface, the temporal history and spatial pattern of such mass transport are often not amenable to direct observations. Space geodesy techniques, however, have the capability of monitoring certain direct consequences of the mass transport, including Earth's rotation variations, gravitational field variations, and the geocenter motion. These techniques include the very-long-baseline interferometry, satellite laser ranging and Doppler tracking, and the Global Positioning System, all entail global observational networks. While considerable advances have been made in observing and understanding of the dynamics of Earth's rotation, only the lowest-degree gravitational variations have been observed and limited knowledge of geocenter motion obtained. New space missions, projects and initiatives promise to further improve the measurements and hence our knowledge about the global mass transports. The latter contributes to our understanding and modeling capability of the geophysical processes that produce and regulate the mass transports, as well as the solid Earth's response to such changes in constraining the modeling of Earth's mechanical properties.

  15. Real-time monitoring of volatile organic compounds using chemical ionization mass spectroscopy: Final report

    Energy Technology Data Exchange (ETDEWEB)

    Thornberg, S.M.; Mowry, C.D.; Keenan, M.R.; Bender, S.F.A. [Sandia National Labs., Albuquerque, NM (United States). Gas Analysis Lab.; Owen, T. [Intel Corp., Rio Rancho, NM (United States)

    1997-04-01

    Volatile organic compound (VOC) emission to the atmosphere is of great concern to semiconductor manufacturing industries, research laboratories, the public, and regulatory agencies. Some industries are seeking ways to reduce emissions by reducing VOCs at the point of use (or generation). This paper discusses the requirements, design, calibration, and use of a sampling inlet/quadrupole mass spectrometer system for monitoring VOCs in a semiconductor manufacturing production line. The system uses chemical ionization to monitor compounds typically found in the lithography processes used to manufacture semiconductor devices (e.g., acetone, photoresist). The system was designed to be transportable from tool to tool in the production line and to give the operator real-time feedback so the process(es) can be adjusted to minimize VOC emissions. Detection limits ranging from the high ppb range for acetone to the low ppm range fore other lithography chemicals were achieved using chemical ionization mass spectroscopy at a data acquisition rate of approximately 1 mass spectral scan (30 to 200 daltons) per second. A demonstration of exhaust VOC monitoring was performed at a working semiconductor fabrication facility during actual wafer processing.

  16. Improved Predictions of Carbon Tetrachloride Contaminant Flow and Transport: Implementation of Kinetic Volatilization and Multicomponent NAPL Behavior

    Energy Technology Data Exchange (ETDEWEB)

    Oostrom, Martinus; Zhang, Z. F.; Freedman, Vicky L.; Tartakovsky, Guzel D.

    2008-09-29

    Carbon tetrachloride (CT) was discharged to waste sites that are included in the 200-PW-1 Operable Unit in Hanford 200 West Area. Fluor Hanford, Inc. is conducting a Comprehensive Environmental Response, Compensation, and Liability Act (CERCLA) remedial investigation/feasibility study (RI/FS) for the 200-PW-1 Operable Unit. The RI/FS process and remedial investigations for the 200-PW-1, 200 PW-3, and 200-PW-6 Operable Units are described in the Plutonium/Organic-Rich Process Condensate/Process Waste Groups Operable Unit RI/FS Work Plan. As part of this overall effort, Pacific Northwest National Laboratory (PNNL) was contracted to improve the STOMP simulator (White and Oostrom, 2006) by incorporating kinetic volatilization of nonaqueous phase liquids (NAPL) and multicomponent flow and transport. This work supports the U.S. Department of Energy's (DOE's) efforts to characterize the nature and distribution of CT in the 200 West Area and subsequently select an appropriate final remedy. Previous numerical simulation results with the STOMP simulator have overestimated the effect of soil vapor extraction (SVE) on subsurface CT, showing rapid removal of considerably more CT than has actually been recovered so far. These previous multiphase simulations modeled CT mass transfer between phases based on equilibrium partitioning. Equilibrium volatilization can overestimate volatilization because mass transfer limitations present in the field are not considered. Previous simulations were also conducted by modeling the NAPL as a single component, CT. In reality, however, the NAPL mixture disposed of at the Hanford site contained several non-volatile and nearly insoluble organic components, resulting in time-variant fluid properties as the CT component volatilized or dissolved over time. Simulation of CT removal from a DNAPL mixture using single-component DNAPL properties typically leads to an overestimation of CT removal. Other possible reasons for the discrepancy

  17. Continental background in oceanic air masses and marine emission of Volatile Organic Compounds in Drake Passage

    Science.gov (United States)

    Colomb, Aurélie; Paris, Rodolphe; Losno, Rémi; Desboeufs, Karine; Provost, Christine

    2010-05-01

    In Drake Passage, continental air masses are mixed with pure oceanic air masses, and are evolving through the circumpolar atmospheric circulation. The most probable origin of continental air is Australia and Patagonia. Atmospheric dust content and deposition rate is quite unknown in Austral region. Long term evolution of continental air over the ocean is only poorly known, even if the oceanic surface is more than 80% of the Southern Hemisphere. Recent field experiments have shown large differences between estimated and measured dust or deposition. Dust particles can be carried up from the sources into the atmosphere for long range transport. Then, dust is deposited into the ocean surface. Dust deposition can bring micro-nutrients to the marine biota as trace metals and metalloids. During transport, some trace gases are oxidized depending on their lifetimes. It is therefore possible to calculate the photochemical age of the air masses, with some tracers of the long range transport and some tracers of sources origin. The Southern Ocean is poorly characterized in term of organic compounds and trace gases. Numerous experiments have shown that marine biology, such as phytoplankton can emit volatile organic compounds (VOC) but few shipborne measurements have been performed to determine potential source or sink of selected species. Especially in austral region, recent campaigns (MANCHOT in Indian Austral Ocean in December 2004 (Colomb et al, 2009); OOMPH between Cape Town and Punta Arenas in January 2007) have shown the impact of oceanic emission on the local and global atmospheric chemistry. During the ANT XXV-4 cruise on board the Polarstern in 2009, from Punta Arenas through Drake passage to Antarctic Peninsula, 165 air samples and 25 aerosol samples were collected, distributed all along the track. Additionally we took 4 rain samples to estimate the wet deposition. All the samples were taken at the front of the crow deck. Particles size and distribution and ozone

  18. Evaluation of noni (Morinda citrifolia) volatile profile by dynamic headspace and gas chromatography-mass spectrometry

    OpenAIRE

    Sousa, A.; M. A. SOUZA NETO; GARRUTI, D. dos S.; Sousa, J. A.; BRITO, E. S. de

    2010-01-01

    Noni is a fruit that has interested the scientific community due to its medicinal and functional activities. Different products that contain noni are already in the market, but their consumption could be impaired by their distinctive unpleasant aroma and flavor. The aim of this work was to evaluate the noni pulp volatile profile by dynamic headspace and gas chromatography-mass spectrometry. Thirty seven volatile compounds were detected, mainly alcohols (63.3%), esters (26.9%), cetones (7.4%),...

  19. Effects of thermodynamics parameters on mass transfer of volatile pollutants at air-water interface

    Directory of Open Access Journals (Sweden)

    Li-ping Chen

    2015-07-01

    Full Text Available A transient three-dimensional coupling model based on the compressible volume of fluid (VOF method was developed to simulate the transport of volatile pollutants at the air-water interface. VOF is a numerical technique for locating and tracking the free surface of water flow. The relationships between Henry’s constant, thermodynamics parameters, and the enlarged topological index were proposed for nonstandard conditions. A series of experiments and numerical simulations were performed to study the transport of benzene and carbinol. The simulation results agreed with the experimental results. Temperature had no effect on mass transfer of pollutants with low transfer free energy and high Henry’s constant. The temporal and spatial distribution of pollutants with high transfer free energy and low Henry’s constant was affected by temperature. The total enthalpy and total transfer free energy increased significantly with temperature, with significant fluctuations at low temperatures. The total enthalpy and total transfer free energy increased steadily without fluctuation at high temperatures.

  20. Oceanic mass transport by mesoscale eddies.

    Science.gov (United States)

    Zhang, Zhengguang; Wang, Wei; Qiu, Bo

    2014-07-18

    Oceanic transports of heat, salt, fresh water, dissolved CO2, and other tracers regulate global climate change and the distribution of natural marine resources. The time-mean ocean circulation transports fluid as a conveyor belt, but fluid parcels can also be trapped and transported discretely by migrating mesoscale eddies. By combining available satellite altimetry and Argo profiling float data, we showed that the eddy-induced zonal mass transport can reach a total meridionally integrated value of up to 30 to 40 sverdrups (Sv) (1 Sv = 10(6) cubic meters per second), and it occurs mainly in subtropical regions, where the background flows are weak. This transport is comparable in magnitude to that of the large-scale wind- and thermohaline-driven circulation.

  1. Volatile snowlines in embedded disks around low-mass protostars

    CERN Document Server

    Harsono, Daniel; van Dishoeck, Ewine

    2015-01-01

    (Abridged*) Models of the young solar nebula assume a hot initial disk with most volatiles are in the gas phase. The question remains whether an actively accreting disk is warm enough to have gas-phase water up to 50 AU radius. No detailed studies have yet been performed on the extent of snowlines in an embedded accreting disk (Stage 0). Quantify the location of gas-phase volatiles in embedded actively accreting disk system. Two-dimensional physical and radiative transfer models have been used to calculate the temperature structure of embedded protostellar systems. Gas and ice abundances of H$_2$O, CO$_2$, and CO are calculated using the density-dependent thermal desorption formulation. The midplane water snowline increases from 3 to 55 AU for accretion rates through the disk onto the star between $10^{-9}$-$10^{-4} \\ M_{\\odot} \\ {\\rm yr^{-1}}$. CO$_2$ can remain in the solid phase within the disk for $\\dot{M} \\leq 10^{-5} \\ M_{\\odot} \\ {\\rm yr^{-1}}$ down to $\\sim 20$ AU. Most of the CO is in the gas phase w...

  2. Fingerprinting Breast Cancer vs. Normal Mammary Cells by Mass Spectrometric Analysis of Volatiles

    Science.gov (United States)

    He, Jingjing; Sinues, Pablo Martinez-Lozano; Hollmén, Maija; Li, Xue; Detmar, Michael; Zenobi, Renato

    2014-06-01

    There is increasing interest in the development of noninvasive diagnostic methods for early cancer detection, to improve the survival rate and quality of life of cancer patients. Identification of volatile metabolic compounds may provide an approach for noninvasive early diagnosis of malignant diseases. Here we analyzed the volatile metabolic signature of human breast cancer cell lines versus normal human mammary cells. Volatile compounds in the headspace of conditioned culture medium were directly fingerprinted by secondary electrospray ionization-mass spectrometry. The mass spectra were subsequently treated statistically to identify discriminating features between normal vs. cancerous cell types. We were able to classify different samples by using feature selection followed by principal component analysis (PCA). Additionally, high-resolution mass spectrometry allowed us to propose their chemical structures for some of the most discriminating molecules. We conclude that cancerous cells can release a characteristic odor whose constituents may be used as disease markers.

  3. Delft Mass Transport model DMT-2

    Science.gov (United States)

    Ditmar, Pavel; Hashemi Farahani, Hassan; Inacio, Pedro; Klees, Roland; Zhao, Qile; Guo, Jing; Liu, Xianglin; Sun, Yu; Riva, Ricardo; Ran, Jiangjun

    2013-04-01

    Gravity Recovery And Climate Experiment (GRACE) satellite mission has enormously extended our knowledge of the Earth's system by allowing natural mass transport of various origin to be quantified. This concerns, in particular, the depletion and replenishment of continental water stocks; shrinking of polar ice sheets; deformation of the Earth's crust triggered by large earthquakes, and isostatic adjustment processes. A number of research centers compute models of temporal gravity field variations and mass transport, using GRACE data as input. One of such models - Delft Mass Transport model - is being produced at the Delft University of Technology in collaboration with the GNSS Research Center of Wuhan University. A new release of this model, DMT-2, has been produced on the basis of a new (second) release of GRACE level-1b data. This model consists of a time-series of monthly solutions spanning a time interval of more than 8 years, starting from Feb. 2003. Each solution consists of spherical harmonic coefficients up to degree 120. Both unconstrained and optimally filtered solutions are obtained. The most essential improvements of the DMT-2 model, as compared to its predecessors (DMT-1 and DMT-1b), are as follows: (i) improved estimation and elimination of low-frequency noise in GRACE data, so that strong mass transport signals are not damped; (ii) computation of accurate stochastic models of data noise for each month individually with a subsequent application of frequency-dependent data weighting, which allows statistically optimal solutions to be compiled even if data noise is colored and gradually changes in time; (iii) optimized estimation of accelerometer calibration parameters; (iv) incorporation of degree 1 coefficients estimated with independent techniques; (v) usage of state-of-the-art background models to de-alias GRACE data from rapid mass transport signals (this includes the EOT11a model of ocean tides and the latest release of the AOD1B product describing

  4. Analysis of volatile compounds of Malaysian Tualang (Koompassia excelsa) honey using gas chromatography mass spectrometry.

    Science.gov (United States)

    Nurul Syazana, M S; Gan, S H; Halim, A S; Shah, Nurul Syazana Mohamad; Gan, Siew Hua; Sukari, Halim Ahmad

    2013-01-01

    The constituents of honey's volatile compounds depend on the nectar source and differ depending on the place of origin. To date, the volatile constituents of Tualang honey have never been investigated. The objective of this study was to analyze the volatile compounds in local Malaysian Tualang honey. A continuous extraction of Tualang honey using five organic solvents was carried out starting from non-polar to polar solvents and the extracted samples were analysed using gas chromatography-mass spectrometry (GC-MS). Overall, 35 volatile compounds were detected. Hydrocarbons constitute 58.5% of the composition of Tualang honey. Other classes of chemical compounds detected included acids, aldehydes, alcohols, ketones, terpenes, furans and a miscellaneous group. Methanol yielded the highest number of extracted compounds such as acids and 5-(Hydroxymethyl) furfural (HMF). This is the first study to describe the volatile compounds in Tualang honey. The use of a simple one tube, stepwise, non-thermal liquid-liquid extraction of honey is a advantageous as it prevents sample loss. Further research to test the clinical benefits of these volatile compounds is recommended.

  5. Vapor Transport of a Volatile Solvent for a Multicomponent Aerosol Droplet

    CERN Document Server

    Feng, James Q

    2015-01-01

    This work presents analytical formulas derived for evaluating vapor transport of a volatile solvent for an isolated multicomponent droplet in a quiescent environment, based on quasi-steady-state approximation. Among multiple solvent components, only one component is considered to be much more volatile than the rest such that other components are assumed to be nonvolatile remaining unchanged in the droplet during the process of (single-component) volatile solvent evaporation or condensation. For evaporating droplet, the droplet size often initially decreases following the familiar "d^2 law" at an accelerated rate. But toward the end, the rate of droplet size change diminishes due to the presence of nonvolatile cosolvent. Such an acceleration-deceleration reversal behavior is unique for evaporating multicomponent droplet, while the droplet of pure solvent has an accelerated rate of size change all the way through the end. This reversal behavior is also reflected in the droplet surface temperature evolution as "...

  6. Determination of volatile components in cut tobacco with gas chromatography-mass spectrometry and chemometric resolution

    Institute of Scientific and Technical Information of China (English)

    HUANG Lan-fang; WU Ming-jian; SUN Xian-jun; ZHONG Ke-jun; GUO Zi-ming; DAI Yun-hui; HUANG Ke-long; GUO Fang-qiu

    2007-01-01

    Chromatography-mass spectrometry (GC-MS) was used to analyze the volatile components of cut tobacco samples with the help of heuristic evolving latent projections (HELP). After extracting with simultaneous distillation and extraction method, the volatile components in cut tobacco were detected by GC-MS. Then the obtained original two-dimensional data were resolved into pure mass spectra and chromatograms. The qualitative analysis was performed by similarity searches in the national institute of standards and technology(NIST) mass database with the obtained pure mass spectrum of each component and the quantitative results were obtained by calculating the volume of total two-way response. The accuracy of qualitative and quantitative results were greatly improved by using the two-dimensional comprehensive information of chromatograms and mass spectra. 107 of 141 separated constituents in the total ion chromatogram of the volatile components were identified and quantified, accounting for about 88.01% of the total content. The result proves that the developed method is powerful for the analysis of complex cut tobacco samples.

  7. INTERFACIAL MASS TRANSPORT IN OXIDE CRYSTAL GROWTH

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    @@ A space high temperature in situobservation instrument (SHITISOI) is dedicated to visualize and record the whole growth process of oxide crystal in high temperature melts and solutions. Model experiments using transparent liquids such as KNbO3,Li2B4O7+KNbO3 were chosen to investigate effects of interracial mass transport in oxide crystal growth. For the scaling of the coupled velocity, heat and concentration fields in KNbO3 crystal growth, a rotating crystal growth process was performed and the widths of interfacial concentration, heat and momentum transition zones (The "boundary layers") are obtained, which are 7.5×10-a, 8.6×10-2 and 4.4×10-1 cm,respectively. Hence one can expect that interfacial concentration gradient will be confined to a narrow layer and in region of major concentration change at the in terface. In order to study a mechanism based on the interfacial mass transport resulting from hydrodynamics, the growth of KNbO3 grain in high temperature Li2B4O7 and KNbO3 solutin was studied. The result shows that the pivotal feature in the KNbO3 crystal growth is the initiated by KNbO3 solute surface tension gra dient which is caused by the slow diffusion of KNbO3 solutes. Direct comparison of the model predictions and experimental observed phenomena demonstrate the predictive capability of this model.

  8. Health risks in international container and bulk cargo transport due to volatile toxic compounds

    DEFF Research Database (Denmark)

    Baur, Xaver; Budnik, Lygia T; Zhao, Zhiwei

    2015-01-01

    on the toxic substance, its chemical reactivity, concentration, the temperature, the contaminated matrix (goods and packing materials), and the packing density in the transport units. Regulations on declaration and handling dangerous goods are mostly not followed. It is obvious that this hazardous situation...... shown to contain volatile toxic substances above the exposure limit values. Possible exposure to these toxic chemicals may occur not only for the applicators but also the receiver by off gassing from products, packing materials or transport units like containers. A number of intoxications, some...... with lethal outcome, occur not only during the fumigation, but also during freight transport (on bulk carriers and other transport vessels), as well as in the logistic lines during loading and unloading. Risk occupations include dock-workers, seafarers, inspectors, as well as the usually uninformed workers...

  9. MAM-An Aquivalence-based Dynamic Mass Balance Model for the Fate of Non-Volatile Organic Chemicals in the Agricultural Environment

    Directory of Open Access Journals (Sweden)

    Mohammad A. Batiha

    2008-01-01

    Full Text Available A Multimedia Agricultural Model (MAM for predicting the fate and transport of Non-Volatile Organic Chemicals (NVOCs in the agricultural environment was presented. It is an expanded and modified version of the three compartmental model introduced by Batiha and co-authors in 2007, which is an aquivalence-based level IV. MAM considered five environmental compartments to include the air, water, soil, sediment and vegetation. It calculates the complete steady-state mass budgets for the air, water and particulate organic carbon between the model compartments. MAM compartments were connected by advective and intermedia transport processes. Degradation can take place in every compartment. The mass balances for each of the compartments result in a system of five differential equations, solved numerically to yield estimates of concentrations, masses, transport fluxes and reaction rates as a function of time. All the equations required for MAM calculations were provided.

  10. Chemical mass balance of 300 °C non-volatile particles at the tropospheric research site Melpitz, Germany

    Science.gov (United States)

    Poulain, L.; Birmili, W.; Canonaco, F.; Crippa, M.; Wu, Z. J.; Nordmann, S.; Spindler, G.; Prévôt, A. S. H.; Wiedensohler, A.; Herrmann, H.

    2014-09-01

    In the fine-particle mode (aerodynamic diameter MAAP), and an aerosol mass spectrometer (AMS). The data were collected during two atmospheric field experiments in May-June 2008 as well as February-March 2009. As a basic result, we detected average non-volatile particle-volume fractions of 11 ± 3% (2008) and 17 ± 8% (2009). In both periods, BC was in close linear correlation with the non-volatile fraction, but not sufficient to quantitatively explain the non-volatile particle mass concentration. Based on the assumption that BC is not altered by the heating process, the non-volatile particle mass fraction could be explained by the sum of black carbon (47% in summer, 59% in winter) and a non-volatile organic contribution estimated as part of the low-volatility oxygenated organic aerosol (LV-OOA) (53% in summer, 41% in winter); the latter was identified from AMS data by factor analysis. Our results suggest that LV-OOA was more volatile in summer (May-June 2008) than in winter (February-March 2009) which was linked to a difference in oxidation levels (lower in summer). Although carbonaceous compounds dominated the sub-μm non-volatile particle mass fraction most of the time, a cross-sensitivity to partially volatile aerosol particles of maritime origin could be seen. These marine particles could be distinguished, however from the carbonaceous particles by a characteristic particle volume-size distribution. The paper discusses the uncertainty of the volatility measurements and outlines the possible merits of volatility analysis as part of continuous atmospheric aerosol measurements.

  11. Resonance wave pumping: wave mass transport pumping

    Science.gov (United States)

    Carmigniani, Remi; Violeau, Damien; Gharib, Morteza

    2016-11-01

    It has been previously reported that pinching at intrinsic resonance frequencies a valveless pump (or Liebau pump) results in a strong pulsating flow. A free-surface version of the Liebau pump is presented. The experiment consists of a closed tank with a submerged plate separating the water into a free-surface and a recirculation section connected through two openings at each end of the tank. A paddle is placed at an off-centre position at the free-surface and controlled in a heaving motion with different frequencies and amplitudes. Near certain frequencies identified as resonance frequencies through a linear potential theory analysis, the system behaves like a pump. Particle Image Velocimetry (PIV) is performed in the near free surface region and compared with simulations using Volume of Fluid (VOF) method. The mean eulerian mass flux field (ρ) is extracted. It is observed that the flow is located in the vicinity of the surface layer suggesting Stokes Drift (or Wave Mass Transport) is the source of the pumping. A model is developped to extend the linear potential theory to the second order to take into account these observations. The authors would like to acknowledge the Gordon and Betty Moore Foundation for their generous support.

  12. A mass transfer model for predicting emission of the volatile organic compounds in wet building materials

    Institute of Scientific and Technical Information of China (English)

    ZHANG Tao; JIA Li

    2008-01-01

    A new mass transfer model is developped to predict the volatile organic compounds (VOCs) from fresh wet building materials. The dry section of wet materials during the process of VOC emission from wet building materials is considered in this new model, differing from the mass transfer-based models in other literatures. The mechanism of effect of saturated vapor pressure on the surface of wet building materials in the process of VOC emission is discussed. The concentration of total volatile organic compounds (TVOC) in the building materials gradually decreases as the emission of VOCs begins, and the vapor pressure of VOCs on the surface of wet building materials decreases in the case of newly wet building materials. To ensure the partial pressure of VOCs on the surface of wet building materials to be saturated vapor pressure, the interface of gas-wet layer is lowered, and a dry layer of no-volatile gases in the material is formed. Compared with the results obtained by VB model, CFD model and the ex-periment data, the results obtained by the present model agree well with the results obtained by CFD model and the experiment data. The present model is more accurate in predicting emission of VOC from wet building materials than VB model.

  13. Volatile transport on inhomogeneous surfaces: II. Numerical calculations (VT3D)

    CERN Document Server

    Young, Leslie A

    2015-01-01

    Several distant icy worlds have atmospheres that are in vapor-pressure equilibrium with their surface volatiles, including Pluto, Triton, and, probably, several large KBOs near perihelion. Studies of the volatile and thermal evolution of these have been limited by computational speed, especially for models that treat surfaces that vary with both latitude and longitude. In order to expedite such work, I present a new numerical model for the seasonal behavior of Pluto and Triton which (i) uses initial conditions that improve convergence, (ii) uses an expedient method for handling the transition between global and non-global atmospheres, (iii) includes local conservation of energy and global conservation of mass to partition energy between heating, conduction, and sublimation or condensation, (iv) uses time-stepping algorithms that ensure stability while allowing larger timesteps, and (v) can include longitudinal variability. This model, called VT3D, has been used in Young (2012), Young (2013), Olkin et al. (201...

  14. Volatile Analysis by Pyrolysis of Regolith (Vapor) on the Moon using Mass Spectrometry

    Science.gov (United States)

    Glavin, D. P.; Kate, I. L. ten; Brinckerhoff, W.; Cardiff, E.; Dworkin, J. P.; Feng, S.; Getty, S.; Gorevan, S.; Harpold, D.; Jones, A. L.; King, T.; Mahaffy, P. R.; Martin, D.; Moore, M.; Roberts, D.; Robman, P.; Simmons, C.; Stephenson, T.; Swindle, T.

    2008-01-01

    The identification of lunar resources such as water is a fundamental component of the the NASA Vision for Space Exploration. The Lunar Prospector mission detected high concentrations of hydrogen at the lunar poles that may indicate the presence of water or other volatiles in the lunar regolith [1]. One explanation for the presence of enhanced hydrogen in permanently shadowed crater regions is long term trapping of water-ice delivered by comets, asteroids, and other meteoritic material that have bombarded the Moon over the last 4 billion years [2]. It is also possible that the hydrogen signal at the lunar poles is due to hydrogen implanted by the solar wind which is delayed from diffusing out of the regolith by the cold temperatures [3]. Previous measurements of the lunar atmosphere by the LACE experiment on Apollo 17, suggested the presence of cold trapped vola'tiles that were expelled by solar heating [4]. In situ composition and isotopic analyses of the lunar regolith will be required to establish the abundance, origin, and distribution of water-ice and other volatiles at the lunar poles. Volatile Analysis by Pyrolysis of Regolith (VAPoR) on the Moon using mass spectrometry is one technique that should be considered. The VAPoR pyrolysis-mass spectrometer (pyr-MS) instrument concept study was selected for funding in 2007 by the NASA Lunar Sortie Science Opportunities (LSSO) Program. VAPoR is a miniature version of the Sample Analysis at Mars (SAM) instrument suite currently being developed at NASA Goddard for the 2009 Mars Science Laboratory mission (Fig. 1).

  15. Rapid tomato volatile profiling by using proton-transfer reaction mass spectrometry (PTR-MS).

    Science.gov (United States)

    Farneti, Brian; Cristescu, Simona M; Costa, Guglielmo; Harren, Frans J M; Woltering, Ernst J

    2012-05-01

    The availability of rapid and accurate methods to assess fruit flavor is of utmost importance to support quality control especially in the breeding phase. Breeders need more information and analytical tools to facilitate selection for complex multigenic traits such as flavor quality. In this study, it is shown that proton-transfer reaction mass spectrometry (PTR-MS) is a suitable method to monitor at high sensitivity the emission of volatiles determining the tomato aromatic profile such as hexanal, hexenals, methanol, ethanol, and acetaldehyde. The volatiles emitted by 14 tomato varieties (at red stage) were analyzed by 2 solvent-free headspace methods: solid-phase microextraction/gas chromatography MS and PTR-MS. Multivariate statistics (principal component analysis and cluster analysis) of the PTR-MS results allow an unambiguous separation between varieties, especially with a clear fingerprinting separation between the different tomato types: round truss, cocktail, and cherry tomatoes. PTR-MS was also successfully used to monitor the changes in volatile profiles during postharvest ripening and storage.

  16. Volatile transport on inhomogeneous surfaces: II. Numerical calculations (VT3D)

    Science.gov (United States)

    Young, Leslie A.

    2017-03-01

    Several distant icy worlds have atmospheres that are in vapor-pressure equilibrium with their surface volatiles, including Pluto, Triton, and, probably, several large KBOs near perihelion. Studies of the volatile and thermal evolution of these have been limited by computational speed, especially for models that treat surfaces that vary with both latitude and longitude. In order to expedite such work, I present a new numerical model for the seasonal behavior of Pluto and Triton which (i) uses initial conditions that improve convergence, (ii) uses an expedient method for handling the transition between global and non-global atmospheres, (iii) includes local conservation of energy and global conservation of mass to partition energy between heating, conduction, and sublimation or condensation, (iv) uses time-stepping algorithms that ensure stability while allowing larger timesteps, and (v) can include longitudinal variability. This model, called VT3D, has been used in Young (2012a, 2012b), Young (2013), Olkin et al. (2015), Young and McKinnon (2013), and French et al. (2015). Many elements of VT3D can be used independently. For example, VT3D can also be used to speed up thermophysical models (Spencer et al., 1989) for bodies without volatiles. Code implementation is included in the supplemental materials and is available from the author.

  17. Can clouds enhance long-range transport of low volatile, ionizable and surface-active chemicals?

    DEFF Research Database (Denmark)

    Franco, Antonio; Trapp, Stefan

    2011-01-01

    Atmospheric partitioning and transport of low volatile organic compounds is strongly influenced by the presence of water (e.g. clouds) and its deposition velocity (e.g. rainfall, snow). It was identified that the assumption of continuous rainfall underestimates the residence time and the transport...... substances. A modified version of the regional multimedia activity model for ionics MAMI, including twolayered atmosphere with atmospheric boundary layer (ABL) and lower/middle troposphere (LMT), interface partitioning, intermittent rainfall and variable cloud coverage was applied to a selection of ten low...... were run for a constant emission to the atmospheric boundary layer to identify key model inputs. The degradation rate, the duration of dry and wet periods and the parameters describing air-water bulk partitioning (KAW and T) and ionization (pKa and pH) determine the residence time in the ABL...

  18. Technical note: Characterization of key volatile odorants in rabbit meat using gas chromatography mass spectrometry with simultaneous distillation extraction

    Directory of Open Access Journals (Sweden)

    Y.J. Xie

    2016-12-01

    Full Text Available This study explored the key volatile compounds in both male and female rabbit meat. Simultaneous distillation extraction with dichloromethane was adopted to extract the volatile compounds in Hyla rabbit meat. A total of 35 volatile compounds were identified by gas chromatography–mass spectrometry and quantified with 2, 4, 6-thimethylpyridine as internal standard. Seventeen volatile aldehydes, 4 alcohols, 2 ketones, 2 acids, 1 heterocyclic compound, 2 alkanes and 7 esters were detected. Hexanal, heptanal, octanal, nonanal, (E, E-2, 4-decadienal, 1-octen-3-ol and (Z-2-decenal were the key odorant compounds, with high relative odour activity value. Furthermore, the concentration of volatile compounds in male rabbit meat was higher than that in female rabbit meat.

  19. Tequila volatile characterization and ethyl ester determination by solid phase microextraction gas chromatography/mass spectrometry analysis.

    Science.gov (United States)

    Vallejo-Cordoba, Belinda; González-Córdova, Aarón Fernando; del Carmen Estrada-Montoya, María

    2004-09-08

    Solid phase microextraction (SPME) and gas chromatography were used for tequila volatile characterization and ethyl ester quantitation. Several factors determined the differences in tequila volatile profiles obtained by the SPME technique, namely, sampling mode, fiber coating, and fiber exposure time. Each of these factors determined the most suitable conditions for the analysis of volatile profiles in tequila. Volatile extraction consisted of placing 40 mL of tequila in a sealed vial kept at 40 degrees C. A poly(dimethylsiloxane) fiber was immersed in the liquid for 60 min and desorbed for 5 min into the gas chromatograph. The identified volatiles by mass spectrometry were mainly alcohols, esters, and ketones. The calibration curves for ethyl hexanoate, octanoate, and decanoate followed linear relationships with highly significant (p tequila samples. Quantitative differences in ethyl esters were found for the four most commonly known tequila types: silver, gold, aged, and extra-aged.

  20. ‘The crab’ transporting LHC dipole cold mass

    CERN Multimedia

    Maximilien Brice

    2003-01-01

    For the careful transport of the LHC dipole magnets a robot, called ‘the crab’ has been specially built. It transports the cold masses between the storage area and assembly hall. These cold masses contain the cooling system and container for the dipole magnet.

  1. A new mass screening method for methylmercury poisoning using mercury-volatilizing bacteria from Minamata Bay.

    Science.gov (United States)

    Nakamura, K; Naruse, I; Takizawa, Y

    1999-09-01

    A simplified mass screening method for methylmercury exposure was developed using methylmercury-volatilizing bacteria from Minamata Bay. Some bacteria can transform methylmercury into mercury vapor. Most mercury in the hair is methylmercury, which is readily extracted with HCl solution. Black spots are formed on X-ray film due to the reduction of Ag(+) emulsion with mercury vapor produced by methylmercury-volatilizing bacteria. By exploiting these characteristics, a screening method was developed, whereby the fur of rats injected with methylmercury chloride formed clear black spots on X-ray film, whereas the fur of rats injected with saline did not. Subsequently, 50 human hair samples were examined using this mass screening method. The method identified people who had high mercury concentration, over 20 microg/g. A few thousand hair samples may be screened in a day using this method because it is rapid, simple, and economical. This method, therefore, enables screening of persons with methylmercury poisoning in mercury-polluted areas.

  2. Volatile Delivery to Planets from Water-rich Planetesimals around Low Mass Stars

    CERN Document Server

    Ciesla, Fred J; Pascucci, Ilaria; Apai, Daniel

    2015-01-01

    Most models of volatile delivery to accreting terrestrial planets assume that the carriers for water are similar in water content to the carbonaceous chondrites in our Solar System. Here we suggest that the water content of primitive bodies in many planetary systems may actually be much higher, as carbonaceous chondrites have lost some of their original water due to heating from short-lived radioisotopes that drove parent body alteration. Using N-body simulations, we explore how planetary accretion would be different if bodies beyond the water line contained a water mass fraction consistent with chemical equilibrium calculations, and more similar to comets, as opposed to the more traditional water-depleted values. We apply this model to consider planet formation around stars of different masses and identify trends in the properties of Habitable Zone planets and planetary system architecture which could be tested by ongoing exoplanet census data collection. Comparison of such data with the model predicted tren...

  3. Characterisation of the volatile profiles of infant formulas by proton transfer reaction-mass spectrometry and gas chromatography-mass spectrometry

    NARCIS (Netherlands)

    Ruth, van S.M.; Floris, V.; Fayoux, S.

    2006-01-01

    The volatile profiles of 13 infant formulas were evaluated by proton transfer reaction-mass spectrometry (PTR-MS) and gas chromatography¿mass spectrometry (GC¿MS). The infant formulas varied in brand (Aptamil, Cow & Gate, SMA), type (for different infant target groups) and physical form (powder/

  4. Study on volatilization mechanism of ruthenium tetroxide from nitrosyl ruthenium nitrate by using mass spectrometer

    Science.gov (United States)

    Kato, Tetsuya; Usami, Tsuyoshi; Tsukada, Takeshi; Shibata, Yuki; Kodama, Takashi

    2016-10-01

    In a cooling malfunction accident of a high-level liquid waste (HLLW) tank, behavior of ruthenium (Ru) attracts much attention, since Ru could be oxidized to a volatile chemical form in the boiling and drying of HLLW, and part of radioactive Ru can potentially be released to the environment. In this study, nitrosyl Ru nitrate (Ru(NO)(NO3)3) dissolved in nitric acid (HNO3), which is commonly contained in a simulated HLLW, was dried and heated up to 723 K, and the evolved gas was introduced into a mass spectrometer. The well-known volatile species, ruthenium tetroxide (RuO4) was detected in a temperature range between 390 K and 500 K with the peak top around 440 K. Various gases such as HNO3, nitrogen dioxide (NO2), nitrogen monoxide (NO) also evolved due to evaporation of the nitric acid and decomposition of the nitrate ions. The ion current of RuO4 seems to increase with the increasing decomposition of nitrate, while the evaporation of HNO3 decreases. More volatilization of RuO4 was observed from the HNO3 solution containing not only Ru(NO)(NO3)3 but also cerium nitrate (Ce(NO3)3·6H2O) which was added for extra supply of nitrate ion, compared with that from the HNO3 solution containing only Ru(NO)(NO3)3. These experimental results suggest that Ru could be oxidized to form RuO4 by the nitrate ion as well as HNO3.

  5. Terminology for mass transport and exchange

    DEFF Research Database (Denmark)

    Bassingthwaighte, J B; Chinard, F P; Crone, C

    1986-01-01

    Virtually all fields of physiological research now encompass various aspects of solute transport by convection, diffusion, and permeation across membranes. Accordingly, this set of terms, symbols, definitions, and units is proposed as a means of clear communication among workers in the physiologi......Virtually all fields of physiological research now encompass various aspects of solute transport by convection, diffusion, and permeation across membranes. Accordingly, this set of terms, symbols, definitions, and units is proposed as a means of clear communication among workers...

  6. Mass transfer and adsorption equilibrium for low volatility alkanes in BPL activated carbon.

    Science.gov (United States)

    Wang, Yu; Mahle, John J; Furtado, Amanda M B; Glover, T Grant; Buchanan, James H; Peterson, Gregory W; LeVan, M Douglas

    2013-03-01

    The structure of a molecule and its concentration can strongly influence diffusional properties for transport in nanoporous materials. We study mass transfer of alkanes in BPL activated carbon using the concentration-swing frequency response method, which can easily discriminate among mass transfer mechanisms. We measure concentration-dependent diffusion rates for n-hexane, n-octane, n-decane, 2,7-dimethyloctane, and cyclodecane, which have different carbon numbers and geometries: straight chain, branched chain, and cyclic. Micropore diffusion is determined to be the controlling mass transfer resistance except at low relative saturation for n-decane, where an external mass transfer resistance also becomes important, showing that the controlling mass transfer mechanism can change with system concentration. Micropore diffusion coefficients are found to be strongly concentration dependent. Adsorption isotherm slopes obtained from measured isotherms, the concentration-swing frequency response method, and a predictive method show reasonably good agreement.

  7. Volatile constituents of Murraya koenigii fresh leaves using headspace solid phase microextraction--gas chromatography-mass spectrometry.

    Science.gov (United States)

    Sukkaew, Sayamol; Pripdeevech, Patcharee; Thongpoon, Chalermporn; Machan, Theeraphan; Wongchuphan, Rattana

    2014-12-01

    The volatile components of Murraya koenigii fresh leaves, collected from Surat Thani province, Thailand were studied by using headspace (HS) solid-phase microextraction (SPME) coupled with gas chromatography-mass spectrometry (GC-MS). The four fibers employed to extract the volatiles were polydimethylsiloxane (PDMS), polydimethylsiloxane-divinylbenzene (PDMS-DVB), carboxane-polydimethylsiloxane (CAR-PDMS) and polydimethylsiloxane-divinylbenzene-carboxane (PDMS-DVB-CAR). The volatile constituents of M. koenigii fresh leaves were also extracted by hydrodistillation and analyzed by GC-MS. Fifty-one compounds were identified by these fibers. Five major compounds, γ-terpinene, β-caryophyllene, β-phellandrene, a-selinene and a-pinene, were detected in all fibers. The PDMS-DVB-CAR fiber was considered as the best for trapping key volatiles of M. koenigii fresh leaves.

  8. The Neutral Gas and Ion Mass Spectrometer on the Mars Atmosphere and Volatile Evolution Mission

    Science.gov (United States)

    Mahaffy, Paul R.; Benna, Mehdi; King, Todd; Harpold, Daniel N.; Arvey, Robert; Barciniak, Michael; Bendt, Mirl; Carrigan, Daniel; Errigo, Therese; Holmes, Vincent; Kellogg, James; Jaeger, Ferzan; Raaen, Eric; Tan, Florence

    2014-01-01

    The Neutral Gas and Ion Mass Spectrometer (NGIMS) of the Mars Atmosphere and Volatile Evolution Mission (MAVEN) is designed to measure the composition, structure, and variability of the upper atmosphere of Mars. The NGIMS complements two other instrument packages on the MAVEN spacecraft designed to characterize the neutral upper atmosphere and ionosphere of Mars and the solar wind input to this region of the atmosphere. The combined measurement set is designed to quantify atmosphere escape rates and provide input to models of the evolution of the martian atmosphere. The NGIMS is designed to measure both surface reactive and inert neutral species and ambient ions along the spacecraft track over the 125-500 km altitude region utilizing a dual ion source and a quadrupole analyzer.

  9. Enhanced Volatile Organic Compounds emissions and organic aerosol mass increase the oligomer content of atmospheric aerosols

    Science.gov (United States)

    Kourtchev, Ivan; Giorio, Chiara; Manninen, Antti; Wilson, Eoin; Mahon, Brendan; Aalto, Juho; Kajos, Maija; Venables, Dean; Ruuskanen, Taina; Levula, Janne; Loponen, Matti; Connors, Sarah; Harris, Neil; Zhao, Defeng; Kiendler-Scharr, Astrid; Mentel, Thomas; Rudich, Yinon; Hallquist, Mattias; Doussin, Jean-Francois; Maenhaut, Willy; Bäck, Jaana; Petäjä, Tuukka; Wenger, John; Kulmala, Markku; Kalberer, Markus

    2016-10-01

    Secondary organic aerosol (SOA) accounts for a dominant fraction of the submicron atmospheric particle mass, but knowledge of the formation, composition and climate effects of SOA is incomplete and limits our understanding of overall aerosol effects in the atmosphere. Organic oligomers were discovered as dominant components in SOA over a decade ago in laboratory experiments and have since been proposed to play a dominant role in many aerosol processes. However, it remains unclear whether oligomers are relevant under ambient atmospheric conditions because they are often not clearly observed in field samples. Here we resolve this long-standing discrepancy by showing that elevated SOA mass is one of the key drivers of oligomer formation in the ambient atmosphere and laboratory experiments. We show for the first time that a specific organic compound class in aerosols, oligomers, is strongly correlated with cloud condensation nuclei (CCN) activities of SOA particles. These findings might have important implications for future climate scenarios where increased temperatures cause higher biogenic volatile organic compound (VOC) emissions, which in turn lead to higher SOA mass formation and significant changes in SOA composition. Such processes would need to be considered in climate models for a realistic representation of future aerosol-climate-biosphere feedbacks.

  10. MSI.R scripts reveal volatile and semi-volatile features in low-temperature plasma mass spectrometry imaging (LTP-MSI) of chilli (Capsicum annuum).

    Science.gov (United States)

    Gamboa-Becerra, Roberto; Ramírez-Chávez, Enrique; Molina-Torres, Jorge; Winkler, Robert

    2015-07-01

    In cartography, the combination of colour and contour lines is used to express a three-dimensional landscape on a two-dimensional map. We transferred this concept to the analysis of mass spectrometry imaging (MSI) data and developed a collection of R scripts for the efficient evaluation of .imzML archives in a four-step strategy: (1) calculation of the density distribution of mass-to-charge ratio (m/z) signals in the .imzML file and assembling of a pseudo-master spectrum with peak list, (2) automated generation of mass images for a defined scan range and subsequent visual inspection, (3) visualisation of individual ion distributions and export of relevant .mzML spectra and (4) creation of overlay graphics of ion images and photographies. The use of a Hue-Chroma-Luminance (HCL) colour model in MSI graphics takes into account the human perception for colours and supports the correct evaluation of signal intensities. Further, readers with colour blindness are supported. Contour maps promote the visual recognition of patterns in MSI data, which is particularly useful for noisy data sets. We demonstrate the scalability of MSI.R scripts by running them on different systems: on a personal computer, on Amazon Web Services (AWS) instances and on an institutional cluster. By implementing a parallel computing strategy, the execution speed for .imzML data scanning with image generation could be improved by more than an order of magnitude. Applying our MSI.R scripts ( http://www.bioprocess.org/MSI.R ) to low-temperature plasma (LTP)-MSI data shows the localisation of volatile and semi-volatile compounds in the cross-cut of a chilli (Capsicum annuum) fruit. The subsequent identification of compounds by gas and liquid chromatography coupled to mass spectrometry (GC-MS, LC-MS) proves that LTP-MSI enables the direct measurement of volatile organic compound (VOC) distributions from biological tissues.

  11. Proton transfer reaction-mass spectrometry volatile organic compound fingerprinting for monovarietal extra virgin olive oil identification

    NARCIS (Netherlands)

    Ruiz-Samblas, C.; Tres, A.; Koot, A.H.; Ruth, van S.M.; Gonzalez-Casado, A.; Cuadros-Rodriguez, L.

    2012-01-01

    Proton transfer reaction-mass spectrometry (PTR-MS) is a relatively new technique that allows the fast and accurate qualification of the volatile organic compound (VOC) fingerprint. This paper describes the analysis of thirty samples of extra virgin olive oil, of five different varieties of olive

  12. Proton transfer reaction-mass spectrometry volatile organic compound fingerprinting for monovarietal extra virgin olive oil identification

    NARCIS (Netherlands)

    Ruiz-Samblas, C.; Tres, A.; Koot, A.H.; Ruth, van S.M.; Gonzalez-Casado, A.; Cuadros-Rodriguez, L.

    2012-01-01

    Proton transfer reaction-mass spectrometry (PTR-MS) is a relatively new technique that allows the fast and accurate qualification of the volatile organic compound (VOC) fingerprint. This paper describes the analysis of thirty samples of extra virgin olive oil, of five different varieties of olive fr

  13. Real-Time Mass Passenger Transport Network Optimization Problems

    OpenAIRE

    2005-01-01

    The aim of Real-Time Mass Transport Vehicle Routing Problem (MTVRP) is to find a solution to route n vehicles in real time to pick up and deliver m passengers. This problem is described in the context of flexible large-scale mass transportation options that use new technologies for communication among passengers and vehicles. The solution of such a problem is relevant to future transportation options involving large scale real-time routing of shared-ride fleet transit vehicles. However, the g...

  14. Space Geodesy Monitoring Mass Transport in Global Geophysical Fluids

    Science.gov (United States)

    Chao, Benjamin F.

    2004-01-01

    Mass transports occurring in the atmosphere-hydrosphere-cryosphere-solid Earth-core system (the 'global geophysical fluids') are important geophysical phenomena. They occur on all temporal and spatial scales. Examples include air mass and ocean circulations, oceanic and solid tides, hydrological water and idsnow redistribution, mantle processes such as post-glacial rebound, earthquakes and tectonic motions, and core geodynamo activities. The temporal history and spatial pattern of such mass transport are often not amenable to direct observations. Space geodesy techniques, however, have proven to be an effective tool in monitorihg certain direct consequences of the mass transport, including Earth's rotation variations, gravitational field variations, and the geocenter motion. Considerable advances have been made in recent years in observing and understanding of these geodynamic effects. This paper will use several prominent examples to illustrate the triumphs in research over the past years under a 'Moore's law' in space geodesy. New space missions and projects promise to further advance our knowledge about the global mass transports. The latter contributes to our understanding of the geophysical processes that produce and regulate the mass transports, as well as of the solid Earth's response to such changes in terms of Earth's mechanical properties.

  15. Analysis of volatile and oxidation sensitive compounds using a cold inlet system and electron impact mass spectrometry.

    Science.gov (United States)

    Sproß, Jens

    2014-09-05

    This video presents a protocol for the mass spectrometrical analysis of volatile and oxidation sensitive compounds using electron impact ionization. The analysis of volatile and oxidation sensitive compounds by mass spectrometry is not easily achieved, as all state-of-the-art mass spectrometric methods require at least one sample preparation step, e.g., dissolution and dilution of the analyte (electrospray ionization), co-crystallization of the analyte with a matrix compound (matrix-assisted laser desorption/ionization), or transfer of the prepared samples into the ionization source of the mass spectrometer, to be conducted under atmospheric conditions. Here, the use of a sample inlet system is described which enables the analysis of volatile metal organyls, silanes, and phosphanes using a sector field mass spectrometer equipped with an electron impact ionization source. All sample preparation steps and the sample introduction into the ion source of the mass spectrometer take place either under air-free conditions or under vacuum, enabling the analysis of compounds highly susceptible to oxidation. The presented technique is especially of interest for inorganic chemists, working with metal organyls, silanes, or phosphanes, which have to be handled using inert conditions, such as the Schlenk technique. The principle of operation is presented in this video.

  16. Optimal urban networks via mass transportation

    CERN Document Server

    Buttazzo, Giuseppe; Stepanov, Eugene; Solimini, Sergio

    2009-01-01

    Recently much attention has been devoted to the optimization of transportation networks in a given geographic area. One assumes the distributions of population and of services/workplaces (i.e. the network's sources and sinks) are known, as well as the costs of movement with/without the network, and the cost of constructing/maintaining it. Both the long-term optimization and the short-term, "who goes where" optimization are considered. These models can also be adapted for the optimization of other types of networks, such as telecommunications, pipeline or drainage networks. In the monograph we study the most general problem settings, namely, when neither the shape nor even the topology of the network to be constructed is known a priori.

  17. Isolation and quantification of volatiles in fish by dynamic headspace sampling and mass spectrometry

    DEFF Research Database (Denmark)

    Refsgaard, Hanne; Haahr, Anne-Mette; Jensen, Benny

    1999-01-01

    determined by use of this sample preparation method and for samples chewed for 10 s. Effects of sampling time, temperature, and purge flow on level of volatiles were tested. Purging at 340 mL/min for 30 min at 45 degrees C was found to be optimal. Detection Emits for a number of aldehydes were 0.2-2.7 mu g......A dynamic headspace sampling method for isolation of volatiles in fish has been developed. The sample preparation involved freezing of fish tissue in liquid nitrogen, pulverizing the tissue, and sampling of volatiles from an aqueous slurry of the fish powder. Similar volatile patterns were...

  18. Analysis of volatile components in a Chinese fish sauce,Fuzhou Yulu, by gas chromatography-mass spectrometry

    Institute of Scientific and Technical Information of China (English)

    Yuan-fan YANG; Shen-ru CHEN; Hui NI; Xing-qian YE

    2008-01-01

    Volatile components of Fuzhou Yulu, a Chinese fish sauce, were analyzed by gas chromatography-mass spectrometry (GC-MS), and two pretreatment methods, i.e., purge and trap (P&T) GC-MS and ethyl acetate extraction followed by GC-MS, were compared. P&T-GC-MS method determined 12 components, including sulfur-containing constituents (such as dimethyl disulfide), nitrogen-containing constituents (such as pyrazine derivatives), aldehydes and ketones. Ethyl ace tate extraction fol-lowed by GC-MS method detected 10 components, which were mainly volatile organic acids (such as benzenepropanoic acid) and esters. Neither of the two methods detected alcohols or trimethylamine. This study offers an important reference to determine volatile flavor components of traditional fish sauce through modem analysis methods.

  19. Determination of volatile compounds in four commercial samples of Japanese green algae using solid phase microextraction gas chromatography mass spectrometry.

    Science.gov (United States)

    Yamamoto, Masayoshi; Baldermann, Susanne; Yoshikawa, Keisuke; Fujita, Akira; Mase, Nobuyuki; Watanabe, Naoharu

    2014-01-01

    Green algae are of great economic importance. Seaweed is consumed fresh or as seasoning in Japan. The commercial value is determined by quality, color, and flavor and is also strongly influenced by the production area. Our research, based on solid phase microextraction gas chromatography mass spectrometry (SPME-GC-MS), has revealed that volatile compounds differ intensely in the four varieties of commercial green algae. Accordingly, 41 major volatile compounds were identified. Heptadecene was the most abundant compound from Okayama (Ulva prolifera), Tokushima (Ulva prolifera), and Ehime prefecture (Ulva linza). Apocarotenoids, such as ionones, and their derivatives were prominent volatiles in algae from Okayama (Ulva prolifera) and Tokushima prefecture (Ulva prolifera). Volatile, short chained apocarotenoids are among the most potent flavor components and contribute to the flavor of fresh, processed algae, and algae-based products. Benzaldehyde was predominant in seaweed from Shizuoka prefecture (Monostroma nitidum). Multivariant statistical analysis (PCA) enabled simple discrimination of the samples based on their volatile profiles. This work shows the potential of SPME-GC-MS coupled with multivariant analysis to discriminate between samples of different geographical and botanical origins and form the basis for development of authentication methods of green algae products, including seasonings.

  20. Mass transport through defected bentonite plugs

    Energy Technology Data Exchange (ETDEWEB)

    Oscarson, D.W.; Dixon, D.A.; Hume, H.B

    1996-07-01

    Compacted bentonite-based materials are important barriers in many waste containment strategies. To function as effective barriers, however, these materials must maintain their low water permeability and molecular diffusivity for long periods of time under a variety of environmental conditions. Here we examine the permeability and diffusivity of compacted bentonite plugs that were either slotted, to mimic fractures, parallel to the direction of mass flow or heated at 150 and 250{sup o}C for several weeks at various moisture contents before testing. The dry density of the plugs ranged from about 0.9 to 1.3 Mg/m{sup 3}. The results show that the saturated hydraulic conductivity and diffusivity (for I{sup -} and Cs{sup +}) of the treated or 'defected' bentonite plugs are essentially the same as those of untreated plugs at similar densities. This provides confidence that compacted bentonitic materials can function effectively as barriers for long periods of time under a range of environmental conditions. (author)

  1. [Analysis of volatile constituents in leaves of three cypress species by gas chromatography/mass spectrometry].

    Science.gov (United States)

    Hao, Dejun; Zhang, Yonghui; Dai, Huaguo; Wang, Yan

    2006-03-01

    Volatile oils in leaves of three cypress species were extracted by hydrodistillation method and analyzed by gas chromatography/mass spectrometry. Sixty-four constituents were separated and identified. The majority of the components were found to be monoterpenes and sesquiterpenes. There were 33, 37, 37 compounds in the oils of leaves of Sabina chinensis (L.) Ant, Cupressus lusitanica 'zhongshan' Mill and Sabina chinensis (L.) Ant. Cv. Kaizuca, respectively. Fourteen compounds were common to them, which were thujene, alpha-pinene, camphene, sabinene, beta-myrcene, alpha-terpinene, gamma-terpinene, alpha-terpinolene, bornyl acetate, beta-elemene, alpha-amorphene, germacrene D, delta-cadinene and elemol. In addition, each species had particular compounds. The main components were found to be: sabinene (20.99%), limonene (19.78%) and bornyl acetate (11.68%) for Sabina chinensis (L.) Ant; alpha-pinene (10.39%), sabinene (11.19%) and delta-3-carene (8.88%) for Cupressus lusitanica 'zhongshan' Mill; limonene (24.56%), beta-myrcene (8.04%) for Sabina chinensis (L.) Ant. Cv. Kaizuca.

  2. Nanogram-scale preparation and NMR analysis for mass-limited small volatile compounds.

    Directory of Open Access Journals (Sweden)

    Satoshi Nojima

    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.

  3. Fundamental mass transfer modeling of emission of volatile organic compounds from building materials

    Science.gov (United States)

    Bodalal, Awad Saad

    In this study, a mass transfer theory based model is presented for characterizing the VOC emissions from building materials. A 3-D diffusion model is developed to describe the emissions of volatile organic compounds (VOCs) from individual sources. Then the formulation is extended to include the emissions from composite sources (system comprising an assemblage of individual sources). The key parameters for the model (The diffusion coefficient of the VOC in the source material D, and the equilibrium partition coefficient k e) were determined independently (model parameters are determined without the use of chamber emission data). This procedure eliminated to a large extent the need for emission testing using environmental chambers, which is costly, time consuming, and may be subject to confounding sink effects. An experimental method is developed and implemented to measure directly the internal diffusion (D) and partition coefficients ( ke). The use of the method is illustrated for three types of VOC's: (i) Aliphatic Hydrocarbons, (ii) Aromatic Hydrocarbons and ( iii) Aldehydes, through typical dry building materials (carpet, plywood, particleboard, vinyl floor tile, gypsum board, sub-floor tile and OSB). Then correlations for predicting D and ke based solely on commonly available properties such as molecular weight and vapour pressure were proposed for each product and type of VOC. These correlations can be used to estimate the D and ke when direct measurement data are not available, and thus facilitate the prediction of VOC emissions from the building materials using mass transfer theory. The VOC emissions from a sub-floor material (made of the recycled automobile tires), and a particleboard are measured and predicted. Finally, a mathematical model to predict the diffusion coefficient through complex sources (floor adhesive) as a function of time was developed. Then this model (for diffusion coefficient in complex sources) was used to predict the emission rate from

  4. Mass transport around comets and its impact on the seasonal differences in water production rates

    Energy Technology Data Exchange (ETDEWEB)

    Rubin, M.; Altwegg, K.; Thomas, N. [Physikalisches Institut, University of Bern, Sidlerstrasse 5, 3012 Bern (Switzerland); Fougere, N.; Combi, M. R.; Tenishev, V. M. [Atmospheric, Oceanic and Space Sciences, University of Michigan, 2455 Hayward Street, Ann Arbor, MI 48109 (United States); Le Roy, L. [Center for Space and Habitability, University of Bern, Sidlerstrasse 5, 3012 Bern (Switzerland)

    2014-06-20

    Comets are surrounded by a thin expanding atmosphere, and although the nucleus' gravity is small, some molecules and grains, possibly with the inclusion of ices, can get transported around the nucleus through scattering (atoms/molecules) and gravitational pull (grains). Based on the obliquity of the comet, it is also possible that volatile material and icy grains get trapped in regions, which are in shadow until the comet passes its equinox. When the Sun rises above the horizon and the surface starts to heat up, this condensed material starts to desorb and icy grains will sublimate off the surface, possibly increasing the comet's neutral gas production rate on the outbound path. In this paper we investigate the mass transport around the nucleus, and based on a simplified model, we derive the possible contribution to the asymmetry in the seasonal gas production rate that could arise from trapped material released from cold areas once they come into sunlight. We conclude that the total amount of volatiles retained by this effect can only contribute up to a few percent of the asymmetry observed in some comets.

  5. Isolation and quantification of volatiles in fish by dynamic headspace sampling and mass spectrometry.

    Science.gov (United States)

    Refsgaard, H H; Haahr, A M; Jensen, B

    1999-03-01

    A dynamic headspace sampling method for isolation of volatiles in fish has been developed. The sample preparation involved freezing of fish tissue in liquid nitrogen, pulverizing the tissue, and sampling of volatiles from an aqueous slurry of the fish powder. Similar volatile patterns were determined by use of this sample preparation method and for samples chewed for 10 s. Effects of sampling time, temperature, and purge flow on level of volatiles were tested. Purging at 340 mL/min for 30 min at 45 degrees C was found to be optimal. Detection limits for a number of aldehydes were 0.2-2.7 microg/kg. Levels of volatiles are given for fresh salmon, cod, saithe, mackerel, and redfish.

  6. Optical Field-Induced Mass Transport in Soft Materials

    Science.gov (United States)

    Teteris, J.; Reinfelde, M.; Aleksejeva, J.; Gertners, U.

    The dependence of the surface relief formation in amorphous chalcogenide (As2S3 and As-S-Se) and Disperse Red 1 dye grafted polyurethane polymer films on the polarization state of holographic recording light beams was studied. It is shown that the direction of lateral mass transport on the film surface is determined by the direction of light electric vector and photoinduced anisotropy in the film. We propose a photoinduced dielectropfhoretic model to explain the photoinduced mass transport in amorphous films. Model is based on the photoinduced softening of the matrix, formation of defects with enhanced or decreased polarizability, and their drift under the electrical field gradient of light.

  7. Selected Topics on Mass Transport in Gas-solid Interactions

    DEFF Research Database (Denmark)

    Somers, Marcel A.J.

    2004-01-01

    The present article is a short review containing examples of the role of mass transport in the solid state during gas-solid interactions. Examples are taken from the authors' research on the interaction of carbon and/or nitrogen with iron-based metals. Topics dealt with are diffusion-controlled d......The present article is a short review containing examples of the role of mass transport in the solid state during gas-solid interactions. Examples are taken from the authors' research on the interaction of carbon and/or nitrogen with iron-based metals. Topics dealt with are diffusion...

  8. Direct Analysis of Volatile Organic Compounds in Foods by Headspace Extraction Atmospheric Pressure Chemical Ionisation Mass Spectrometry.

    Science.gov (United States)

    Perez-Hurtado, P; Palmer, E; Owen, T; Aldcroft, C; Allen, M H; Jones, J; Creaser, C S; Lindley, M R; Turner, M A; Reynolds, J C

    2017-08-30

    The rapid screening of volatile organic compounds (VOCs) by direct analysis has potential applications in the areas of food and flavour science. Currently the technique of choice for VOC analysis is gas chromatography-mass spectrometry (GC/MS). However, the long chromatographic run times and elaborate sample preparation associated with this technique have led a movement towards direct analysis techniques, such as selected ion flow tube mass spectrometry (SIFT-MS), proton transfer reaction mass spectrometry (PTR-MS) and electronic noses. The work presented here describes the design and construction of a Venturi jet-pump based modification for a compact mass spectrometer which enables the direct introduction of volatiles for qualitative and quantitative analysis. Volatile organic compounds were extracted from the headspace of heated vials into the atmospheric pressure chemical ionization source of a quadrupole mass spectrometer using a Venturi pump. Samples were analysed directly with no prior sample preparation. Principal component analysis was used to differentiate between different classes of samples RESULTS: The interface is shown to be able to routinely detect problem analytes such as fatty acids and biogenic amines without the requirement of a derivatisation step, and is shown to be able to discriminate between four different varieties of cheese with good intra and inter-day reproducibility using an unsupervised principal component analysis model. Quantitative analysis is demonstrated using indole standards with limits of detection and quantification of 0.395 μg/mL and 1.316 μg/mL, respectively. The described methodology can routinely detect highly reactive analytes such as volatile fatty acids and diamines without the need for a derivatisation step or lengthy chromatographic separations. The capability of the system was demonstrated by discriminating between different varieties of cheese and monitoring the spoilage of meats. This article is protected by

  9. Ion sampling and transport in Inductively Coupled Plasma Mass Spectrometry

    Science.gov (United States)

    Farnsworth, Paul B.; Spencer, Ross L.

    2017-08-01

    Quantitative accuracy and high sensitivity in inductively coupled plasma mass spectrometry (ICP-MS) depend on consistent and efficient extraction and transport of analyte ions from an inductively coupled plasma to a mass analyzer, where they are sorted and detected. In this review we examine the fundamental physical processes that control ion sampling and transport in ICP-MS and compare the results of theory and computerized models with experimental efforts to characterize the flow of ions through plasma mass spectrometers' vacuum interfaces. We trace the flow of ions from their generation in the plasma, into the sampling cone, through the supersonic expansion in the first vacuum stage, through the skimmer, and into the ion optics that deliver the ions to the mass analyzer. At each stage we consider idealized behavior and departures from ideal behavior that affect the performance of ICP-MS as an analytical tool.

  10. Detection of volatile compounds produced by microbial growth in urine by selected ion flow tube mass spectrometry (SIFT-MS).

    Science.gov (United States)

    Storer, Malina K; Hibbard-Melles, Kim; Davis, Brett; Scotter, Jenny

    2011-10-01

    Selected ion flow tube-mass spectrometry has been used to measure the volatile compounds occurring in the headspace of urine samples inoculated with common urinary tract infection (UTI)-causing microbes Escherichia coli, Proteus vulgaris, Pseudomonas aeruginosa, Staphylococcus aureus, Staphylococcus epidermidis, Klebsiella pneumoniae, Enterococcus faecalis, or Candida albicans. This technique has the potential to offer rapid and simple diagnosis of the causative agent of UTIs.

  11. Rapid Detection of Meat Spoilage by Measuring Volatile Organic Compounds by Using Proton Transfer Reaction Mass Spectrometry

    OpenAIRE

    Mayr, D; Margesin, R.; Klingsbichel, E.; E. Hartungen; Jenewein, D.; Schinner, F.; Märk, T.D.

    2003-01-01

    The evolution of the microbial spoilage population for air- and vacuum-packaged meat (beef and pork) stored at 4°C was investigated over 11 days. We monitored the viable counts (mesophilic total aerobic bacteria, Pseudomonas spp., Enterobacteriaceae, lactic acid bacteria, and Enterococcus spp.) by the microbiological standard technique and by measuring the emission of volatile organic compounds (VOCs) with the recently developed proton transfer reaction mass spectrometry system. Storage time,...

  12. Mass Transport Through Carbon Nanotube-Polystyrene Bundles

    Science.gov (United States)

    Lin, Rongzhou; Tran, Tuan

    2016-05-01

    Carbon nanotubes have been widely used as test channels to study nanofluidic transport, which has been found to have distinctive properties compared to transport of fluids in macroscopic channels. A long-standing challenge in the study of mass transport through carbon nanotubes (CNTs) is the determination of flow enhancement. Various experimental investigations have been conducted to measure the flow rate through CNTs, mainly based on either vertically aligned CNT membranes or individual CNTs. Here, we proposed an alternative approach that can be used to quantify the mass transport through CNTs. This is a simple method relying on the use of carbon nanotube-polystyrene bundles, which are made of CNTs pulled out from a vertically aligned CNT array and glued together by polystyrene. We experimentally showed by using fluorescent tagging that the composite bundles allowed measureable and selective mass transport through CNTs. This type of composite bundle may be useful in various CNT research areas as they are simple to fabricate, less likely to form macroscopic cracks, and offer a high density of CNT pores while maintaining the aligned morphology of CNTs.

  13. Triple Bioaffinity Mass Spectrometry Concept for Thyroid Transporter Ligands

    NARCIS (Netherlands)

    Aqai, P.; Fryganas, C.; Mizuguchi, M.; Haasnoot, W.; Nielen, M.W.F.

    2012-01-01

    For the analysis of thyroid transporter ligands, a triple bioaffinity mass spectrometry (BioMS) concept was developed, with the aim at three different analytical objectives: rapid screening of any ligand, confirmation of known ligands in accordance with legislative requirements, and identification o

  14. Fusarium Oxysporum Volatiles Enhance Plant Growth Via Affecting Auxin Transport and Signaling.

    Science.gov (United States)

    Bitas, Vasileios; McCartney, Nathaniel; Li, Ningxiao; Demers, Jill; Kim, Jung-Eun; Kim, Hye-Seon; Brown, Kathleen M; Kang, Seogchan

    2015-01-01

    Volatile organic compounds (VOCs) have well-documented roles in plant-plant communication and directing animal behavior. In this study, we examine the less understood roles of VOCs in plant-fungal relationships. Phylogenetically and ecologically diverse strains of Fusarium oxysporum, a fungal species complex that often resides in the rhizosphere of assorted plants, produce volatile compounds that augment shoot and root growth of Arabidopsis thaliana and tobacco. Growth responses of A. thaliana hormone signaling mutants and expression patterns of a GUS reporter gene under the auxin-responsive DR5 promoter supported the involvement of auxin signaling in F. oxysporum volatile-mediated growth enhancement. In addition, 1-naphthylthalamic acid, an inhibitor of auxin efflux, negated F. oxysporum volatile-mediated growth enhancement in both plants. Comparison of the profiles of volatile compounds produced by F. oxysporum strains that differentially affected plant growth suggests that the relative compositions of both growth inhibitory and stimulatory compounds may determine the degree of plant growth enhancement. Volatile-mediated signaling between fungi and plants may represent a potentially conserved, yet mostly overlooked, mechanism underpinning plant-fungus interactions and fungal niche adaption.

  15. Fusarium oxysporum volatiles enhance plant growth via affecting auxin transport and signaling

    Directory of Open Access Journals (Sweden)

    Vasileios eBitas

    2015-11-01

    Full Text Available Volatile organic compounds (VOCs have well-documented roles in plant-plant communication and directing animal behavior. In this study, we examine the less understood roles of VOCs in plant-fungal relationships. Phylogenetically and ecologically diverse strains of Fusarium oxysporum, a fungal species complex that often resides in the rhizosphere of assorted plants, produce volatile compounds that augment shoot and root growth of Arabidopsis thaliana and tobacco. Growth responses of A. thaliana hormone signaling mutants and expression patterns of a GUS reporter gene under the auxin-responsive DR5 promoter supported the involvement of auxin signaling in F. oxysporum volatile-mediated growth enhancement. In addition, 1-naphthylthalamic acid, an inhibitor of auxin efflux, negated F. oxysporum volatile-mediated growth enhancement in both plants. Comparison of the profiles of volatile compounds produced by F. oxysporum strains that differentially affected plant growth suggests that the relative compositions of both growth inhibitory and stimulatory compounds may determine the degree of plant growth enhancement. Volatile-mediated signaling between fungi and plants may represent a potentially conserved, yet mostly overlooked, mechanism underpinning plant-fungus interactions and fungal niche adaption.

  16. Determination of elemental composition of volatile organic compounds from Chinese rose oil by spectral accuracy and mass accuracy.

    Science.gov (United States)

    Zhou, Wei; Zhang, Yaheng; Xu, Hongliang; Gu, Ming

    2011-10-30

    Elemental composition determination of volatile organic compounds through high mass accuracy and isotope pattern matching could not be routinely achieved with a unit-mass resolution mass spectrometer until the recent development of the comprehensive instrument line-shape calibration technology. Through this unique technology, both m/z values and mass spectral peak shapes are calibrated simultaneously. Of fundamental importance is that calibrated mass spectra have symmetric and mathematically known peak shapes, which makes it possible to deconvolute overlapped monoisotopes and their (13)C-isotope peaks and achieve accurate mass measurements. The key experimental requirements for the measurements are to acquire true raw data in a profile or continuum mode with the acquisition threshold set to zero. A total of 13 ions from Chinese rose oil were analyzed with internal calibration. Most of the ions produced high mass accuracy of better than 5 mDa and high spectral accuracy of better than 99%. These results allow five tested ions to be identified with unique elemental compositions and the other eight ions to be determined as a top match from multiple candidates based on spectral accuracy. One of them, a coeluted component (Nerol) with m/z 154, could not be identified by conventional GC/MS (gas chromatography/mass spectrometry) and library search. Such effective determination for elemental compositions of the volatile organic compounds with a unit-mass resolution quadrupole system is obviously attributed to the significant improvement of mass accuracy. More importantly, high spectral accuracy available through the instrument line-shape calibration enables highly accurate isotope pattern recognition for unknown identification.

  17. Characterization of the Clostridium difficile volatile metabolome using comprehensive two-dimensional gas chromatography time-of-flight mass spectrometry.

    Science.gov (United States)

    Rees, Christiaan A; Shen, Aimee; Hill, Jane E

    2016-12-15

    Clostridium difficile is a bacterial pathogen capable of causing life-threatening infections of the gastrointestinal tract characterized by severe diarrhea. Exposure to certain classes of antibiotics, advanced age, and prolonged hospitalizations are known risk factors for infection by this organism. Anecdotally, healthcare providers have reported that they can smell C. difficile infections in their patients, and several studies have suggested that there may indeed be an olfactory signal associated with C. difficile-associated diarrhea. In this study, we sought to characterize the volatile molecules produced by an epidemic strain of C. difficile (R20291) using headspace solid-phase microextraction (HS-SPME) followed by two-dimensional gas chromatography time-of-flight mass spectrometry (GC×GC-TOFMS). We report on a set of 77 volatile compounds, of which 59 have not previously been associated with C. difficile growth in vitro. Amongst these reported compounds, we detect both straight-chain and branched-chain carboxylic acids, as well as p-cresol, which have been the primary foci of C. difficile volatile metabolomic studies to-date. We additionally report on novel sulfur-containing and carbonyl-containing molecules that have not previously been reported for C. difficile. With the identification of these novel C. difficile-associated volatile compounds, we demonstrate the superior resolution and sensitivity of GC×GC-TOFMS relative to traditional GC-MS. Copyright © 2016 Elsevier B.V. All rights reserved.

  18. DETERMINATION AND CLASSIFICATION OF VOLATILE COMPOUNDS OF PASTIRMA USING SOLID PHASE MICROEXTRACTION/GAS CHROMATOGRAPHY/MASS SPECTROMETRY

    Directory of Open Access Journals (Sweden)

    Eda Demirok

    2013-10-01

    Full Text Available Pastırma, a traditional dry cured Turkish meat product, has a great number of specific aroma compounds, which occur as a result of lipid oxidation, protein degradation and formulation of çemen paste. These compounds give characteristic flavor to pastırma and the main objective of this study was to determine the nature of these compounds. Fifty-eight volatile compounds, grouped into nine chemical classes were identified using solid phase microextraction technique (SPME coupled to gas chromatography/mass spectrometry (GC-MS. Aldehydes, mostly lipid oxidation products, were determined as the major chemical group, representing 17.54-78.02% of total volatile compounds. The major volatile aldehyde was hexanal (2.36-55.41%, followed by 2-methyl-2-butenal (0.97-14.69% and then heptanal (0.29-4.77%. Sulfur compounds possibly derived from spices or formed by proteolysis of sulfur-containing amino acids, were the second most abundant group, with concentrations ranging between 6.04 and 50.60%. Other important volatile compounds of pastırma were aliphatic hydrocarbons, aromatic ketones, hydrocarbons, esters, alcohols, acids, terpenes, and furans.

  19. Identification of signature volatiles to discriminate Candida albicans, glabrata, krusei and tropicalis using gas chromatography and mass spectrometry.

    Science.gov (United States)

    Hertel, Moritz; Hartwig, Stefan; Schütte, Eyke; Gillissen, Bernhard; Preissner, Robert; Schmidt-Westhausen, Andrea Maria; Paris, Sebastian; Kastner, Isabell; Preissner, Saskia

    2016-02-01

    Oral candidiasis is the most frequent fungal infection of the oral cavity. Clinical diagnoses require mycological confirmation, which is time-consuming in case of culture testing. The aim of the study was to identify signature volatiles to develop a chairside breath test to diagnose oral candidiasis. Headspaces above Candida albicans, glabrata, tropicalis, krusei cultures, and growth media as control were analysed after eight and 24 h using offline gas chromatography and mass spectrometry. The identification of signature volatiles was assisted using various microbial databases. Retrieved volatile patterns enabled Candida species discrimination in vitro. For C. albicans 3-methyl-2-butanone and styrene and for C. krusei a combination of p-xylene, 2-octanone, 2-heptanone and n-butyl acetate were found to be specific. 1-hexanol was found in C. tropicalis, but is emitted by a variety of other microorganisms. C. glabrata was characterised through the absence of these volatiles. The development of a breath test is a promising approach in confirming suspicions of oral candidiasis. To confirm the retrieved results in vivo, breath tests in affected and healthy subjects have to be performed. © 2015 Blackwell Verlag GmbH.

  20. Gas purge microsyringe extraction for quantitative direct gas chromatographic-mass spectrometric analysis of volatile and semivolatile chemicals.

    Science.gov (United States)

    Yang, Cui; Piao, Xiangfan; Qiu, Jinxue; Wang, Xiaoping; Ren, Chunyan; Li, Donghao

    2011-03-25

    Sample pretreatment before chromatographic analysis is the most time consuming and error prone part of analytical procedures, yet it is a key factor in the final success of the analysis. A quantitative and fast liquid phase microextraction technique termed as gas purge microsyringe extraction (GP-MSE) has been developed for simultaneous direct gas chromatography-mass spectrometry (GC-MS) analysis of volatile and semivolatile chemicals without cleanup process. Use of a gas flowing system, temperature control and a conventional microsyringe greatly increased the surface area of the liquid phase micro solvent, and led to quantitative recoveries of both volatile and semivolatile chemicals within short extraction time of only 2 min. Recoveries of polycyclic aromatic hydrocarbons (PAHs), organochlorine pesticides (OCPs) and alkylphenols (APs) determined were 85-107%, and reproducibility was between 2.8% and 8.5%. In particular, the technique shows high sensitivity for semivolatile chemicals which is difficult to achieve in other sample pretreatment techniques such as headspace-liquid phase microextraction. The variables affecting extraction efficiency such as gas flow rate, extraction time, extracting solvent type, temperature of sample and extracting solvent were investigated. Finally, the technique was evaluated to determine PAHs, APs and OCPs from plant and soil samples. The experimental results demonstrated that the technique is economic, sensitive to both volatile and semivolatile chemicals, is fast, simple to operate, and allows quantitative extraction. On-site monitoring of volatile and semivolatile chemicals is now possible using this technique due to the simplification and speed of sample treatment.

  1. Dynamic headspace gas chromatography/mass spectrometry characterization of volatiles produced in fish oil enriched mayonnaise during storage.

    Science.gov (United States)

    Hartvigsen, K; Lund, P; Hansen, L F; Holmer, G

    2000-10-01

    Protection against lipid oxidation and formation of unpleasant fishy and rancid off-flavors in oil-in-water food emulsions, such as fish oil enriched mayonnaise, is difficult to achieve. Volatile profiles from stored mayonnaises with different oil phase compositions were collected using a developed dynamic headspace sampling technique, in which interfering acetic acid was removed in situ with potassium hydroxide, and subsequently 148 volatiles were characterized and monitored by gas chromatography/mass spectrometry. Multivariate statistics showed correlation between the concentration of 62 volatiles and the fish oil and storage parameters, indicating the formation of lipid oxidation products, which impose fishy off-flavors. Further verification was obtained by gas chromatography/olfactometry, by which, among 78 odors, cis-4-heptenal and trans,cis-2,4-heptadienal were detected as distinct fishy notes. In total, 27 volatiles, including 1-penten-3-one, cis-2-penten-1-ol, cis-3-hexenal, cis-4-heptenal, 1-octen-3-one, 1,cis-5-octadien-3-one, 1-octen-3-ol, trans,cis-2, 4-heptadienal, and trans,cis-2,6-nonadienal, were suggested to contribute to the developed unpleasant fishy and rancid off-flavors.

  2. Thermodynamically coupled mass transport processes in a saturated clay

    Energy Technology Data Exchange (ETDEWEB)

    Carnahan, C.L.

    1984-11-01

    Gradients of temperature, pressure, and fluid composition in saturated clays give rise to coupled transport processes (thermal and chemical osmosis, thermal diffusion, ultrafiltration) in addition to the direct processes (advection and diffusion). One-dimensional transport of water and a solute in a saturated clay subjected to mild gradients of temperature and pressure was simulated numerically. When full coupling was accounted for, volume flux (specific discharge) was controlled by thermal osmosis and chemical osmosis. The two coupled fluxes were oppositely directed, producing a point of stagnation within the clay column. Solute flows were dominated by diffusion, chemical osmosis, and thermal osmosis. Chemical osmosis produced a significant flux of solute directed against the gradient of solute concentration; this effect reduced solute concentrations relative to the case without coupling. Predictions of mass transport in clays at nuclear waste repositories could be significantly in error if coupled transport processes are not accounted for. 14 references, 8 figures, 1 table.

  3. The role of mass transport in protein crystallization.

    Science.gov (United States)

    García-Ruiz, Juan Manuel; Otálora, Fermín; García-Caballero, Alfonso

    2016-02-01

    Mass transport takes place within the mesoscopic to macroscopic scale range and plays a key role in crystal growth that may affect the result of the crystallization experiment. The influence of mass transport is different depending on the crystallization technique employed, essentially because each technique reaches supersaturation in its own unique way. In the case of batch experiments, there are some complex phenomena that take place at the interface between solutions upon mixing. These transport instabilities may drastically affect the reproducibility of crystallization experiments, and different outcomes may be obtained depending on whether or not the drop is homogenized. In diffusion experiments with aqueous solutions, evaporation leads to fascinating transport phenomena. When a drop starts to evaporate, there is an increase in concentration near the interface between the drop and the air until a nucleation event eventually takes place. Upon growth, the weight of the floating crystal overcomes the surface tension and the crystal falls to the bottom of the drop. The very growth of the crystal then triggers convective flow and inhomogeneities in supersaturation values in the drop owing to buoyancy of the lighter concentration-depleted solution surrounding the crystal. Finally, the counter-diffusion technique works if, and only if, diffusive mass transport is assured. The technique relies on the propagation of a supersaturation wave that moves across the elongated protein chamber and is the result of the coupling of reaction (crystallization) and diffusion. The goal of this review is to convince protein crystal growers that in spite of the small volume of the typical protein crystallization setup, transport plays a key role in the crystal quality, size and phase in both screening and optimization experiments.

  4. Profile of volatile compounds in 11 brandies by headspace solid-phase microextraction followed by gas chromatography-mass spectrometry.

    Science.gov (United States)

    Zhao, Y; Xu, Y; Li, J; Fan, W; Jiang, W

    2009-03-01

    A headspace solid-phase microextraction (HS-SPME) method coupled with gas chromatography-mass spectrometry (GC-MS) was applied for the qualitative or semiquantitative characterization of brandy volatiles. SPME variables (SPME fiber, extraction temperature and time, and ethanol concentration) were optimized. A total of 144 compounds were from the brandies' volatiles, tentatively identified or identified by comparing mass spectra and retention indices of the standards or from literature. Of these, 57 are common to 11 brandies. They were mainly represented by esters and alcohols, such as 2-methyl propanol, 3-methyl butanol, 1-hexanol, ethyl octanoate, and ethyl decanoate, which were quantitatively determined. Chromatographic peaks were integrated using selective ion method (SIM) and the semiquantitative data analyzed using principal component analysis (PCA) and cluster analysis (CA) to study relationships between volatile composition and brandy. Eleven brandies were differentiated into 3 groups: 1 for Hennessy VSOP and XO samples, 1 for Changyu PEGASE VSOP and XO-1, 2, 3 samples, and the other for Changyu PEGASE brandy and VO, Taro brandy, Baiyang River brandy, and Wealth XO samples. The classification of groups is consistent with the brandy samples by variety and grade.

  5. Use of fiber interface direct mass spectrometry for the determination of volatile flavor release from model food systems.

    Science.gov (United States)

    Springett, M B; Rozier, V; Bakker, J

    1999-03-01

    Described in this paper is a fiber interface direct headspace mass spectrometric system for the real-time measurement of flavor release. The system was optimized for the detection of the garlic aroma volatile, diallyl disulfide, from water. Parameters investigated included interface temperature, flow rate through the fiber, flow rate through the sample vessel, and sample stir rate. The delay time for detection of sample after introduction into the sample vessel was determined as 43 s. The system proved to be reliable and robust with no loss in sensitivity or contamination of the mass spectrometer over a 6 month period. The technique was applied to a homologous series of aliphatic alcohols from C(2) to C(7). Results showed that as polarity decreased with increasing chain length the release of volatile into the headspace was faster and gave a higher maximum intensity. Release of the garlic aroma volatile from different commercial mayonnaise products clearly showed a decrease in the release of diallyl disulfide as fat content increased. These results demonstrate the potential of using this technique as a tool for understanding the complex interactions that occur between flavor compounds and the bulk food matrix.

  6. Mass and charge transport in micro and nanofluidic channels

    DEFF Research Database (Denmark)

    Mortensen, Niels Asger; Olesen, Laurits Højgaard; Okkels, Fridolin

    2007-01-01

    and charge transport coefficients that satisfy Onsager relations. In the limit of nonoverlapping Debye layers the transport coefficients are simply expressed in terms of parameters of the electrolyte as well as the hydraulic radiusR ¼ 2A=P with Aand P being the cross-sectional area and perimeter......We consider laminar flow of incompressible electrolytes in long, straight channels driven by pressure and electroosmosis. We use aHilbert space eigenfunction expansion to address the general problem of an arbitrary cross section and obtain general results in linear-response theory for the mass...

  7. Modelling aeolian sand transport using a dynamic mass balancing approach

    Science.gov (United States)

    Mayaud, Jerome R.; Bailey, Richard M.; Wiggs, Giles F. S.; Weaver, Corinne M.

    2017-03-01

    Knowledge of the changing rate of sediment flux in space and time is essential for quantifying surface erosion and deposition in desert landscapes. Whilst many aeolian studies have relied on time-averaged parameters such as wind velocity (U) and wind shear velocity (u*) to determine sediment flux, there is increasing field evidence that high-frequency turbulence is an important driving force behind the entrainment and transport of sand. At this scale of analysis, inertia in the saltation system causes changes in sediment transport to lag behind de/accelerations in flow. However, saltation inertia has yet to be incorporated into a functional sand transport model that can be used for predictive purposes. In this study, we present a new transport model that dynamically balances the sand mass being transported in the wind flow. The 'dynamic mass balance' (DMB) model we present accounts for high-frequency variations in the horizontal (u) component of wind flow, as saltation is most strongly associated with the positive u component of the wind. The performance of the DMB model is tested by fitting it to two field-derived (Namibia's Skeleton Coast) datasets of wind velocity and sediment transport: (i) a 10-min (10 Hz measurement resolution) dataset; (ii) a 2-h (1 Hz measurement resolution) dataset. The DMB model is shown to outperform two existing models that rely on time-averaged wind velocity data (e.g. Radok, 1977; Dong et al., 2003), when predicting sand transport over the two experiments. For all measurement averaging intervals presented in this study (10 Hz-10 min), the DMB model predicted total saltation count to within at least 0.48%, whereas the Radok and Dong models over- or underestimated total count by up to 5.50% and 20.53% respectively. The DMB model also produced more realistic (less 'peaky') time series of sand flux than the other two models, and a more accurate distribution of sand flux data. The best predictions of total sand transport are achieved using

  8. Study on seafood volatile profile characteristics during storage and its potential use for freshness evaluation by headspace solid phase microextraction coupled with gas chromatography-mass spectrometry.

    Science.gov (United States)

    Zhang, Zhuomin; Li, Gongke; Luo, Lin; Chen, Guonan

    2010-02-05

    Seafood volatile profile characteristics at different storage phases are various and can be used for freshness evaluation during storage. It is imperative to obtain the full volatile information prior to the further study of seafood volatile profile characteristics during storage. Also, the efficient data-processing method is another important factor for the interpretation of seafood volatile profile characteristics during storage and related potential volatile markers. In this work, a new analytical strategy, including the efficient sampling technique, sensitive detection and suitable data-processing method, for seafood freshness evaluation was developed based on the volatile profile characteristics during storage. First, the study of volatiles of seafood samples including razor clam, redspot swimming crab and prawn at different storage phases were conducted by headspace solid phase microextraction (HSSPME) followed by gas chromatography-mass spectrometry (GC-MS) detection. Then, seafood volatile profile characteristics at different storage phases were statistically interpreted by a combination data-processing method including normalization, principle component analysis (PCA) and common model strategy. The different seafood volatile profile characteristics and potential volatile markers were attempted to be distilled. The results tentatively suggested that the different seafood volatile profile characteristics during storage could reflect the transitional changing seafood freshness and provide more precise warning information for seafood spoilage during storage than any single chemical markers. This work developed an analytical method for study of seafood volatile profile characteristics and tentatively proposed a new idea of using seafood volatile profile characteristics during storage for the freshness evaluation from the point of view of analytical chemistry.

  9. Comparison of two common adsorption materials for thermal desorption gas chromatography - mass spectrometry of biogenic volatile organic compounds.

    Science.gov (United States)

    Marcillo, Andrea; Jakimovska, Viktorija; Widdig, Anja; Birkemeyer, Claudia

    2017-09-08

    Volatile organic compounds (VOCs) are commonly collected from gaseous samples by adsorption to materials such as the porous polymer Tenax TA. Adsorbed compounds are subsequently released from these materials by thermal desorption (TD) and separated then by gas chromatography (GC) with flame ionization (FID) or mass spectrometry (MS) detection. Tenax TA is known to be particularly suitable for non-polar to semipolar volatiles, however, many volatiles from environmental and biological samples possess a rather polar character. Therefore, we tested if the polymer XAD-2, which so far is widely used to adsorb organic compounds from aqueous and organic solvents, could provide a broader coverage for (semi)polar VOCs during gas-phase sampling. Mixtures of volatile compounds covering a wide range of volatility (bp. 20-256°C) and different chemical classes were introduced by liquid spiking into sorbent tubes with one of the two porous polymers, Tenax TA or XAD-2, and analyzed by TD/GC-MS. At first, an internal standard mixture composed of 17 authentic standards was used to optimize desorption temperature with respect to sorbent degradation and loading time for calibration. Secondly, we tested the detectability of a complex standard mixture composed of 57 volatiles, most of them common constituents of the body odor of mammals. Moreover, the performance of XAD-2 compared with Tenax TA was assessed as limit of quantitation and linearity for the internal standard mixture and 33 compounds from the complex standard mixture. Volatiles were analyzed in a range between 0.01-∼250ng/tube depending on the compound and material. Lower limits of quantitation were between 0.01 and 3 ng±0.9). Interestingly, we found different kinetics for compound adsorption with XAD-2, and a partially better sensitivity in comparison with Tenax TA. For these analytes, XAD-2 might be recommended as an alternative of Tenax TA for TD/GC-MS analysis. Copyright © 2017 Elsevier B.V. All rights reserved.

  10. [Determination of chemical components of volatile oil from Cuminum cyminum L. by gas chromatography-mass spectrometry].

    Science.gov (United States)

    Yan, Jian-hui; Tang, Ke-wen; Zhong, Ming; Deng, Ning-hua

    2002-11-01

    Volatile oil was extracted from Cuminum cyminum L. by using steam distillation. More than sixty peaks were separated and 49 compounds were identified by gas chromatography-mass spectrometry (GC-MS). The relative amounts of the components were determined by area normalization method. Among the 49 compounds identified, there were 16 hydrocarbons and 32 oxygenated compounds. The main compnents were cuminal and safranal (accounting for 32.26% and 24.46% respectively in the components identified). The other nine compounds with contents all over 1%, were monterpenes, sesquiterpenes, aromatic aldehydes and aromatic oxides etc. The other components with relatively small amounts were chiefly terpenes, terpenols, terpenals, terpenones, terpene esters and aromatic compounds. It is good to separate polar and apolar components in the volatile oil from Cuminum cyminum L. on the GC capillary column of moderate polarity.

  11. Determination of the volatile composition in brown millet, milled millet and millet bran by gas chromatography/mass spectrometry.

    Science.gov (United States)

    Liu, Jingke; Tang, Xia; Zhang, Yuzong; Zhao, Wei

    2012-02-24

    The volatile compounds from brown millet (BM), milled millet (MM) and millet bran (MB) were extracted using simultaneous distillation/extraction with a Likens-Nickerson apparatus. The extracts were analysed using gas chromatography coupled with mass spectrometry (GC-MS). A total of 65 volatile compounds were identified in all of the samples. Among these compounds, 51, 51 and 49 belonged to BM, MM and MB, respectively. Aldehydes and benzene derivatives were the most numerous among all of the compounds. Three compounds (hexanal, hexadecanoic acid and 2-methylnaphthalene) were dominant in the BM and MM materials. Eight compounds (hexanal, nonanal, (E)-2-nonenal, naphthalene, 2-methylnaphthalene, 1-methylnaphthalene, hexadecanoic acid and 2-pentylfuran) were dominant in the MB materials. Apart from the aromatic molecules, which were present in all fractions, compounds present only in BM, MM or MB were also identified.

  12. Headspace solvent microextraction-gas chromatography-mass spectrometry for the analysis of volatile compounds from Foeniculum vulgare Mill.

    Science.gov (United States)

    Fang, Lianghua; Qi, Meiling; Li, Ting; Shao, Qinglong; Fu, Ruonong

    2006-06-07

    A novel and rapid headspace solvent microextraction followed by gas chromatography-mass spectrometry (HSME-GC-MS) for the analysis of the volatile compounds of Foeniculum vulgare Mill is described. HSME parameters including extracting solvent, extraction temperature and time, headspace volume and particle size were optimized. As a result, benzyl alcohol was finally used for the extraction at 70 degrees C for 20 min with headspace volume of 12.1 ml and particle size of 120 mesh. Under the determined conditions, the powered samples of Foeniculum vulgare Mill were directly applied for the analysis. A comparison of HSME-GC-MS, solid phase microextraction (SPME)-GC-MS and steam distillation (SD)-GC-MS methods was made and showed that the HSME-GC-MS method was simple, inexpensive and effective and can be used for the analysis of volatile compounds in traditional Chinese medicines (TCMs).

  13. Mass transport in a microchannel bioreactor with a porous wall.

    Science.gov (United States)

    Chen, Xiao Bing; Sui, Yi; Lee, Heow Pueh; Bai, Hui Xing; Yu, Peng; Winoto, S H; Low, Hong Tong

    2010-06-01

    A two-dimensional flow model has been developed to simulate mass transport in a microchannel bioreactor with a porous wall. A two-domain approach, based on the finite volume method, was implemented. For the fluid part, the governing equation used was the Navier-Stokes equation; for the porous medium region, the generalized Darcy-Brinkman-Forchheimer extended model was used. For the porous-fluid interface, a stress jump condition was enforced with a continuity of normal stress, and the mass interfacial conditions were continuities of mass and mass flux. Two parameters were defined to characterize the mass transports in the fluid and porous regions. The porous Damkohler number is the ratio of consumption to diffusion of the substrates in the porous medium. The fluid Damkohler number is the ratio of the substrate consumption in the porous medium to the substrate convection in the fluid region. The concentration results were found to be well correlated by the use of a reaction-convection distance parameter, which incorporated the effects of axial distance, substrate consumption, and convection. The reactor efficiency reduced with reaction-convection distance parameter because of reduced reaction (or flux), and smaller local effectiveness factor due to the lower concentration in Michaelis-Menten type reactions. The reactor was more effective, and hence, more efficient with the smaller porous Damkohler number. The generalized results could find applications for the design of bioreactors with a porous wall.

  14. Can clouds enhance long-range transport of low volatile, ionizable and surface-active chemicals?

    DEFF Research Database (Denmark)

    Franco, Antonio; Trapp, Stefan

    2011-01-01

    were run for a constant emission to the atmospheric boundary layer to identify key model inputs. The degradation rate, the duration of dry and wet periods and the parameters describing air-water bulk partitioning (KAW and T) and ionization (pKa and pH) determine the residence time in the ABL....... The longer residence time predicted for some compounds in the LMT is due to the capacity of clouds to sorb non-volatile molecules in the liquid water and at the interface of cloud droplets. The efficiency of wet deposition to remove low volatile organic pollutants from the atmosphere is limited primarily...

  15. A Coupled Chemical and Mass Transport Model for Concrete Durability

    DEFF Research Database (Denmark)

    Jensen, Mads Mønster; Johannesson, Björn; Geiker, Mette Rica

    2012-01-01

    curves which is established from a set of mathematical criteria. The chemical degradation is modelled with the geochemical code iphreeqc, which provides a general tool for evaluating different paste compositions. The governing system of equations is solved by the finite element method with a Newton......-Raphson iteration scheme arising from the non-linearity. The overall model is a transient problem, solved using a single parameter formulation. The sorption hysteresis and chemical equilibrium is included as source or sink terms. The advantages with this formulation is that each node in the discrete system has......In this paper a general continuum theory is used to evaluate the service life of cement based materials, in terms of mass transport processes and chemical degradation of the solid matrix. The model established is a reactive mass transport model, based on an extended version of the Poisson...

  16. STM tip-mediated mass transport on Cu surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Sun, Y.S.N. [College of Physical Science and Technology, Shenyang Normal University, Huanghe Street 253, Shenyang 110034 (China); Huang, R.Z., E-mail: renzhonghuang@synu.edu.cn [College of Physical Science and Technology, Shenyang Normal University, Huanghe Street 253, Shenyang 110034 (China); Gao, T.F. [College of Physical Science and Technology, Shenyang Normal University, Huanghe Street 253, Shenyang 110034 (China); Zhang, R.J. [School of Information Science and Engineering, Fudan University, Handan Road 220, Shanghai 200433 (China); Wang, Y.M. [Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, Wenhua Road 72, Shenyang 110016 (China)

    2015-02-01

    Highlights: • Tip-induced atomic motion of Co atoms embedded in the Cu (0 0 1) surface in the presence of vacancies. • Interlayer mass transport at the island edge is found to depend strongly on the tip height and the lateral distance from the tip. • The jumping and the Ehrlich–Schwoebel (E–S) diffusion barrier can be reduced by tip manipulation. - Abstract: Atomic-scale simulations are performed to study atomic motion on Cu surfaces to illustrate the effect of the scanning tunneling microscopy tip on mass transport (MT) in the surfaces and on top of the Co island in heteroepitaxial Co/Cu(0 0 1) and Co/Cu(1 1 1) systems. First we investigate tip-induced atomic motion of Co atoms embedded in the Cu(0 0 1) surface at zero bias voltage. With the help of the tip, the Co atom in the surface can freely diffuse toward its nearby vacancy site. So-called vacancy mechanism is used to interpret this phenomenon. Then tip-mediated atomic motion of Co adatoms on the Co islands supported by a Cu(1 1 1) surface is studied. It is revealed that the tip has a significant effect on the diffusion of adatoms on the islands and interlayer mass transport at the island edge. Interlayer mass transport at the island edge is found to depend strongly on the tip height and the lateral distance from the tip. By calculating the diffusion barriers, it is found that the jumping diffusion barrier on the island can be zero by the tip vertical manipulation while the Ehrlich–Schwoebel diffusion barrier at the island edge can be reduced by the tip lateral manipulation. Thus, the quality of thin films can be improved by controlling MT in and/or on the surface.

  17. Miocene mass-transport sediments, Troodos Massif, Cyprus

    Science.gov (United States)

    Lord, A.R.; Harrison, R.W.; BouDagher-Fadel, M.; Stone, B.D.; Varol, O.

    2009-01-01

    Sediment mass-transport layers of submarine origin on the northern and southern flanks of the Troodos ophiolitic massif are dated biostratigraphically as early Miocene and late Miocene, respectively and therefore represent different seismogenic events in the uplift and erosional history of the Troodos terrane. Analysis of such events has potential for documenting Miocene seismic and uplift events regionally in the context of changing stress field directions and plate vectors through time. ?? 2009 The Geologists' Association.

  18. Mass transport thermodynamics in nonisothermal molecular liquid mixtures

    Energy Technology Data Exchange (ETDEWEB)

    Semenov, Semen N [Institute for Biochemical Physics, Russian Academy of Sciences, Moscow (Russian Federation); Schimpf, M E [Department of Chemistry and Biochemistry, Boise State University, Boise, ID (United States)

    2009-10-31

    Mass transport in a nonisothermal binary molecular mixture is systematically discussed in terms of nonequilibrium thermodynamics, which for the first time allows a consistent and unambiguous description of the process. The thermodynamic and hydrodynamic approaches are compared, revealing that nonequilibrium thermodynamics and physicochemical hydrodynamics yield essentially the same results for molecular systems. The applicability limits for the proposed version of the thermodynamic approach are determined for large particles. (methodological notes)

  19. Membranes for nanometer-scale mass fast transport

    Science.gov (United States)

    Bakajin, Olgica; Holt, Jason; Noy, Aleksandr; Park, Hyung Gyu

    2011-10-18

    Nanoporous membranes comprising single walled, double walled, and multiwalled carbon nanotubes embedded in a matrix material were fabricated for fluid mechanics and mass transfer studies on the nanometer scale and commercial applications. Average pore size can be 2 nm to 20 nm, or seven nm or less, or two nanometers or less. The membrane can be free of large voids spanning the membrane such that transport of material such as gas or liquid occurs exclusively through the tubes. Fast fluid, vapor, and liquid transport are observed. Versatile micromachining methods can be used for membrane fabrication. A single chip can comprise multiple membranes. These membranes are a robust platform for the study of confined molecular transport, with applications in liquid and gas separations and chemical sensing including desalination, dialysis, and fabric formation.

  20. RWPV bioreactor mass transport: earth-based and in microgravity

    Science.gov (United States)

    Begley, Cynthia M.; Kleis, Stanley J.

    2002-01-01

    Mass transport and mixing of perfused scalar quantities in the NASA Rotating Wall Perfused Vessel bioreactor are studied using numerical models of the flow field and scalar concentration field. Operating conditions typical of both microgravity and ground-based cell cultures are studied to determine the expected vessel performance for both flight and ground-based control experiments. Results are presented for the transport of oxygen with cell densities and consumption rates typical of colon cancer cells cultured in the RWPV. The transport and mixing characteristics are first investigated with a step change in the perfusion inlet concentration by computing the time histories of the time to exceed 10% inlet concentration. The effects of a uniform cell utilization rate are then investigated with time histories of the outlet concentration, volume average concentration, and volume fraction starved. It is found that the operating conditions used in microgravity produce results that are quite different then those for ground-based conditions. Mixing times for microgravity conditions are significantly shorter than those for ground-based operation. Increasing the differential rotation rates (microgravity) increases the mixing and transport, while increasing the mean rotation rate (ground-based) suppresses both. Increasing perfusion rates enhances mass transport for both microgravity and ground-based cases, however, for the present range of operating conditions, above 5-10 cc/min there are diminishing returns as much of the inlet fluid is transported directly to the perfusion exit. The results show that exit concentration is not a good indicator of the concentration distributions in the vessel. In microgravity conditions, the NASA RWPV bioreactor with the viscous pump has been shown to provide an environment that is well mixed. Even when operated near the theoretical minimum perfusion rates, only a small fraction of the volume provides less than the required oxygen levels

  1. Anthropogenic non-methane volatile hydrocarbons at Mt. Cimone (2165 m a.s.l., Italy): Impact of sources and transport on atmospheric composition

    Science.gov (United States)

    Lo Vullo, Eleonora; Furlani, Francesco; Arduini, Jgor; Giostra, Umberto; Graziosi, Francesco; Cristofanelli, Paolo; Williams, Martin L.; Maione, Michela

    2016-09-01

    To advance our understanding of the factors that affect pollution in mountainous areas, long-term, high frequency measurements of thirteen Non Methane Volatile Organic Compounds (NMVOCs) have been carried out at the atmospheric observatory on the top of Mt. Cimone (2165 m a.s.l.), whose location is ideal for sampling both aged air masses representing the regional background and polluted air masses coming from nearby sources of anthropogenic pollution. An analysis of the NMVOC time series available at Mt. Cimone during 2010-2014 was used to examine the influence of transport processes on NMVOC atmospheric composition and to derive information on the emission sources. We performed a multifactor principal component analysis whose results allowed us to identify the source categories emitting the NMVOCs measured at Mt. Cimone as well as to assess transport ranges in winter and summer. Aged air masses, due to long-range transport and related to vehicular traffic exhaust emissions accounted for 78% of the NMVOC variability in winter and 62% in summer, whereas evaporative emissions, likely to be associated with fresh emissions from nearby sources, accounted for 12% of the NMVOC variability and 24% in winter and summer, respectively. Such results have been confirmed by a further analysis in which the NMVOC variability as a function of their atmospheric lifetimes has been evaluated. The ratios of alkane isomers potentially provides a metric to investigate seasonal changes in NMVOCs composition and in the emission fields of butanes and pentanes, suggesting that during the summer the butanes are originating mainly from the European domain and that for pentanes non-anthropogenic sources may be contributing to the measured concentrations.

  2. SCREENING PROCESSED MILK FOR VOLATILE ORGANIC COMPOUNDS USING VACUUM DISTILLATION/GAS CHROMATOGRAPHY/MASS SPECTROMETRY

    Science.gov (United States)

    An adaptation of Office of Solid Waste and Emergency Response' Test Methods for Evaluating Solid Waste Physical/Chemical Methods (SW-846) method 8261 to analyze milk for an expanded list of volatile organic compounds is presented. The milk matriz exhibits a strong affinity for o...

  3. Removal of volatile organic compounds in vertical flow filters: predictions from Reactive Transport Modeling

    NARCIS (Netherlands)

    De Biase, C.; Maier, U.; Baeder-Bederski, O.; Bayer, P.; Oswald, S.E.; Thullner, M.

    2011-01-01

    Vertical flow filters are containers filled with porous medium that are recharged from top and drained at the bottom, and are operated at partly saturated conditions. They have recently been suggested as treatment technology for groundwater containing volatile organic compounds (VOCs). Numerical rea

  4. Removal of volatile organic compounds in vertical flow filters: predictions from Reactive Transport Modeling

    NARCIS (Netherlands)

    De Biase, C.; Maier, U.; Baeder-Bederski, O.; Bayer, P.; Oswald, S.E.; Thullner, M.

    2011-01-01

    Vertical flow filters are containers filled with porous medium that are recharged from top and drained at the bottom, and are operated at partly saturated conditions. They have recently been suggested as treatment technology for groundwater containing volatile organic compounds (VOCs). Numerical rea

  5. Transport and biodegradation of volatile organic compounds : influence on vapor intrusion into buildings

    NARCIS (Netherlands)

    Picone, S.

    2012-01-01

    Vapor intrusion occurs when volatile subsurface contaminants, migrating from the saturated zone through the unsaturated zone, accumulate in buildings. It is often the most relevant pathway for human health risks at contaminated sites, especially in urban areas; yet its assessment is controversial. F

  6. Removal of volatile organic compounds in vertical flow filters: predictions from Reactive Transport Modeling

    NARCIS (Netherlands)

    De Biase, C.; Maier, U.; Baeder-Bederski, O.; Bayer, P.; Oswald, S.E.; Thullner, M.

    2011-01-01

    Vertical flow filters are containers filled with porous medium that are recharged from top and drained at the bottom, and are operated at partly saturated conditions. They have recently been suggested as treatment technology for groundwater containing volatile organic compounds (VOCs). Numerical

  7. On Matrix-Valued Monge–Kantorovich Optimal Mass Transport

    Science.gov (United States)

    Ning, Lipeng; Georgiou, Tryphon T.; Tannenbaum, Allen

    2016-01-01

    We present a particular formulation of optimal transport for matrix-valued density functions. Our aim is to devise a geometry which is suitable for comparing power spectral densities of multivariable time series. More specifically, the value of a power spectral density at a given frequency, which in the matricial case encodes power as well as directionality, is thought of as a proxy for a “matrix-valued mass density.” Optimal transport aims at establishing a natural metric in the space of such matrix-valued densities which takes into account differences between power across frequencies as well as misalignment of the corresponding principle axes. Thus, our transportation cost includes a cost of transference of power between frequencies together with a cost of rotating the principle directions of matrix densities. The two endpoint matrix-valued densities can be thought of as marginals of a joint matrix-valued density on a tensor product space. This joint density, very much as in the classical Monge–Kantorovich setting, can be thought to specify the transportation plan. Contrary to the classical setting, the optimal transport plan for matrices is no longer supported on a thin zero-measure set. PMID:26997667

  8. Incorporating the value of changes in price volatility into cost-benefit analysis-an application to oil prices in the transport sector

    DEFF Research Database (Denmark)

    Jensen, Thomas Christian; Møller, Flemming

    2010-01-01

    in the policy assessment taking into account the most significant correlations between prices of alternative fuels and between fuel prices and consumption in general. In the present paper, a method of valuing changes in price volatility based on portfolio theory is applied to some very simple transport......This paper contains a tentative suggestion of how to take into account the value of changes in price volatility in real world cost-benefit analyses. Price volatility is an important aspect of security of supply which first of all concerns physical availability, but assuming that consumers are risk...... averse, security of supply can also be viewed as a matter of avoiding oscillations in consumption originating from volatile prices of for instance oil. When the government makes transport-related choices on behalf of the consumers, the effect on oscillations in general consumption should be included...

  9. Ultrasonic Nebulization Extraction Coupled with Gas Chromatography-Mass Spectrometry for Analysis of Volatile Components in Traditional Chinese Patent Medicine

    Institute of Scientific and Technical Information of China (English)

    LIANG Yue; WANG Lu; WANG Zi-ming; YU Cui; ZHANG Han-qi; SHI Yu-hua

    2011-01-01

    The ultrasonic nebulization extraction(UNE) was developed and applied to the extraction of volatile components from traditional Chinese patent medicine Xiaoyao Pills. Several parameters of ultrasonic nebulization extraction including the sample particle size, solvent volume, extraction time and ultrasonic power were studied and selected. As a result, 2.4 g of sample with particle size of 80 mesh was extracted with 15 mL of n-hexane for 20 min at an ultrasonic power of 35 W. The volatile components were analyzed by gas chromatography-mass spectrometry (GC-MS) under the optimal conditions and 57 compounds were identified. The precision, repeatability and stability of the proposed method were also studied. Compared with ultrasonic-assisted extraction(UAE) and hydrodistillation(HD) extraction, the proposed method is more efficient, faster and easier to be operated at room temperature with smaller sample and energy consumption. It is suggested that the ultrasonic nebulization extraction can be used as a novel alternative method for the extraction of volatile components from traditional Chinese patent medicine.

  10. Comparison of tomatillo and tomato volatile compounds in the headspace by selected ion flow tube mass spectrometry (SIFT-MS).

    Science.gov (United States)

    Xu, Yichi; Barringer, Sheryl

    2010-04-01

    The concentration of 31 volatiles were measured in the headspace of tomatillos using selected ion flow tube-mass spectrometry (SIFT-MS), and were compared with those in vine-ripened tomato, roma tomato, cherry tomato, and grape tomato. None of the volatiles were higher in the headspace of tomatillos than of tomatoes. Compounds (E)-2-octenal, (E)-2-pentenal, 2-isobutylthiazole, 6-methyl-5-hepten-2-one, and phenylacetaldehyde were significantly lower in tomatillo than in the tomato varieties in the headspace. After blending, volatiles in the headspace increased, and then decreased after reaching a maximum concentration, due to further degradation or depletion. Compounds (E)-2-pentenal and 1-penten-3-one reached a maximum concentration later than (E)-2-hexenal, (Z)-3-hexenal, and hexanal for tomatillo and tomatoes. The slope of the ratio of (E)-2-hexenal and (Z)-3-hexenal was not significantly different for any of the samples, implying that the activity of cis/trans isomerase was not different between tomatillos and tomatoes.

  11. Volatile composition of Catharanthus roseus (L.) G. Don using solid-phase microextraction and gas chromatography/mass spectrometry.

    Science.gov (United States)

    De Pinho, P Guedes; Gonçalves, Rui F; Valentão, Patrícia; Pereira, David M; Seabra, Rosa M; Andrade, Paula B; Sottomayor, Mariana

    2009-04-05

    A total of 88 volatile and semi-volatile components were formally or tentatively identified in flowers, leaves and stems of Catharanthus roseus (L.) G. Don (cv. Little Bright Eye), by headspace solid-phase microextraction (HS-SPME) and by dichloromethane extraction, combined with gas chromatography-mass spectrometry (GC-MS). These include some diterpenic compounds (manool and manoyl oxides), a sesquiterpen (alpha-bisabolol), and some pyridine, pyrazine, indol and carotenoid derivatives. Applying multivariate analysis (principal component analysis and agglomerative hierarchic cluster analysis) to the HS-SPME-GC-MS data, it was possible to characterize each part of the vegetal material using a relative small number of compounds. Hence, flowers were richer in terpenic molecules (including limonene), alpha-bisabolol, methyljasmonate, cis-jasmone, 2-phenylethanol, phenylacetaldehyde, trans-2-octenal, benzylic alcohol and 2-isobutyl-3-methoxypyrazine. Leaves can be characterized by the methyl and propyl esters of fatty acids, mono- and disaturated, trans-phytol, carotenoid derivative compounds, hydrofarnesylacetone, methylanthranilate, manool and epi-manool oxide, while stems have high levels of volatile aldehydes, such as hexanal, octanal, cis-2-nonenal, cis-2-decenal, cis, trans-2,6-nonadienal, trans, trans-2,4-decadienal and cis, trans-2,4-decadienal. Dichloromethane extraction allowed also the identification of some alkaloid-like compounds that were not detected by HS-SPME.

  12. Microextraction and Gas Chromatography/Mass Spectrometry for improved analysis of geosmin and other fungal "off" volatiles in grape juice.

    Science.gov (United States)

    Morales-Valle, H; Silva, L C; Paterson, R R M; Oliveira, J M; Venâncio, A; Lima, N

    2010-10-01

    Geosmin is a volatile fungal metabolite with an earthy aroma produced in grape products from rotten grapes. The accumulation of geosmin in grapes is caused by the interaction of Botrytis cinerea and Penicillium expansum. Solid Phase Microextraction (SPME) has great utility for collecting volatile compounds in wine. However, contamination with earthy odours may have occurred previously in the must and novel methods are required for this commodity. In the present report, several parameters of the SPME were evaluated to optimize geosmin extraction. The method permitted quantification of geosmin and other fungal volatiles by Gas Chromatography-Mass Spectrometer (GC-MS) at very low concentrations. Limits of detection and quantification (L(D) and L(Q)) for geosmin were 4.7 ng L(-1) and 15.6 ng L(-1) respectively. The RSD was 4.1% and the recovery rates ranged from 115% to 134%. Uniquely, haloanisoles were analyzed by using only one internal standard (2,3,6-trichloroanisole) thus avoiding the synthesis of deuterated anisole analogues that are used as internal standard in other methods. The method was used for the analysis of grape juice samples inoculated with B. cinerea and P. expansum. Geosmin and methylisoborneol were the compounds that appeared to contribute most to earthy odours, although other fungal compounds which are claimed to cause earthy or mouldy off-odours were detected (e.g. 1-octen-3-ol and fenchol).

  13. Calibration of an in situ membrane inlet mass spectrometer for measurements of dissolved gases and volatile organics in seawater.

    Science.gov (United States)

    Bell, Ryan J; Short, R Timothy; van Amerom, Friso H W; Byrne, Robert H

    2007-12-01

    Use of membrane inlet mass spectrometers (MIMS) for quantitative measurements of dissolved gases and volatile organics over a wide range of ocean depths requires characterization of the influence of hydrostatic pressure on the permeability of MIMS inlet systems. To simulate measurement conditions in the field, a laboratory apparatus was constructed for control of sample flow rate, temperature, pressure, and the concentrations of a variety of dissolved gases and volatile organic compounds. MIMS data generated with this apparatus demonstrated thatthe permeability of polydimethylsiloxane (PDMS) membranes is strongly dependent on hydrostatic pressure. For the range of pressures encountered between the surface and 2000 m ocean depths, the pressure dependent behavior of PDMS membranes could not be satisfactorily described using previously published theoretical models of membrane behavior. The observed influence of hydrostatic pressure on signal intensity could, nonetheless, be quantitatively modeled using a relatively simple semiempirical relationship between permeability and hydrostatic pressure. The semiempirical MIMS calibration developed in this study was applied to in situ underwater mass spectrometer (UMS) data to generate high-resolution, vertical profiles of dissolved gases in the Gulf of Mexico. These measurements constitute the first quantitative observations of dissolved gas profiles in the oceans obtained by in situ membrane inlet mass spectrometry. Alternative techniques used to produce dissolved gas profiles were in good accord with UMS measurements.

  14. Characterization of volatile organic compounds (VOCs in Asian and North American pollution plumes during INTEX-B: identification of specific Chinese air mass tracers

    Directory of Open Access Journals (Sweden)

    B. Barletta

    2009-03-01

    Full Text Available We present results from the Intercontinental Chemical Transport Experiment – Phase B (INTEX-B aircraft mission conducted in spring 2006. By analyzing the mixing ratios of volatile organic compounds (VOCs measured during the second part of the field campaign, together with kinematic back trajectories, we were able to identify five plumes originating from China, four plumes from other Asian regions, and three plumes from the United States. To identify specific tracers for the different air masses, we focused on characterizing the VOC composition of these different pollution plumes. The Chinese and other Asian air masses were significantly enhanced in carbonyl sulfide (OCS and methyl chloride (CH3Cl, while all CFC replacement compounds were elevated in US plumes, particularly HCFC-134a.

    Although elevated mixing ratios of Halon-1211 were measured in some of the Chinese plumes, several measurements at background levels were also observed. After analyzing the VOC distribution in the Chinese pollution plumes and the correlations among selected compounds, we suggest the use of a suite of species, rather than the use of a single gas, to be used as specific tracers of Chinese air masses (namely OCS, CH3Cl, 1,2-dichloroethane, and Halon-1211. In an era of constantly changing halocarbon usage patterns, this suite of gases best reflects new emission characteristics from China.

  15. Characterization of volatile organic compounds (VOCs in Asian and north American pollution plumes during INTEX-B: identification of specific Chinese air mass tracers

    Directory of Open Access Journals (Sweden)

    A. J. Weinheimer

    2009-07-01

    Full Text Available We present results from the Intercontinental Chemical Transport Experiment – Phase B (INTEX-B aircraft mission conducted in spring 2006. By analyzing the mixing ratios of volatile organic compounds (VOCs measured during the second part of the field campaign, together with kinematic back trajectories, we were able to identify five plumes originating from China, four plumes from other Asian regions, and three plumes from the United States. To identify specific tracers for the different air masses we characterized their VOC composition and we compared their background levels with those obtained during the 2004 INTEX-A mission. The Chinese and other Asian air masses were significantly enhanced in carbonyl sulfide (OCS and methyl chloride (CH3Cl, while all CFC replacement compounds were elevated in US plumes, particularly HFC-134a.

    Although elevated mixing ratios of Halon-1211 were measured in some Chinese plume samples, several measurements at background levels were also observed. After analyzing the VOC distribution and correlations within the Chinese pollution plumes and applying principal component analysis (PCA, we suggest the use of a suite of species, rather than a single gas, as specific tracers of Chinese air masses (namely OCS, CH3Cl, 1,2-dichloroethane, ethyl chloride, and Halon-1211. In an era of constantly changing halocarbon usage patterns, this suite of gases best reflects new emission characteristics from China.

  16. The composition of volatile components in olivines from Yakutian kimberlites of various ages: Evidence from gas chromatography-mass spectrometry

    Science.gov (United States)

    Tomilenko, A. A.; Bul'bak, T. A.; Khomenko, M. O.; Kuzmin, D. V.; Sobolev, N. V.

    2016-06-01

    The composition of volatiles from fluid and melt inclusions in olivine phenocrysts from Yakutian kimberlite pipes of various ages (Olivinovaya, Malokuonapskaya, and Udachnaya-East) were studied for the first time by gas chromatography-mass spectrometry. It was shown that hydrocarbons and their derivatives, as well as nitrogen-, halogen-, and sulfur-bearing compounds, played a significant role in the mineral formation. The proportion of hydrocarbons and their derivatives in the composition of mantle fluids could reach 99%, including up to 4.9% of chlorineand fluorine-bearing compounds.

  17. Proton transfer reaction-mass spectrometry: online and rapid determination of volatile organic compounds of microbial origin.

    Science.gov (United States)

    Romano, Andrea; Capozzi, Vittorio; Spano, Giuseppe; Biasioli, Franco

    2015-05-01

    Analytical tools for the identification and quantification of volatile organic compounds (VOCs) produced by microbial cultures have countless applications in an industrial and research context which are still not fully exploited. The various techniques for VOC analysis generally arise from the application of different scientific and technological philosophies, favoring either sample throughput or chemical information. Proton transfer reaction-mass spectrometry (PTR-MS) represents a valid compromise between the two aforementioned approaches, providing rapid and direct measurements along with highly informative analytical output. The present paper reviews the main applications of PTR-MS in the microbiological field, comprising food, environmental, and medical applications.

  18. Updated Delft Mass Transport model DMT-2: computation and validation

    Science.gov (United States)

    Hashemi Farahani, Hassan; Ditmar, Pavel; Inacio, Pedro; Klees, Roland; Guo, Jing; Guo, Xiang; Liu, Xianglin; Zhao, Qile; Didova, Olga; Ran, Jiangjun; Sun, Yu; Tangdamrongsub, Natthachet; Gunter, Brian; Riva, Ricardo; Steele-Dunne, Susan

    2014-05-01

    A number of research centers compute models of mass transport in the Earth's system using primarily K-Band Ranging (KBR) data from the Gravity Recovery And Climate Experiment (GRACE) satellite mission. These models typically consist of a time series of monthly solutions, each of which is defined in terms of a set of spherical harmonic coefficients up to degree 60-120. One of such models, the Delft Mass Transport, release 2 (DMT-2), is computed at the Delft University of Technology (The Netherlands) in collaboration with Wuhan University. An updated variant of this model has been produced recently. A unique feature of the computational scheme designed to compute DMT-2 is the preparation of an accurate stochastic description of data noise in the frequency domain using an Auto-Regressive Moving-Average (ARMA) model, which is derived for each particular month. The benefits of such an approach are a proper frequency-dependent data weighting in the data inversion and an accurate variance-covariance matrix of noise in the estimated spherical harmonic coefficients. Furthermore, the data prior to the inversion are subject to an advanced high-pass filtering, which makes use of a spatially-dependent weighting scheme, so that noise is primarily estimated on the basis of data collected over areas with minor mass transport signals (e.g., oceans). On the one hand, this procedure efficiently suppresses noise, which are caused by inaccuracies in satellite orbits and, on the other hand, preserves mass transport signals in the data. Finally, the unconstrained monthly solutions are filtered using a Wiener filter, which is based on estimates of the signal and noise variance-covariance matrices. In combination with a proper data weighting, this noticeably improves the spatial resolution of the monthly gravity models and the associated mass transport models.. For instance, the computed solutions allow long-term negative trends to be clearly seen in sufficiently small regions notorious

  19. Simultaneous determination of volatile and non-volatile nitrosamines in processed meat products by liquid chromatography tandem mass spectrometry using atmospheric pressure chemical ionisation and electrospray ionisation

    DEFF Research Database (Denmark)

    Herrmann, Susan Strange; Duedahl-Olesen, Lene; Granby, Kit

    2014-01-01

    A sensitive, selective and generic method has been developed for the simultaneous determination of the contents (μgkg−1 range) of both volatile nitrosamines (VNA) and non-volatile nitrosamines (NVNA) in processed meat products. The extraction procedure only requires basic laboratory equipment and...

  20. Determination of refractive and volatile elements in sediment using laser ablation inductively coupled plasma mass spectrometry.

    Science.gov (United States)

    Duodu, Godfred Odame; Goonetilleke, Ashantha; Allen, Charlotte; Ayoko, Godwin A

    2015-10-22

    Wet-milling protocol was employed to produce pressed powder tablets with excellent cohesion and homogeneity suitable for laser ablation (LA) analysis of volatile and refractive elements in sediment. The influence of sample preparation on analytical performance was also investigated, including sample homogeneity, accuracy and limit of detection. Milling in volatile solvent for 40 min ensured sample is well mixed and could reasonably recover both volatile (Hg) and refractive (Zr) elements. With the exception of Cr (-52%) and Nb (+26%) major, minor and trace elements in STSD-1 and MESS-3 could be analysed within ±20% of the certified values. Comparison of the method with total digestion method using HF was tested by analysing 10 different sediment samples. The laser method recovers significantly higher amounts of analytes such as Ag, Cd, Sn and Sn than the total digestion method making it a more robust method for elements across the periodic table. LA-ICP-MS also eliminates the interferences from chemical reagents as well as the health and safety risks associated with digestion processes. Therefore, it can be considered as an enhanced method for the analysis of heterogeneous matrices such as river sediments.

  1. The effect of flow and mass transport in thrombogenesis.

    Science.gov (United States)

    Basmadjian, D

    1990-01-01

    The paper presents a mathematical analysis of the contributions of flow and mass transport to a single reactive event at a blood vessel wall. The intent is to prepare the ground for a comprehensive study of the intertwining of these contributions with the reaction network of the coagulation cascade. We show that in all vessels with local mural activity, or in "large" vessels (d greater than 0.1 mm) with global reactivity, events at the tubular wall can be rigorously described by algebraic equations under steady conditions, or by ordinary differential forms (ODEs) during transient conditions. This opens up important ways for analyzing the combined roles of flow, transport, and coagulation reactions in thrombosis, a task hitherto considered to be completely intractable. We report extensively on the dependence of transport coefficient kL and mural coagulant concentration Cw on flow, vessel geometry, and reaction kinetics. It is shown that for protein transport, kL varies only weakly with shear rate gamma in large vessels, and not at all in the smaller tubes (d less than 10(-2) mm). For a typical protein, kL approximately 10(-3) cm s-1 within a factor of 3 in most geometries, irrespective of the mural reaction kinetics. Significant reductions in kL (1/10-1/1,000) leading to high-coagulant accumulation are seen mainly in stagnant zones vicinal to abrupt expansions and in small elliptical tubules. This is in accord with known physical observations. More unexpected are the dramatic increases in accumulation which can come about through the intervention of an autocatalytic reaction step, with Cw rising sharply toward infinity as the ratio of reaction to transport coefficient approaches unity. Such self-catalyzed reactions have the ability to act as powerful amplifiers of an otherwise modest influence of flow and transport on coagulant concentration. The paper considers as well the effect on mass transport of transient conditions occasioned by coagulation initiation or

  2. Plasma Viscosity with Mass Transport in Spherical ICF Implosion Simulations

    CERN Document Server

    Vold, Erik L; Ortega, Mario I; Moll, Ryan; Fenn, Daniel; Molvig, Kim

    2015-01-01

    The effects of viscosity and small-scale atomic-level mixing on plasmas in inertial confinement fusion (ICF) currently represent challenges in ICF research. Many current ICF hydrodynamic codes ignore the effects of viscosity though recent research indicates viscosity and mixing by classical transport processes may have a substantial impact on implosion dynamics. We have implemented a Lagrange hydrodynamic code in one-dimensional spherical geometry with plasma viscosity and mass transport and including a three temperature model for ions, electrons, and radiation treated in a gray radiation diffusion approximation. The code is used to study ICF implosion differences with and without plasma viscosity and to determine the impacts of viscosity on temperature histories and neutron yield. It was found that plasma viscosity has substantial impacts on ICF shock dynamics characterized by shock burn timing, maximum burn temperatures, convergence ratio, and time history of neutron production rates. Plasma viscosity reduc...

  3. Improvement of a headspace solid phase microextraction-gas chromatography/mass spectrometry method for the analysis of wheat bread volatile compounds.

    Science.gov (United States)

    Raffo, Antonio; Carcea, Marina; Castagna, Claudia; Magrì, Andrea

    2015-08-07

    An improved method based on headspace solid phase microextraction combined with gas chromatography-mass spectrometry (HS-SPME/GC-MS) was proposed for the semi-quantitative determination of wheat bread volatile compounds isolated from both whole slice and crust samples. A DVB/CAR/PDMS fibre was used to extract volatiles from the headspace of a bread powdered sample dispersed in a sodium chloride (20%) aqueous solution and kept for 60min at 50°C under controlled stirring. Thirty-nine out of all the extracted volatiles were fully identified, whereas for 95 other volatiles a tentative identification was proposed, to give a complete as possible profile of wheat bread volatile compounds. The use of an array of ten structurally and physicochemically similar internal standards allowed to markedly improve method precision with respect to previous HS-SPME/GC-MS methods for bread volatiles. Good linearity of the method was verified for a selection of volatiles from several chemical groups by calibration with matrix-matched extraction solutions. This simple, rapid, precise and sensitive method could represent a valuable tool to obtain semi-quantitative information when investigating the influence of technological factors on volatiles formation in wheat bread and other bakery products.

  4. Selected Topics on Mass Transport in Gas-solid Interactions

    DEFF Research Database (Denmark)

    Somers, Marcel A.J.

    2004-01-01

    The present article is a short review containing examples of the role of mass transport in the solid state during gas-solid interactions. Examples are taken from the authors' research on the interaction of carbon and/or nitrogen with iron-based metals. Topics dealt with are diffusion......-controlled dissolution of carbon in an austenite matrix, nucleation of nitrides at an iron surface, the competition between surface reaction and solid state diffusion during iron-nitride layer growth and the evolution of the morphology of a carbonitride layer during nitrocarburizing. The work presented focuses...

  5. Determination of refractive and volatile elements in sediment using laser ablation inductively coupled plasma mass spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Duodu, Godfred Odame [School of Chemistry, Physics and Mechanical Engineering, Science and Engineering Faculty, Queensland University of Technology (QUT), 2 George St, 4001, QLD (Australia); Goonetilleke, Ashantha [School of Civil Engineering and Built Environment, Science and Engineering Faculty, Queensland University of Technology (QUT), 2 George St, 4001, QLD (Australia); Allen, Charlotte [Institute for Future Environments, Queensland University of Technology (QUT), 2 George St, 4001, QLD (Australia); Ayoko, Godwin A., E-mail: g.ayoko@qut.edu.au [School of Chemistry, Physics and Mechanical Engineering, Science and Engineering Faculty, Queensland University of Technology (QUT), 2 George St, 4001, QLD (Australia)

    2015-10-22

    Wet-milling protocol was employed to produce pressed powder tablets with excellent cohesion and homogeneity suitable for laser ablation (LA) analysis of volatile and refractive elements in sediment. The influence of sample preparation on analytical performance was also investigated, including sample homogeneity, accuracy and limit of detection. Milling in volatile solvent for 40 min ensured sample is well mixed and could reasonably recover both volatile (Hg) and refractive (Zr) elements. With the exception of Cr (−52%) and Nb (+26%) major, minor and trace elements in STSD-1 and MESS-3 could be analysed within ±20% of the certified values. Comparison of the method with total digestion method using HF was tested by analysing 10 different sediment samples. The laser method recovers significantly higher amounts of analytes such as Ag, Cd, Sn and Sn than the total digestion method making it a more robust method for elements across the periodic table. LA-ICP-MS also eliminates the interferences from chemical reagents as well as the health and safety risks associated with digestion processes. Therefore, it can be considered as an enhanced method for the analysis of heterogeneous matrices such as river sediments. - Highlights: • Wet milling was used to produce pressed tablet sediment for LA-ICP-MS analysis. • Milling was effective for refractive elements with narrow range of particle size. • This is the first use of LA-ICP-MS for Hg analysis in sediment samples. • Acceptable accuracy and precision were obtained for most of the elements studied. • Detection limits down to parts per trillion were observed for some elements.

  6. Mass transport-related stratal disruption and sedimentary products

    Science.gov (United States)

    Ogata, Kei; Mutti, Emiliano; Tinterri, Roberto

    2010-05-01

    From an outcrop perspective, mass transport deposit are commonly represented by "chaotic" units, characterized by dismembered and internally deformed slide blocks of different sizes and shapes, embedded in a more or less abundant fine-grained matrix. The large amount of data derived from geophysical investigations of modern continental margins have permitted the characterization of the overall geometry of many of these deposits, which, however, remain still relatively poorly described from outcrop studies of collisional basins. Results of this work show that in mass-transport deposits an unsorted, strongly mixed, relatively fine-grained clastic matrix almost invariably occurs in irregularly interconnected patches and pseudo-veins, infilling space between large clasts and blocks. We interpreted the aspect of this matrix as typical of a liquefied mixture of water and sediment, characterized by an extremely high mobility due to overpressured conditions, as evidenced by both lateral and vertical injections. On a much larger scale this kind of matrix is probably represented by the seismically "transparent" facies separating slide blocks of many mass-transport deposits observed in seismic-reflection profiles. The inferred mechanism of matrix production suggests a progressive soft-sediment deformation, linked to different phases of submarine landslide evolution (i.e. triggering, translation, accumulation and post-depositional stages), leading to an almost complete stratal disruption within the chaotic units. From our data we suggest that most submarine landslides move because of the development of ductile shear zones marked by the presence of "overpressured" matrix, both internally and along the basal surface. The matrix acts as a lubricating medium, accommodating friction forces and deformation, thus permitting the differential movement of discrete internal portions and enhancing the submarine slide mobility. Based on our experience, we suggest that this kind of deposit

  7. VOC Composition of Air Masses Transported from Asia to the U.S. West Coast

    Science.gov (United States)

    de Gouw, J.; Warneke, C.; Kuster, B.; Parrish, D.; Holloway, J.; Huebler, G.; Fehsenfeld, F.

    2002-12-01

    Airborne measurements of volatile organic compounds (VOCs) were performed using a proton-transfer-reaction mass spectrometer (PTR-MS) operated onboard a NOAA WP-3 aircraft during the Intercontinental Transport and Chemical Transformation (ITCT) experiment in 2002. Enhancements of acetone (CH3COCH3), methanol (CH3OH), acetonitrile (CH3CN) and in some cases benzene were observed in air masses that were impacted by outflow from Asia. The enhancement ratios with respect to carbon monoxide are compared to emission factors for fossil fuel combustion and biomass burning, which gives some insight into the sources responsible for the pollution. The observed mixing ratios for acetone, methanol and in particular acetonitrile were generally reduced in the marine boundary layer, suggesting the presence of an ocean uptake sink. The ocean uptake of acetonitrile was found to be particularly efficient in a zone with upwelling water off of the U.S. west coast. Reduced mixing ratios of acetone and methanol were observed in a stratospheric intrusion. This observation gives some information about the lifetime of these VOCs in the stratosphere. Enhanced concentrations of aromatic hydrocarbons were observed in air masses that were impacted by urban sources in California. The ratio between the concentrations of benzene, toluene and higher aromatics indicated the degree of photochemical oxidation. PTR-MS only gives information about the mass of the ions produced by proton-transfer reactions between H3O+ and VOCs in the instrument. The identification of VOCs was confirmed by coupling a gas-chromatographic (GC) column to the instrument and post-flight GC-PTR-MS analyses of canister samples collected during the flights.

  8. 2-Nonenal-Ovulatory Specific Volatiles in Human Saliva throughout Menstrual Cycle by Gas Chromatography and Mass Spectrometry Analysis

    Directory of Open Access Journals (Sweden)

    S. Alagendran

    2010-01-01

    Full Text Available Problem statement: The present investigation carry out a pilot study of a novel method to identify the salivary volatiles in different phases of menstrual cycle for the assessment of ovulation detection using gas chromatography and mass spectrophotometer. Approach: The profiles from follicular phase (6-12 days; ovulatory phase (13-14 days and luteal phase (15-26 days of menstrual cycle samples were compared to establish any qualitative and quantitative differences that might have potential value in human olfactory communication. Dichloromethane was used as the solvent for extraction of the compounds. Results: Fifteen compounds were identified. They include organic compounds like, acid, aldehyde, amine and alcohol. The most important constituent was 2-nonenal, which usually comprised 75% or more of the total volatiles observed in ovulatory phase. The concentration of many constituents varied widely. This appeared to be periodically in three cycles for five of the constituents, with a period of a few weeks and with pronounced maxima at the peak of ovulatory period of which only two were common to all the chromatograms. The chemical profile of ovulatory phase saliva was distinguished by the presence of two specific compounds, viz. 2- Nonenal, Acetic acid and Acetaldehyde that were not found in the other reproductive phases of saliva sample in women. Apparently these compounds are 2-nonenal, dodecanol, acetic acid and acetaldehyde. One or more of these compounds may have pheromonal activity in human body odor. Conclusion: Differentiation of the volatile patterns among reproductive phases in women may help to find the diagnostic marker for ovulation detection.

  9. Finite-size effect and the components of multifractality in transport economics volatility based on multifractal detrending moving average method

    Science.gov (United States)

    Chen, Feier; Tian, Kang; Ding, Xiaoxu; Miao, Yuqi; Lu, Chunxia

    2016-11-01

    Analysis of freight rate volatility characteristics attracts more attention after year 2008 due to the effect of credit crunch and slowdown in marine transportation. The multifractal detrended fluctuation analysis technique is employed to analyze the time series of Baltic Dry Bulk Freight Rate Index and the market trend of two bulk ship sizes, namely Capesize and Panamax for the period: March 1st 1999-February 26th 2015. In this paper, the degree of the multifractality with different fluctuation sizes is calculated. Besides, multifractal detrending moving average (MF-DMA) counting technique has been developed to quantify the components of multifractal spectrum with the finite-size effect taken into consideration. Numerical results show that both Capesize and Panamax freight rate index time series are of multifractal nature. The origin of multifractality for the bulk freight rate market series is found mostly due to nonlinear correlation.

  10. Mu2e Transport Solenoid Cold-Mass Alignment Issues

    Energy Technology Data Exchange (ETDEWEB)

    Lopes, M. [Fermilab; Ambrosio, G. [Fermilab; Badgley, K. [Fermilab; Bradascio, F. [Fermilab; Brandt, J. [Fermilab; Evbota, D. [Fermilab; Hocker, A. [Fermilab; Lamm, M. [Fermilab; Lombardo, V. [Fermilab; Miller, J. [Boston U.; Nicol, T. [Fermilab; Kutschke, R. [Fermilab; Vellidis, C. [Fermilab; Wands, R. [Fermilab; Wenk, E. [Fermilab

    2016-10-01

    The Muon-to-electron conversion experiment (Mu2e) at Fermilab is designed to explore charged lepton flavor violation. It is composed of three large superconducting solenoids: the Production Solenoid (PS), the Transport Solenoid (TS) and the Detector Solenoid (DS). The TS is formed by two magnets: TS upstream (TSu) and downstream (TSd). Each has its own cryostat and power supply. Tolerance sensitivity studies of the position and angular alignment of each coil in this magnet system were performed in the past with the objective to demonstrate that the magnet design meets all the field requirements. The alignment of the cold-masses is critical to maximize the transmission of muons and to avoid possible backgrounds that would reduce the sensitivity of the experiment. Each TS magnet cold-mass can be individually aligned. In this work, we discuss implications of the alignment of the TS cold-masses in terms of the displacement of the magnetic center. Consideration of the practical mechanical limits are also presented.

  11. A new matrix assisted ionization method for the analysis of volatile and nonvolatile compounds by atmospheric probe mass spectrometry.

    Science.gov (United States)

    Chakrabarty, Shubhashis; Pagnotti, Vincent S; Inutan, Ellen D; Trimpin, Sarah; McEwen, Charles N

    2013-07-01

    Matrix assisted ionization of nonvolatile compounds is shown not to be limited to vacuum conditions and does not require a laser. Simply placing a solution of analyte dissolved with a suitable matrix such as 3-nitrobenzonitrile (3-NBN) or 2,5-dihydroxyacetophenone on a melting point tube and gently heating the dried sample near the ion entrance aperture of a mass spectrometer using a flow of gas produces abundant ions of peptides, small proteins, drugs, and polar lipids. Fundamental studies point to matrix-mediated ionization occurring prior to the entrance aperture of the mass spectrometer. The method is analytically useful, producing peptide mass fingerprints of bovine serum albumin tryptic digest consuming sub-picomoles of sample. Application of 100 fmol of angiotensin I in 3-NBN matrix produces the doubly and triply protonated molecular ions as the most abundant peaks in the mass spectrum. No carryover is observed for samples containing up to 100 pmol of this peptide. A commercial atmospheric samples analysis probe provides a simple method for sample introduction to an atmospheric pressure ion source for analysis of volatile and nonvolatile compounds without using the corona discharge but using sample preparation similar to matrix-assisted laser desorption/ionization.

  12. RESEARCH OF SOPHORA JAPONICA L. FLOWER BUDS VOLATILE COMPOUNDS WITH GAS-CHROMATOGRAPHY/MASS- SPECTROMETRY METHOD

    Directory of Open Access Journals (Sweden)

    Cholak I.S.

    2013-10-01

    Full Text Available This work represents the results of the research ofessential oil contained in Sophora japonica L. flowerbuds volatile compounds collected during the nextstages of their development: green flower buds, formedflower buds and the beginning of flower buds opening.Essential oil assay content in Sophora japonica L.flower buds was determined with hydrodistillationmethod. Content of essential oil in the raw material isless than 0,1%. Qualitative composition and assaycontent of Sophora japonica L. flower buds essential oilconstituents were determined with chromato-massspectrometry method. In consequence of the research 80constituents were identified in Sophora japonica L.flower buds out of which 61 substances are during thegreen flower buds and beginning of flower budsopening stages, 66 substances are during formed flowerbuds stage. Substances are represented by aliphatic andcyclic terpenoids, their alcohols and ketones. Mostvolatile substances were extracted on the stage offormed buds.

  13. Radial Transport in the Solar Nebula: Implications for Moderately Volatile Element Depletions in Chondritic Meteorites

    CERN Document Server

    Ciesla, F J

    2007-01-01

    In this paper, the possibility that the moderately volatile element depletions observed in chondritic meteorites are the results of planetesimals accreting in a solar nebula that cooled from an initially hot state (temperatures > 1350 K out to ~2-4 AU) is explored. A model is developed to track the chemical inventory of planetesimals that accrete in a viscously evolving protoplanetary disk, accounting for the redistribution of solids and vapor by advection, diffusion, and gas drag. It is found that depletion trends similar to those observed in the chondritic meteorites can be reproduced for a small range of model parameters. However, the necessary range of parameters is inconsistent with observations of disks around young stars and other constraints on meteorite parent body formation. Thus, counter to previous work, it is concluded that the global scale evolution of the solar nebula is not the cause for the observed depletion trends.

  14. Volatile Transport inside Super-Earths by Entrapment in the Water Ice Matrix

    CERN Document Server

    Levi, Amit; Podolak, Morris

    2013-01-01

    Whether volatiles can be entrapped in a background matrix composing planetary envelopes and be dragged via convection to the surface is a key question in understanding atmospheric fluxes, cycles and composition. In this paper we consider super-Earths with an extensive water mantle (i.e. water planets), and the possibility of entrapment of methane in their extensive water ice envelopes. We adopt the theory developed by van der Waals & Platteeuw (1959) for modelling solid solutions, often used for modelling clathrate hydrates, and modify it in order to estimate the thermodynamic stability field of a new phase, called methane filled ice Ih. We find that in comparison to water ice VII the filled ice Ih structure may be stable not only at the high pressures but also at the high temperatures expected at the core-water mantle transition boundary of water planets.

  15. Analysis of volatile organic compounds in pleural effusions by headspace solid-phase microextraction coupled with cryotrap gas chromatography and mass spectrometry.

    Science.gov (United States)

    Huang, Zhongping; Zhang, Jie; Zhang, Peipei; Wang, Hong; Pan, Zaifa; Wang, Lili

    2016-07-01

    Headspace solid-phase microextraction coupled with cryotrap gas chromatography and mass spectrometry was applied to the analysis of volatile organic compounds in pleural effusions. The highly volatile organic compounds were separated successfully with high sensitivity by the employment of a cryotrap device, with the construction of a cold column head by freezing a segment of metal capillary with liquid nitrogen. A total of 76 volatile organic compounds were identified in 50 pleural effusion samples (20 malignant effusions and 30 benign effusions). Among them, 34 more volatile organic compounds were detected with the retention time less than 8 min, by comparing with the normal headspace solid-phase microextraction coupled with gas chromatography and mass spectrometry method. Furthermore, 24 volatile organic compounds with high occurrence frequency in pleural effusion samples, 18 of which with the retention time less than 8 min, were selected for the comparative analysis. The results of average peak area comparison and box-plot analysis showed that except for cyclohexanone, 2-ethyl-1-hexanol, and tetramethylbenzene, which have been reported as potential cancer biomarkers, cyclohexanol, dichloromethane, ethyl acetate, n-heptane, ethylbenzene, and xylene also had differential expression between malignant and benign effusions. Therefore, the proposed approach was valuable for the comprehensive characterization of volatile organic compounds in pleural effusions.

  16. Fast analysis of volatile organic compounds and disinfection by-products in drinking water using solid-phase microextraction-gas chromatography/time-of-flight mass spectrometry.

    Science.gov (United States)

    Niri, Vadoud H; Bragg, Leslie; Pawliszyn, Janusz

    2008-08-08

    A fast method was developed for the extraction and analysis of volatile organic compounds, including disinfection by-products (DBPs), with headspace solid-phase microextraction (HS-SPME) and gas chromatography/mass spectrometry (GC/MS) techniques. A GC/time-of-flight (TOF)-MS instrument, which had fast acquisition rates and powerful deconvolution software, was used. Under optimum conditions total runtime was 45s. Volatile organic compounds (VOCs), including purgeable A and B compounds (listed in US Environmental Protection Agency method 624), were identified in standard water samples. Extraction times were 1min for more volatile compounds and 2min for less volatile compounds. The method was applied to the analysis of water samples treated under different disinfection processes and the results were compared with those from a liquid-liquid extraction method.

  17. Applications of Solid-Phase Microextraction and Gas Chromatography/Mass Spectrometry (SPME-GC/MS in the Study of Grape and Wine Volatile Compounds

    Directory of Open Access Journals (Sweden)

    Annarita Panighel

    2014-12-01

    Full Text Available Volatile compounds are responsible for the wine “bouquet”, which is perceived by sniffing the headspace of a glass, and of the aroma component (palate-aroma of the overall flavor, which is perceived on drinking. Grape aroma compounds are transferred to the wine and undergo minimal alteration during fermentation (e.g., monoterpenes and methoxypyrazines; others are precursors of aroma compounds which form in winemaking and during wine aging (e.g., glycosidically-bound volatile compounds and C13-norisoprenoids. Headspace solid phase microextraction (HS-SPME is a fast and simple technique which was developed for analysis of volatile compounds. This review describes some SPME methods coupled with gas chromatography/mass spectrometry (GC/MS used to study the grape and wine volatiles.

  18. Development and validation of automatic HS-SPME with a gas chromatography-ion trap/mass spectrometry method for analysis of volatiles in wines.

    Science.gov (United States)

    Paula Barros, Elisabete; Moreira, Nathalie; Elias Pereira, Giuliano; Leite, Selma Gomes Ferreira; Moraes Rezende, Claudia; Guedes de Pinho, Paula

    2012-11-15

    An automated headspace solid-phase microextraction (HS-SPME) combined with gas chromatography-ion trap/mass spectrometry (GC-IT/MS) was developed in order to quantify a large number of volatile compounds in wines such as alcohols, ester, norisoprenoids and terpenes. The procedures were optimized for SPME fiber selection, pre-incubation temperature and time, extraction temperature and time, and salt addition. A central composite experimental design was used in the optimization of the extraction conditions. The volatile compounds showed optimal extraction using a DVB/CAR/PDMS fiber, incubation of 5 ml of wine with 2g NaCl at 45 °C during 5 min, and subsequent extraction of 30 min at the same temperature. The method allowed the identification of 64 volatile compounds. Afterwards, the method was validated successfully for the most significant compounds and was applied to study the volatile composition of different white wines.

  19. Continuity and Change: Dealing with Political Volatility to Advance Climate Change Mitigation Strategies—Examples from the Transport Sector

    Directory of Open Access Journals (Sweden)

    Oliver Lah

    2017-06-01

    Full Text Available As the recent withdrawal of the United States from the Paris Agreement has shown, political volatility directly affects climate change mitigation policies, in particular in sectors, such as transport associated with long-term investments by individuals (vehicles and by local and national governments (urban form and transport infrastructure and services. There is a large potential for cost-effective solutions to reduce greenhouse gas emissions and to improve the sustainability of the transport sector that is yet unexploited. Considering the cost-effectiveness and the potential for co-benefits, it is hard to understand why efficiency gains and CO2 emission reductions in the transport sector are still lagging behind this potential. Particularly interesting is the fact that there is substantial difference among countries with relatively similar economic performances in the development of their transport CO2 emissions over the past thirty years despite the fact that these countries had relatively similar access to efficient technologies and vehicles. This study aims to explore some well-established political science theories on the particular example of climate change mitigation in the transport sector in order to identify some of the factors that could help explain the variations in success of policies and strategies in this sector. The analysis suggests that institutional arrangements that contribute to consensus building in the political process provide a high level of political and policy stability which is vital to long-term changes in energy end-use sectors that rely on long-term investments. However, there is no direct correlation between institutional structures, e.g., corporatism and success in reducing greenhouse gas emissions in the transport sector. Environmental objectives need to be built into the consensus-based policy structure before actual policy progress can be observed. This usually takes longer in consensus democracies than in

  20. Solid-phase microcolumn extraction and gas chromatography-mass spectrometry identification of volatile organic compounds emitted by paper.

    Science.gov (United States)

    Hrivnák, Ján; Tölgyessy, Peter; Figedyová, Sona; Katuscák, Svetozár

    2009-11-15

    A rapid non-destructive sampling technique for the analysis of volatile organic compounds (VOCs) emitted by paper sheets is described. A capillary, which is connected to a microcolumn packed with Tenax TA, is inserted between two sheets at the centre of a paper stack encapsulated inside a PET/Al/PE composite foil. The other end of the microcolumn is connected to a gas-tight syringe and an appropriate volume of gaseous phase is aspirated. The microcolumn is then thermally desorbed in a modified GC inlet (modification is presented) and analysed by gas chromatography-mass spectrometry (GC-MS). In the chromatogram from the analysis of artificially aged paper sample 21 compounds were identified. Advantages of the method including the short sampling time (1 min), simplicity and economic aspect are discussed.

  1. Rapid detection of meat spoilage by measuring volatile organic compounds by using proton transfer reaction mass spectrometry.

    Science.gov (United States)

    Mayr, D; Margesin, R; Klingsbichel, E; Hartungen, E; Jenewein, D; Schinner, F; Märk, T D

    2003-08-01

    The evolution of the microbial spoilage population for air- and vacuum-packaged meat (beef and pork) stored at 4 degrees C was investigated over 11 days. We monitored the viable counts (mesophilic total aerobic bacteria, Pseudomonas spp., Enterobacteriaceae, lactic acid bacteria, and Enterococcus spp.) by the microbiological standard technique and by measuring the emission of volatile organic compounds (VOCs) with the recently developed proton transfer reaction mass spectrometry system. Storage time, packaging type, and meat type had statistically significant (P meat. We found statistically significant strong correlations (up to 99%) between some of the VOCs and the bacterial contamination. The concentrations of these VOCs increased linearly with the bacterial numbers. This study is a first step toward replacing the time-consuming plate counting by fast headspace air measurements, where the bacterial spoilage can be determined within minutes instead of days.

  2. Mass transport measurements and modeling for chemical vapor infiltration

    Energy Technology Data Exchange (ETDEWEB)

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

    1997-12-01

    This project involves experimental and modeling investigation of densification behavior and mass transport in fiber preforms and partially densified composites, and application of these results to chemical vapor infiltration (CVI) process modeling. This supports work on-going at ORNL in process development for fabrication of ceramic matrix composite (CMC) tubes. Tube-shaped composite preforms are fabricated at ORNL with Nextel{trademark} 312 fiber (3M Corporation, St. Paul, MN) by placing and compressing several layers of braided sleeve on a tubular mandrel. In terms of fiber architecture these preforms are significantly different than those made previously with Nicalon{trademark} fiber (Nippon Carbon Corp., Tokyo, Japan) square weave cloth. The authors have made microstructure and permeability measurements on several of these preforms and a few partially densified composites so as to better understand their densification behavior during CVI.

  3. Plant Phosphoproteomics: Analysis of Plasma Membrane Transporters by Mass Spectrometry

    DEFF Research Database (Denmark)

    Ye, Juanying; Rudashevskaya, Elena; Young, Clifford

    important physiological functions, such as stomata aperture, cell elongation, or cellular pH regulation. It is known that the activity of plant plasma membrane H+-ATPase is regulated by phosphorylation. Therefore, we first investigated the phosphorylation profile of plant H+-ATPase by enriching...... the phosphopeptides with optimized TiO2 and IMAC enrichment methods prior to MS analysis. We further investigated the global phosphorylation profile of the whole plant plasma membrane proteins using the combination of our recently established phosphopeptide enrichment method, Calcium phosphate precipitation......  Phosphorylation is a key regulatory factor in all aspects of eukaryotic biology including the regulation of plant membrane-bound transport proteins. To date, mass spectrometry (MS) has been introduced as powerful technology for study of post translational modifications (PTMs), including protein...

  4. Incorporating the value of changes in price volatility into cost-benefit analysis-an application to oil prices in the transport sector

    DEFF Research Database (Denmark)

    Jensen, Thomas Christian; Møller, Flemming

    2010-01-01

    in the policy assessment taking into account the most significant correlations between prices of alternative fuels and between fuel prices and consumption in general. In the present paper, a method of valuing changes in price volatility based on portfolio theory is applied to some very simple transport...

  5. Cerebrospinal and Interstitial Fluid Transport via the Glymphatic Pathway Modeled by Optimal Mass Transport

    Science.gov (United States)

    Ratner, Vadim; Gao, Yi; Lee, Hedok; Elkin, Rena; Nedergaard, Maiken; Benveniste, Helene; Tannenbaum, Allen

    2017-01-01

    The glymphatic pathway is a system which facilitates continuous cerebrospinal fluid (CSF) and interstitial fluid (ISF) exchange and plays a key role in removing waste products from the rodent brain. Dysfunction of the glymphatic pathway may be implicated in the pathophysiology of Alzheimer's disease. Intriguingly, the glymphatic system is most active during deep wave sleep general anesthesia. By using paramagnetic tracers administered into CSF of rodents, we previously showed the utility of MRI in characterizing a macroscopic whole brain view of glymphatic transport but we have yet to define and visualize the specific flow patterns. Here we have applied an alternative mathematical analysis approach to a dynamic time series of MRI images acquired every 4 min over ∼3 hrs in anesthetized rats, following administration of a small molecular weight paramagnetic tracer into the CSF reservoir of the cisterna magna. We use Optimal Mass Transport (OMT) to model the glymphatic flow vector field, and then analyze the flow to find the network of CSF-ISF flow channels. We use 3D visualization computational tools to visualize the OMT defined network of CSF-ISF flow channels in relation to anatomical and vascular key landmarks from the live rodent brain. The resulting OMT model of the glymphatic transport network agrees largely with the current understanding of the glymphatic transport patterns defined by dynamic contrast-enhanced MRI revealing key CSF transport pathways along the ventral surface of the brain with a trajectory towards the pineal gland, cerebellum, hypothalamus and olfactory bulb. In addition, the OMT analysis also revealed some interesting previously unnoticed behaviors regarding CSF transport involving parenchymal streamlines moving from ventral reservoirs towards the surface of the brain, olfactory bulb and large central veins. PMID:28323163

  6. In situ quantification and tracking of volatile organic compounds with a portable mass spectrometer in tropical waste and urban sites.

    Science.gov (United States)

    Plocoste, Thomas; Jacoby-Koaly, Sandra; Petit, Rose-Helen; Molinié, Jack; Roussas, André

    2017-09-01

    This study outlines an experimental method for landfill volatile organic compounds (VOCs) characterization by means of a portable time-of-flight mass spectrometer in an insular tropical environment. The concentrations of six VOCs, three aromatic and three chlorinated compounds, frequently identified in landfill gas plume were determined in the main municipal solid waste of Guadeloupe archipelago and its surrounding areas (in the Leeward Islands). Measurements were carried out for various stages of waste degradation. Without mechanical forcing on the waste piles, the results for aromatic and chlorinated compounds showed much higher concentrations at covered waste. Benzene, toluene and ethylbenzene were easily detected by the portable mass spectrometer in the air matrix with concentrations significantly greater than the equipment limit of detection (LOD) estimates. Trichloroethylene is not often measured by the mass spectrometer and very few calculated concentrations reach the instrument LOD. For sites near the landfill, using the sum trichloroethylene + tetrachlororethylene as tracer, it was observed that the most affected locations are under the wind of the landfill plume. Moreover, under certain atmospheric conditions, most of the surrounding area, downwind and upwind, can undergo an increase of the tracer concentration levels, as shown in the paper during a dust outbreak.

  7. Characterizing the chemical evolution of air masses via multi-platform measurements of volatile organic compounds (VOCs) during CalNEX: Composition, OH reactivity, and potential SOA formation

    Science.gov (United States)

    Gilman, J. B.; Kuster, W. C.; Bon, D.; Warneke, C.; Lerner, B. M.; Williams, E. J.; Holloway, J. S.; Pollack, I. B.; Ryerson, T. B.; Atlas, E. L.; Blake, D. R.; Herndon, S. C.; Zahniser, M. S.; Vlasenko, A. L.; Li, S.; Alvarez, S. L.; Rappenglueck, B.; Flynn, J. H.; Grossberg, N.; Lefer, B. L.; De Gouw, J. A.

    2011-12-01

    Volatile organic compounds (VOCs) are critical components in the photochemical production of ozone (O3) and secondary organic aerosol (SOA). During the CalNex 2010 field campaign, an extensive set of VOCs were measured at the Pasadena ground site, and aboard the NOAA WP-3D aircraft and the WHOI Research Vessel Atlantis. The measurements from each platform provide a unique perspective into the emissions, transport, and atmospheric processing of VOCs within the South Coast Air Basin (SoCAB). The observed enhancement ratios of the hydrocarbons measured on all three platforms are in good agreement and are generally well correlated with carbon monoxide (CO), indicating the prevalence of on-road VOC emission sources throughout the SoCAB. Offshore measurements aboard the ship and aircraft are used to characterize the air mass composition as a function of the land/sea-breeze effect. VOC ratios and other trace gases are used to identify air masses containing relatively fresh emissions that were often associated with offshore flow and re-circulated continental air associated with onshore flow conditions. With the prevailing southwesterly airflow pattern in the LAB throughout the daytime, the Pasadena ground site effectively functions as a receptor site and is used to characterize primary VOC emissions from downtown Los Angeles and to identify the corresponding secondary oxidation products. The chemical evolution of air masses as a function of the time of day is investigated in order to determine the relative impacts of primary emissions vs. secondary VOC products on OH reactivity and potential SOA formation. The reactivity of VOCs with the hydroxyl radical (OH) at the Pasadena site was dominated by the light hydrocarbons, isoprene, and oxygenated VOCs including aldehydes (secondary products) and alcohols (primary anthropogenic emissions). Toluene and benzaldehyde, both of which are associated with primary anthropogenic emissions, are the predominant VOC precursors to the

  8. Mass and charge transport in IPMC actuators with fractal interfaces

    Science.gov (United States)

    Chang, Longfei; Wu, Yucheng; Zhu, Zicai; Li, Heng

    2016-04-01

    Ionic Polymer-Metal Composite (IPMC) actuators have been attracting a growing interest in extensive applications, which consequently raises the demands on the accuracy of its theoretical modeling. For the last few years, rough landscape of the interface between the electrode and the ionic membrane of IPMC has been well-documented as one of the key elements to ensure a satisfied performance. However, in most of the available work, the interface morphology of IPMC was simplified with structural idealization, which lead to perplexity in the physical interpretation on its interface mechanism. In this paper, the quasi-random rough interface of IPMC was described with fractal dimension and scaling parameters. And the electro-chemical field was modeled by Poisson equation and a properly simplified Nernst-Planck equation set. Then, by simulation with Finite Element Method, a comprehensive analysis on he inner mass and charge transportation in IPMC actuators with different fractal interfaces was provided, which may be further adopted to instruct the performance-oriented interface design for ionic electro-active actuators. The results also verified that rough interface can impact the electrical and mechanical response of IPMC, not only from the respect of the real surface increase, but also from mass distribution difference caused by the complexity of the micro profile.

  9. Turbulence and mass-transports in stratocumulus clouds

    Science.gov (United States)

    Ghate, Virendra P.

    Boundary layer (BL) stratocumulus clouds are an important factor in the earth's radiation budget due to their high albedo and low cloud top heights. Continental BL stratocumulus clouds are closely coupled to the diurnal cycle and the turbulence in the BL affecting the surface energy and moisture budgets. In this study the turbulence and mass-transport structures in continental BL stratocumulus clouds are studied using data from the Atmospheric Radiation Measurements (ARM)'s Southern Great Plains (SGP) observing facility located at Lamont, Oklahoma. High temporal (4 sec) and spatial (45 m) resolution observations from a vertically pointing 35 GHz cloud Doppler radar were used to obtain the in-cloud vertical velocity probability density function (pdf) in the absence of precipitation size hydrometeors. A total of 70 hours of radar data were analyzed to report half-hourly statistics of vertical velocity variance, skewness, updraft fraction, downdraft and velocity binned mass-flux at five cloud depth normalized levels. The variance showed a general decrease with increase in height in the cloud layer while the skewness is weakly positive in the cloud layer and negative near cloud top. The updraft fraction decreases with height with the decrease mainly occurring in the upper half of the cloud layer. The downdraft fraction increases with decrease in height with the increase being almost linear. The velocity of eddies responsible for maximum mass-transport decreases from of 0.4 ms-1 near cloud base to 0.2 ms-1 near cloud top. The half-hour periods were then classified based on the surface buoyancy flux as stable or unstable and it was found that the variance near cloud top is higher during the stable periods as compared to the unstable periods. Classification was also made based on the cloud depth to BL depth ratio (CBR) being greater or less than 0.3. The variance profile was similar for the classification while the skewness was almost zero during periods with CBR less 0

  10. Gas Chromatographic-Mass Spectrometric Analysis of Volatiles Obtained by Four Different Techniques from Salvia rosifolia Sm. and Evaluation for Biological Activity

    Science.gov (United States)

    Volatile constituents from the aerial parts of Salvia rosifolia Sm. (Lamiaceae), endemic to Turkey, were obtained by four different isolation techniques and then analyzed by gas chromatography (GC/FID) and gas chromatography – mass spectrometry (GC/MS) methods. Also in scope of the present work, the...

  11. Characterisation of volatile components of Pinotage wines using comprehensive two-dimensional gas chromatography coupled to time-of-flight mass spectrometry (GC x GC–TOFMS)

    NARCIS (Netherlands)

    Weldegergis, B.T.; Villiers, de A.; McNeish, C.; Seethapathy, S.; Mostafa, A.; Górecki, T.; Crouch, A.M.

    2011-01-01

    As part of the ongoing research into the chemical composition of the uniquely South African wine cultivar Pinotage, the volatile composition of nine young wines of this cultivar was investigated using comprehensive two-dimensional gas chromatography (GC × GC) in combination with time-of-flight mass

  12. Characterisation of volatile components of Pinotage wines using comprehensive two-dimensional gas chromatography coupled to time-of-flight mass spectrometry (GC x GC–TOFMS)

    NARCIS (Netherlands)

    Weldegergis, B.T.; Villiers, de A.; McNeish, C.; Seethapathy, S.; Mostafa, A.; Górecki, T.; Crouch, A.M.

    2011-01-01

    As part of the ongoing research into the chemical composition of the uniquely South African wine cultivar Pinotage, the volatile composition of nine young wines of this cultivar was investigated using comprehensive two-dimensional gas chromatography (GC × GC) in combination with time-of-flight mass

  13. Evaluation of volatile metabolites as markers in Lycopersicon esculentum L. cultivars discrimination by multivariate analysis of headspace solid phase microextraction and mass spectrometry data.

    Science.gov (United States)

    Figueira, José; Câmara, Hugo; Pereira, Jorge; Câmara, José S

    2014-02-15

    To gain insights on the effects of cultivar on the volatile metabolomic expression of different tomato (Lycopersicon esculentum L.) cultivars--Plum, Campari, Grape, Cherry and Regional, cultivated under similar edafoclimatic conditions, and to identify the most discriminate volatile marker metabolites related to the cultivar, the chromatographic profiles resulting from headspace solid phase microextraction (HS-SPME) and gas chromatography-mass spectrometry (GC-qMS) analysis, combined with multivariate analysis were investigated. The data set composed by the 77 volatile metabolites identified in the target tomato cultivars, 5 of which (2,2,6-trimethylcyclohexanone, 2-methyl-6-methyleneoctan-2-ol, 4-octadecyl-morpholine, (Z)-methyl-3-hexenoate and 3-octanone) are reported for the first time in tomato volatile metabolomic composition, was evaluated by chemometrics. Firstly, principal component analysis was carried out in order to visualise data trends and clusters, and then, linear discriminant analysis in order to detect the set of volatile metabolites able to differentiate groups according to tomato cultivars. The results obtained revealed a perfect discrimination between the different Lycopersicon esculentum L. cultivars considered. The assignment success rate was 100% in classification and 80% in prediction ability by using "leave-one-out" cross-validation procedure. The volatile profile was able to differentiate all five cultivars and revealed complex interactions between them including the participation in the same biosynthetic pathway. The volatile metabolomic platform for tomato samples obtained by HS-SPME/GC-qMS here described, and the interrelationship detected among the volatile metabolites can be used as a roadmap for biotechnological applications, namely to improve tomato aroma and their acceptance in the final consumer, and for traceability studies. Copyright © 2013 Elsevier Ltd. All rights reserved.

  14. Determination of heat purgeable and ambient purgeable volatile organic compounds in water by gas chromatography/mass spectrometry

    Science.gov (United States)

    Rose, Donna L.; Sandstrom, Mark W.; Murtagh, Lucinda K.

    2016-09-08

    Two new analytical methods have been developed by the U.S. Geological Survey (USGS) National Water Quality Laboratory (NWQL) that allow the determination of 37 heat purgeable volatile organic compounds (VOCs) (USGS Method O-4437-16 [NWQL Laboratory Schedule (LS) 4437]) and 49 ambient purgeable VOCs (USGS Method O-4436-16 [NWQL LS 4436]) in unfiltered water. This report documents the procedures and initial performance of both methods. The compounds chosen for inclusion in the methods were determined as having high priority by the USGS National Water-Quality Assessment (NAWQA) Program. Both methods use a purge-and-trap technique with gas chromatography/mass spectrometry. The compounds are extracted from the sample by bubbling helium through a 25-milliliter sample. For the polar and less volatile compounds, the sample is heated at 60 degrees Celsius, whereas the less polar and more volatile compounds are purged using a separate analytical procedure at ambient temperature. The compounds are trapped on a sorbent trap, desorbed into a gas chromatograph/mass spectrometer for separation, and then identified and quantified. Sample preservation is recommended for both methods by adding a 1:1 solution of hydrochloric acid (HCl [1:1]) to water samples to adjust the pH to 2. Analysis within 14 days from sampling is recommended.The heat purgeable method (USGS Method O-4437-16) operates with the mass spectrometer in the simultaneous full scan/selected ion monitoring mode. This method supersedes USGS Method O-4024-03 (NWQL LS 4024). Method detection limits (MDLs) for fumigant compounds 1,2-dibromoethane, 1,2-dichloropropane, 1,2,3-trichloropropane, chloropicrin, and 1,2-dibromo-3-chloropropane range from 0.002 to 0.010 microgram per liter (µg/L). The MDLs for all remaining heat purgeable VOCs range from 0.006 µg/L for tert-butyl methyl ether to 3 µg/L for alpha-terpineol. Calculated holding times indicate that 36 of the 37 heat purgeable VOCs are stable for a minimum of 14 days

  15. Mass transportation in diethylmethylammonium trifluoromethanesulfonate for fuel cell applications

    Energy Technology Data Exchange (ETDEWEB)

    Mitsushima, Shigenori, E-mail: mitsushi@ynu.ac.j [Chemical Energy Laboratory, Yokohama National University, Yokohama 240-8501 (Japan); Shinohara, Yoshitsugu; Matsuzawa, Koichi; Ota, Ken-ichiro [Chemical Energy Laboratory, Yokohama National University, Yokohama 240-8501 (Japan)

    2010-09-01

    To use the protonic mesothermal fuel cell without humidification, mass transportation in diethylmethylammonium trifluoromethanesulfonate ([dema][TfO]), trifluoromethanesulfuric acid (TfOH)-added [dema][TfO], and phosphoric acid (H{sub 3}PO{sub 4})-added [dema][TfO] was investigated by electrochemical measurements. The diffusion coefficient and the solubility of oxygen were ca. 10{sup -5} cm{sup 2} s{sup -1} and ca. 10{sup -3} M (=mol dm{sup -3}), respectively. Those of hydrogen were a factor of 10 and one-tenth compared to oxygen, respectively. The permeability, which is a product of the diffusion coefficient and solubility, of oxygen and hydrogen were almost the same for the perfluoroethylenesulfuric acid membrane and the sulfuric acid solution; therefore, these values are suitable for fuel cell applications. On the other hand, a diffusion limiting current was observed for the hydrogen evolution reaction. The current corresponded to ca. 10{sup -10} mol cm{sup -1} s{sup -1} of the permeability, and the diffusion limiting species was the hydrogen carrier species. The TfOH addition enhanced the diffusion limiting current of [dema][TfO], and the H{sub 3}PO{sub 4} addition eliminated the diffusion limit. The hydrogen bonds of H{sub 3}PO{sub 4} or water-added H{sub 3}PO{sub 4} might significantly enhance the transport of the hydrogen carrier species. Therefore, [dema][TfO] based materials are candidates for non-humidified mesothermal fuel cell electrolytes.

  16. Untargeted metabolomic analysis using liquid chromatography quadrupole time-of-flight mass spectrometry for non-volatile profiling of wines

    Energy Technology Data Exchange (ETDEWEB)

    Arbulu, M. [Department of Analytical Chemistry, Faculty of Pharmacy, University of the Basque Country, 01006 Vitoria-Gasteiz (Spain); Sampedro, M.C. [Central Service of Analysis, SGIker, University of the Basque Country, 01006 Vitoria-Gasteiz (Spain); Gómez-Caballero, A.; Goicolea, M.A. [Department of Analytical Chemistry, Faculty of Pharmacy, University of the Basque Country, 01006 Vitoria-Gasteiz (Spain); Barrio, R.J., E-mail: r.barrio@ehu.es [Department of Analytical Chemistry, Faculty of Pharmacy, University of the Basque Country, 01006 Vitoria-Gasteiz (Spain)

    2015-02-09

    Highlights: • An untargeted metabolomic method for the non-volatile profile of the Graciano wine was developed. • 411 different metabolites in Graciano Vitis vinifera red wine were identified. • 15 compounds could serve to differentiate Graciano and Tempranillo wines. • An enological database (WinMet) with 2080 compounds was constructed. - Abstract: The current study presents a method for comprehensive untargeted metabolomic fingerprinting of the non-volatile profile of the Graciano Vitis vinifera wine variety, using liquid chromatography/electrospray ionization time of flight mass spectrometry (LC–ESI-QTOF). Pre-treatment of samples, chromatographic columns, mobile phases, elution gradients and ionization sources, were evaluated for the extraction of the maximum number of metabolites in red wine. Putative compounds were extracted from the raw data using the extraction algorithm, molecular feature extractor (MFE). For the metabolite identification the WinMet database was designed based on electronic databases and literature research and includes only the putative metabolites reported to be present in oenological matrices. The results from WinMet were compared with those in the METLIN database to evaluate how much the databases overlap for performing identifications. The reproducibility of the analysis was assessed using manual processing following replicate injections of Vitis vinifera cv. Graciano wine spiked with external standards. In the present work, 411 different metabolites in Graciano Vitis vinifera red wine were identified, including primary wine metabolites such as sugars (4%), amino acids (23%), biogenic amines (4%), fatty acids (2%), and organic acids (32%) and secondary metabolites such as phenols (27%) and esters (8%). Significant differences between varieties Tempranillo and Graciano were related to the presence of fifteen specific compounds.

  17. Identification of volatile organic compounds (VOCs in plastic products using gas chromatography and mass spectrometry (GC/MS

    Directory of Open Access Journals (Sweden)

    Nerlis Pajaro-Castro

    2014-10-01

    Full Text Available Plastic materials are widely used in daily life. They contain a wide range of compounds with low molecular mass, including monomeric and oligomeric residues of polymerization, solvent-related chemicals residues, and various additives. Plastic products made of expanded polystyrene (EPS are currently employed as food containers. This study therefore sought to identify volatile organic compounds released by EPS from food packages and utensils used in Cartagena, Colombia. EPS-based plates, food and soup containers were subjected to various temperatures and released chemicals captured by solid phase microextraction, followed by on-column thermal desorption and gas chromatography/mass spectrometry analysis. The results revealed the presence of at least 30 different compounds in the EPS-based products examined; the most frequently found were benzaldehyde, styrene, ethylbenzene and tetradecane. The release of these molecules was temperature-dependent. It is therefore advisable to regulate the use of EPS products which may be subjected to heating in order to protect human health by decreasing the exposure to these chemicals.

  18. Utilization of micellar electrokinetic chromatography-tandem mass spectrometry employed volatile micellar phase in the analysis of cathinone designer drugs.

    Science.gov (United States)

    Švidrnoch, Martin; Lněníčková, Ludmila; Válka, Ivo; Ondra, Peter; Maier, Vítězslav

    2014-08-22

    A micellar electrokinetic chromatography method with tandem mass spectrometry has been developed for the selective separation, identification and determination of twelve new designer drugs from the group of synthetic cathinones. Ammonium salt of perfluorooctanoic acid at various concentrations as a volatile background electrolyte (BGE) to create micellar phase was studied for separation of selected synthetic cathinones with direct tandem mass spectrometry without significant loss of detection sensitivity. The optimized BGE contained 100 mM perfluorooctanoic acid with 200 mM ammonium hydroxide providing acceptable resolution of studied drugs in the MEKC step. In order to minimize interferences with matrix components and to preconcentrate target analytes, solid phase extraction was introduced as a clean-up step. The method was linear in the concentration range of 10-5000 ng mL(-1) and the limits of detection were in the range of 10-78 ng mL(-1). The method was demonstrated to be specific, sensitive, and reliable for the systematic toxicological analysis of these derivatives in urine samples.

  19. Design and construction of a simple Knudsen Effusion Mass Spectrometer (KEMS system for vapour pressure measurements of low volatility organics

    Directory of Open Access Journals (Sweden)

    A. M. Booth

    2009-07-01

    Full Text Available A design of and initial results from a Knudsen Effusion Mass Spectrometer (KEMS are presented. The design was adapted from high temperature alloy studies with a view to using it to measure vapour pressures for low volatility organics. The system uses a temperature controlled cell with an effusive orifice. This produces a molecular beam which is sampled by a quadropole mass spectrometer with electron impact ionization calibrated to a known vapour pressure. We have determined P(298 K and ΔHsub of the first 5 saturated straight chain dicarboxylic acids: 2.15±1.19×10-2 Pa and 75±19 KJ mol−1 respectively for oxalic acid, 5.73±1.14×10-4 Pa and 91±4 KJ mol−1 for Malonic acid, 1.13±0.47×10-4 Pa and 93±6 KJ mol−1 for Succinic acid, 4.21±1.66×10-4 Pa and 123±22 KJ mol−1 for Glutaric acid and 6.09±3.85×10-6 Pa and 125±40 KJ mol−1 for Adipic acid.

  20. In vivo analysis of palm wine (Elaeis guineensis) volatile organic compounds (VOCs) by proton transfer reaction-mass spectrometry

    Science.gov (United States)

    Lasekan, Ola; Otto, Sabine

    2009-04-01

    The in vivo volatile organic compounds (VOCs) release patterns in palm wine was carried out using the PTR-MS. In order to analyze the complex mixtures of VOCs in palm wine, the fragmentation patterns of 14 known aroma compounds of palm wine were also investigated. Results revealed masses m/z (43, 47, 61, 65, 75, 89 and 93) as the predominant ones measured in-breathe exhaled from the nose, during consumption of palm wine. Further studies of aroma's fragmentation patterns, showed that the m/z 43 is characteristic of fragment of various compounds, while m/z 47 is ethanol, m/z 61(acetic acid), m/z 65 (protonated ethanol cluster ions), m/z 75 (methyl acetate), m/z 89 (acetoin) and m/z 93 (2-phenylethanol) respectively. The dynamic release parameters (Imax and tmax) of the 7 masses revealed significant (P = 0.05) differences, between maximum intensity (Imax) and no significant (P = 0.05) differences between tmax among VOCs respectively.

  1. The latent fingerprint in mass transport of polycrystalline materials

    Science.gov (United States)

    Thirunavukarasu, Gopinath; Kundu, Sukumar; Chatterjee, Subrata

    2016-02-01

    Herein, a systematic investigation was carried out to reach a rational understanding and to provide information concerning the possible causes for a significant influence of pressure variation in the underlying processes of mass transport in polycrystalline materials. The authors focused their research in solid-state diffusion, a part of the subject "Mass Transport in Solids". Theories on diffusion are the subject by itself which exists as a latent fingerprint in every text of higher learning in interdisciplinary science. In this research, authors prepared sandwich samples of titanium alloy and stainless steel using nickel as an intermediate metal. The samples were processed at three different levels of bonding pressure (3, 4 and 5 MPa) while bonding temperature and bonding time was maintained at 750 °C and 1 h, respectively, throughout the experiments. It was observed that the net flux of atomic diffusion of nickel atoms into Ti-alloy at TiA/Ni interface increased by ~63 % with the rise in the bonding pressure from 3 to 4 MPa, but decreased by ~40 % with the rise in the bonding pressure from 4 to 5 MPa. At the same time, the net flux of atomic diffusion of nickel atoms into stainless steel at Ni/SS interface increased by ~19 % with the rise in the bonding pressure from 3 to 4 MPa, but increased by ~17 % with the rise in the bonding pressure from 4 to 5 MPa. Here authors showed that the pressure variations have different effects at the TiA/Ni interface and Ni/SS interface, and tried to explain the explicit mechanisms operating behind them. In general for sandwich samples processed irrespective of bonding pressure chosen, the net flux of Ni-atoms diffused into SS is greater than that of the net flux of Ni-atoms diffused in Ti-alloy matrix by four orders of magnitude. The calculated diffusivity of Ni-atoms into Ti-alloy reaches its highest value of ~5.083 × 10-19 m2/s for the sandwich sample processed using 4-MPa bonding-pressure, whereas the diffusivity of Ni

  2. Conception for enhanced mass transport in binary nanofluids

    Science.gov (United States)

    Xuan, Yimin

    2009-12-01

    Besides their application in enhancing heat transfer, suspended nanoparticles have been found to improve mass transfer process inside binary nanofluids. The concepts of enhanced mass transfer in binary nanofluids are involved. By means of the heat and mass transfer analogy, the approaches for determining the mass diffusivity and mass transfer coefficient are proposed and discussed.

  3. Estimation of fluid flow and mass transport properties in a natural fracture using laboratory testing system on mass transport in fractured rock (LABROCK)

    Energy Technology Data Exchange (ETDEWEB)

    Yoshino, Naoto; Uchida, Masahiro [Japan Nuclear Cycle Development Inst., Tokai Works, Tokai, Ibaraki (Japan); Satou, Hisashi [Inspection Development Company Ltd., Tokai, Ibaraki (Japan)

    2003-03-01

    The understanding of mass transport and fluid flow properties in natural rock fractures is important for safety assessment of geological disposal of high level nuclear waste. The authors developed advanced tracer test equipment in which a 50-cm cubic scale rock sample was feasible. The mass transport and fluid flow properties in a single fracture were also examined. The relation among hydraulic, transport and mass balance apertures of a natural single fracture were obtained. Heterogeneity of the aperture distribution was evident, as was the possibility of some major flow line perpendicular to the flow direction. Additionally, the relation between normal stress and each aperture was also obtained by loading normal stress on the fracture. In future, measuring the aperture distribution and establishing the model considering fluid flow and mass transport properties in natural rock fractures will be conducted. (author)

  4. Mass transport model through the skin by microencapsulation system.

    Science.gov (United States)

    Carreras, Núria; Alonso, Cristina; Martí, Meritxell; Lis, Manel J

    2015-01-01

    Skin drug delivery can be subdivided into topical and transdermal administration. Transdermal administration can take advantage of chemical and physical strategies that can improve skin permeability and allow drug penetration. In this study, the development of a skin penetration profile was carried out by an in vitro technique for a microencapsulated system of ibuprofen. Release experiments were performed using percutaneous absorption tests to determine the evolution of the principle present in each of the different skin compartments as a function of time. A general kinetic model for a microencapsulated structure as a mass transport system through the skin was applied: [Formula: see text] This model could predict the penetration profile of encapsulated substances through skin from biofunctional textiles as well as estimate the dosage profile of the active principle. The apparent diffusion coefficients found were 1.20 × 10(-7 )cm/s for the stratum corneum and higher for the rest of the skin 6.67 × 10(-6 )cm/s.

  5. First-principles calculations of mass transport in magnesium borohydride

    Science.gov (United States)

    Yu, Chao; Ozolins, Vidvuds

    2013-03-01

    Mg(BH4)2 is a hydrogen storage material which can decompose to release hydrogen in the following reaction: Mg(BH4)2(solid) -->1/6 MgB12H12(solid) + 5/6MgH2(solid) +13/6 H2(gas) --> MgH2(solid) + 2B(solid) + 4H2(gas). However, experiments show that hydrogen release only occurs at temperatures above 300 °C, which severely limits applications in mobile storage. Using density-functional theory calculations, we systematically study bulk diffusion of defects in the reactant Mg(BH4)2 and products MgB12H12 and MgH2 during the first step of the solid-state dehydrogenation reaction. The defect concentrations and concentration gradients are calculated for a variety of defects, including charged vacancies and interstitials. We find that neutral [BH3] vacancies have the highest bulk concentration and concentration gradient in Mg(BH4)2. The diffusion mechanism of [BH3] vacancy in Mg(BH4)2 is studied using the nudged elastic band method. Our results shows that the calculated diffusion barrier for [BH3] vacancies is ~ . 2 eV, suggesting that slow mass transport limits the kinetics of hydrogen desorption.

  6. Characterization of Volatile Compounds from Ethnic Agave Alcoholic Beverages by Gas Chromatography-Mass Spectrometry

    Directory of Open Access Journals (Sweden)

    Pilar Escalante-Minakata

    2008-01-01

    Full Text Available Ethnic Agave alcoholic beverages such as raicilla, sisal, tequila, mezcal, bacanora, sotol and pulque have been analyzed by gas chromatography and headspace solid-phase microextraction- gas chromatography-mass spectrometry (HS-SPME-GC-MS. There were 105 compounds identified, eleven were classified as major compounds and the others were classified as minor compounds. Seventeen minor compounds could be used as authenticity markers since they were beverage specific. Cluster analysis (CA showed that Agave alcoholic beverages could be distinguished by multivariate analysis of major compounds; however, the analysis of minor compounds provided a better fingerprinting.

  7. Magnetic resonance imaging of mass transport and structure inside a phototrophic biofilm.

    Science.gov (United States)

    Ramanan, Baheerathan; Holmes, William M; Sloan, William T; Phoenix, Vernon R

    2013-05-01

    The aim of this study was to utilize magnetic resonance imaging (MRI) to image structural heterogeneity and mass transport inside a biofilm which was too thick for photon based imaging. MRI was used to map water diffusion and image the transport of the paramagnetically tagged macromolecule, Gd-DTPA, inside a 2.5 mm thick cyanobacterial biofilm. The structural heterogeneity of the biofilm was imaged at resolutions down to 22 × 22 μm, enabling the impact of biofilm architecture on the mass transport of both water and Gd-DTPA to be investigated. Higher density areas of the biofilm correlated with areas exhibiting lower relative water diffusion coefficients and slower transport of Gd-DTPA, highlighting the impact of biofilm structure on mass transport phenomena. This approach has potential for shedding light on heterogeneous mass transport of a range of molecular mass molecules in biofilms.

  8. The influence of surfactant on mass transfer coefficients in evaporation of volatile organic compound from water basin

    Directory of Open Access Journals (Sweden)

    Bunyakan, C.

    2002-04-01

    Full Text Available Volatile organic compounds (VOCs have been found in wastewater of many chemical industries. Evaporation of VOCs from open water basin in waste treatment facilities causes air-pollution and has been regulated in many countries. Reduction or prevention of VOCs evaporation from open water basin is then necessary. The aim of this research was to investigate the influence of surface film generated by an insoluble surfactant on the mass transfer coefficient of VOCs evaporating from water. Hexadecanol and octadecanol were used as surfactant in this investigation with the amount in the range of 0 to 35 μg/cm2 and 0 to 25 μg/cm2, respectively. The VOCs used in this study were methanol, acetone, methyl ethyl ketone and toluene. The experimental results showed that the surfactant film can reduce the gas film and liquid coefficients by 56 and 80 %, respectively. The suitable amounts of the surfactant were 25 μg/cm2 for hexadecanol and 15 μg/cm2 for octadecanol. From this investigation we can conclude that covering the water surface with a film of hexadecanol or octadecanol could significantly reduce the VOCs evaporation rate.Finally, the empirical equations correlating gas film and liquid film coefficient to amount of surfactants were developed and verified against the experimental data. The predicted values of the overall mass transfer coefficients, obtained by using these empirical equations, were in good agreement with the measured values. Thus the empirical equations of mass transfer coefficients developed in this work can be used to predict the evaporation rates of VOCs from water surface covered by hexadecanol or octadecanol film.

  9. Multi-Component Profiling of Trace Volatiles in Blood by Gas Chromatography/Mass Spectrometry with Dynamic Headspace Extraction.

    Science.gov (United States)

    Kakuta, Shoji; Yamashita, Toshiyuki; Nishiumi, Shin; Yoshida, Masaru; Fukusaki, Eiichiro; Bamba, Takeshi

    2015-01-01

    A dynamic headspace extraction method (DHS) with high-pressure injection is described. This dynamic extraction method has superior sensitivity to solid phase micro extraction, SPME and is capable of extracting the entire gas phase by purging the headspace of a vial. Optimization of the DHS parameters resulted in a highly sensitive volatile profiling system with the ability to detect various volatile components including alcohols at nanogram levels. The average LOD for a standard volatile mixture was 0.50 ng mL(-1), and the average LOD for alcohols was 0.66 ng mL(-1). This method was used for the analysis of volatile components from biological samples and compared with acute and chronic inflammation models. The method permitted the identification of volatiles with the same profile pattern as in vitro oxidized lipid-derived volatiles. In addition, the concentration of alcohols and aldehydes from the acute inflammation model samples were significantly higher than that for the chronic inflammation model samples. The different profiles between these samples could also be identified by this method. Finally, it was possible to analyze alcohols and low-molecular-weight volatiles that are difficult to analyze by SPME in high sensitivity and to show volatile profiling based on multi-volatile simultaneous analysis.

  10. Profiling of volatile compounds in APC(Min/+) mice blood by dynamic headspace extraction and gas chromatography/mass spectrometry.

    Science.gov (United States)

    Kakuta, Shoji; Nishiumi, Shin; Yoshida, Masaru; Fukusaki, Eiichiro; Bamba, Takeshi

    2015-10-15

    Various volatile compounds as well as hydrophilic compounds exist in the blood. For example, 2-alkenals, 4-hydroxy-2-alkenals, and ketoaldehydes have been reported as oxidized lipid-derived volatiles in blood. These specific volatiles have been associated with diseases; however, multi-volatile analyses have not been performed. In this study, volatile profiling of APC(Min/+) mouse plasma by dynamic headspace extraction was performed for multi-volatile analysis. In total, 19 volatiles were detected in the plasma of mice, based on information regarding oxidized lipid-derived volatile compounds, and eight of these compounds differed significantly between normal and diseased mice. 2-Methyl-2-butanol and benzyl alcohol were previously unreported in blood samples. Furthermore, 3,5,5-trimethyl-2(5H)-furanone was only detected in normal mice. 5-Methyl-3-hexanone and benzaldehyde have been detected in subjects with gastrointestinal diseases and lung cancer, respectively. Therefore, volatile profiling can be used to detect differences between samples and to identify compounds associated with diseases.

  11. Factors associated with sources, transport, and fate of volatile organic compounds and their mixtures in aquifers of the United States

    Science.gov (United States)

    Squillace, P.J.; Moran, M.J.

    2007-01-01

    Factors associated with sources, transport, and fate of volatile organic compounds (VOCs) in groundwater from aquifers throughout the United States were evaluated using statistical methods. Samples were collected from 1631 wells throughout the conterminous United States between 1996 and 2002 as part of the National Water-Quality Assessment (NAWQA) Program of the U.S. Geological Survey. Water samples from wells completed in aquifers used to supply drinking water were analyzed for more than 50 VOCs. Wells were primarily rural domestic water supplies (1184), followed by public water supplies (216); the remaining wells (231) supplied a variety of uses. The median well depth was 50 meters. Age-date information shows that about 60% of the samples had a fraction of water recharged after 1953. Chloroform, toluene, 1,2,4-trimethylbenzene, and perchloroethene were some of the frequently detected VOCs. Concentrations generally were less than 1 ??g/L. Source factors include, in order of importance, general land-use activity, septic/sewer density, and sites where large concentrations of VOCs are potentially released, such as leaking underground storage tanks. About 10% of all samples had VOC mixtures that were associated with concentrated sources; 20% were associated with dispersed sources. Important transport factors included well/screen depth, precipitation/groundwater recharge, air temperature, and various soil characteristics. Dissolved oxygen was strongly associated with VOCs and represents the fate of many VOCs in groundwater. Well type (domestic or public water supply) was also an important explanatory factor. Results of multiple analyses show the importance of (1) accounting for both dispersed and concentrated sources of VOCs, (2) measuring dissolved oxygen when sampling wells to help explain the fate of VOCs, and (3) limiting the type of wells sampled in monitoring networks to avoid unnecessary variance in the data, or controlling for this variance during data analysis.

  12. Fungal infections of fresh-cut fruit can be detected by the gas chromatography-mass spectrometric identification of microbial volatile organic compounds.

    Science.gov (United States)

    Lloyd, Steven W; Grimm, Casey C; Klich, Maren A; Beltz, Shannon B

    2005-06-01

    There is a large and rapidly growing market for fresh-cut fruit. Microbial volatile organic compounds indicate the presence of fungal or bacterial contamination in fruit. In order to determine whether microbial volatile organic compounds can be used to detect contamination before fruit becomes unmarketable, pieces of cantaloupe, apple, pineapple, and orange were inoculated with a variety of fungal species, incubated at 25 degrees C, then sealed in glass vials. The volatiles were extracted by headspace solid-phase microextraction and analyzed by gas chromatography-mass spectrometry. Forty-five compounds were identified that might serve as unique identifiers of fungal contamination. Fungal contamination can be detected as early as 24 h after inoculation.

  13. Selected Ion Flow-Drift Tube Mass Spectrometry: Quantification of Volatile Compounds in Air and Breath.

    Science.gov (United States)

    Spesyvyi, Anatolii; Smith, David; Španěl, Patrik

    2015-12-15

    A selected ion flow-drift tube mass spectrometric analytical technique, SIFDT-MS, is described that extends the established selected ion flow tube mass spectrometry, SIFT-MS, by the inclusion of a static but variable E-field along the axis of the flow tube reactor in which the analytical ion-molecule chemistry occurs. The ion axial speed is increased in proportion to the reduced field strength E/N (N is the carrier gas number density), and the residence/reaction time, t, which is measured by Hadamard transform multiplexing, is correspondingly reduced. To ensure a proper understanding of the physics and ion chemistry underlying SIFDT-MS, ion diffusive loss to the walls of the flow-drift tube and the mobility of injected H3O(+) ions have been studied as a function of E/N. It is seen that the derived diffusion coefficient and mobility of H3O(+) ions are consistent with those previously reported. The rate coefficient has been determined at elevated E/N for the association reaction of the H3O(+) reagent ions with H2O molecules, which is the first step in the production of H3O(+)(H2O)1,2,3 reagent hydrate ions. The production of hydrated analyte ion was also experimentally investigated. The analytical performance of SIFDT-MS is demonstrated by the quantification of acetone and isoprene in exhaled breath. Finally, the essential features of SIFDT-MS and SIFT-MS are compared, notably pointing out that a much lower speed of the flow-drive pump is required for SIFDT-MS, which facilitates the development of smaller cost-effective analytical instruments for real time breath and fluid headspace analyses.

  14. Aroma active volatiles in four southern highbush blueberry cultivars determined by gas chromatography-olfactometry (GC-O) and gas chromatography-mass spectrometry (GC-MS).

    Science.gov (United States)

    Du, Xiaofen; Rouseff, Russell

    2014-05-21

    Aroma active volatiles in four southern highbush blueberry cultivars ('Prima Dona', 'Jewel', 'Snow Chaser', and 'Kestrel') were determined using solid phase microextraction (SPME) in combination with gas chromatography-olfactometry (GC-O) and identified via GC-PFPD and GC-MS using retention indices of reference compounds and mass spectral data. The aromas of total, unseparated SPME extracts evaluated using GC-O were rated 8.2-9.0/10 for the four cultivars in terms of similarity to the original blueberry homogenates. In terms of GC-O aroma similarity, those aroma active volatile groups characterized as green, fruity, and floral were most intense. Of the 43 volatiles found to have aroma activity, 38 were identified and 13 had not been previously reported in blueberries. Although linalool and (E)-2-hexenal were common major aroma impact volatiles, dominant aroma-active volatiles were different for each cultivar. Principal component analysis confirmed that each cultivar possessed a unique aroma active profile as each cultivar was clustered into a separate score plot quadrant.

  15. A powerful methodological approach combining headspace solid phase microextraction, mass spectrometry and multivariate analysis for profiling the volatile metabolomic pattern of beer starting raw materials.

    Science.gov (United States)

    Gonçalves, João L; Figueira, José A; Rodrigues, Fátima P; Ornelas, Laura P; Branco, Ricardo N; Silva, Catarina L; Câmara, José S

    2014-10-01

    The volatile metabolomic patterns from different raw materials commonly used in beer production, namely barley, corn and hop-derived products - such as hop pellets, hop essential oil from Saaz variety and tetra-hydro isomerized hop extract (tetra hop), were established using a suitable analytical procedure based on dynamic headspace solid-phase microextraction (HS-SPME) followed by thermal desorption gas chromatography-quadrupole mass spectrometry detection (GC-qMS). Some SPME extraction parameters were optimized. The best results, in terms of maximum signal recorded and number of isolated metabolites, were obtained with a 50/30 μm DVB/CAR/PDMS coating fiber at 40 °C for 30 min. A set of 152 volatile metabolites comprising ketones (27), sesquiterpenes (26), monoterpenes (19), aliphatic esters (19), higher alcohols (15), aldehydes (11), furan compounds (11), aliphatic fatty acids (9), aliphatic hydrocarbons (8), sulphur compounds (5) and nitrogen compounds (2) were positively identified. Each raw material showed a specific volatile metabolomic profile. Monoterpenes in hop essential oil and corn, sesquiterpenes in hop pellets, ketones in tetra hop and aldehydes and sulphur compounds in barley were the predominant chemical families in the targeted beer raw materials. β-Myrcene was the most dominant volatile metabolite in hop essential oil, hop pellets and corn samples while, in barley, the predominant volatile metabolites were dimethyl sulphide and 3-methylbutanal and, in tetra hop, 6-methyl-2-pentanone and 4-methyl-2-pentanone. Principal component analysis (PCA) showed natural sample grouping among beer raw materials.

  16. The development of a rugged, field portable membrane introduction tandem mass spectrometer and its use as an on-line monitor for volatile and semi-volatile organic compounds in the Alberta Oil Sands

    Energy Technology Data Exchange (ETDEWEB)

    Nicholas, Davey [Applied Environmental Research Laboratories (Canada)

    2011-07-01

    In Alberta, steam assisted gravity drainage is a process often used to enhance oil recovery from open pit mining or heavy oil reservoirs. This process releases volatile and semi-volatile organic compounds (VOC/SVOC) into the atmosphere or process waters. Thus a field portable analytical instrument is needed to monitor VOC/SVOC. The aim of this paper is to present the development of such a tool and its results. A field portable membrane introduction tandem mass spectrometer was developed through a multiyear collaboration between Statoil, NTNU and Griffin. This technology can analyze both atmospheric and aqueous environmental samples. Calibrations of the system were carried out in a laboratory and the system was then tested in two field trials in the Alberta oil sands. This work gives results of these different tests and explores the use of thermally assisted membrane interfaces and in-membrane trap and release strategies.

  17. Comparison of extraction techniques and mass spectrometric ionization modes in the analysis of wine volatile carbonyls

    Energy Technology Data Exchange (ETDEWEB)

    Zapata, Julian; Mateo-Vivaracho, Laura; Cacho, Juan [Laboratory for Flavor Analysis and Enology, Institute of Engineering of Aragon, I3A, Department of Analytical Chemistry, Faculty of Sciences, University of Zaragoza, 50009 Zaragoza (Spain); Ferreira, Vicente, E-mail: vferre@unizar.es [Laboratory for Flavor Analysis and Enology, Institute of Engineering of Aragon, I3A, Department of Analytical Chemistry, Faculty of Sciences, University of Zaragoza, 50009 Zaragoza (Spain)

    2010-02-15

    This work presents a comparative study of the analytical characteristics of two methods for the analysis of carbonyl compounds in wine, both based on the derivatization with O-(2,3,4,5,6-pentafluorobenzyl)hydroxylamine hydrochloride (PFBHA). In the first method derivatives are formed in the solid phase extraction (SPE) cartridge in which the analytes have been previously isolated, while in the second method derivatives are formed in a solid phase microextraction (SPME) fibre saturated with vapors of the reagent and exposed to the sample headspace. In both cases detection has been carried out by electron impact (EI) or negative chemical ionization (NCI) mass spectrometry. The possibility of determining haloanisols simultaneously has been also considered. The method based on SPE presents, in general, better analytical properties than the SPME one. Although linearity was satisfactory for both methods (R{sup 2} > 0.99), repeatability of the SPE method (RSD < 10%) was better than that obtained with SPME (9% < RSD < 20%). Detection limits obtained with EI are better for the SPE method except for trihaloanisols, while with NCI detection limits for both strategies are comparable, although the SPME strategy presents worse results for ketones and methional. Detection limits are always lower with NCI, being the improvement most notable for SPME. Recovery experiments show that in the case of SPE, uncertainties are lower than 12% in all cases, while with the SPME method the imprecision plus the existence of matrix effects make the global uncertainty to be higher than 15%.

  18. An improved, automated whole air sampler and gas chromatography mass spectrometry analysis system for volatile organic compounds in the atmosphere

    Science.gov (United States)

    Lerner, Brian M.; Gilman, Jessica B.; Aikin, Kenneth C.; Atlas, Elliot L.; Goldan, Paul D.; Graus, Martin; Hendershot, Roger; Isaacman-VanWertz, Gabriel A.; Koss, Abigail; Kuster, William C.; Lueb, Richard A.; McLaughlin, Richard J.; Peischl, Jeff; Sueper, Donna; Ryerson, Thomas B.; Tokarek, Travis W.; Warneke, Carsten; Yuan, Bin; de Gouw, Joost A.

    2017-01-01

    Volatile organic compounds were quantified during two aircraft-based field campaigns using highly automated, whole air samplers with expedited post-flight analysis via a new custom-built, field-deployable gas chromatography-mass spectrometry instrument. During flight, air samples were pressurized with a stainless steel bellows compressor into electropolished stainless steel canisters. The air samples were analyzed using a novel gas chromatograph system designed specifically for field use which eliminates the need for liquid nitrogen. Instead, a Stirling cooler is used for cryogenic sample pre-concentration at temperatures as low as -165 °C. The analysis system was fully automated on a 20 min cycle to allow for unattended processing of an entire flight of 72 sample canisters within 30 h, thereby reducing typical sample residence times in the canisters to less than 3 days. The new analytical system is capable of quantifying a wide suite of C2 to C10 organic compounds at part-per-trillion sensitivity. This paper describes the sampling and analysis systems, along with the data analysis procedures which include a new peak-fitting software package for rapid chromatographic data reduction. Instrument sensitivities, uncertainties and system artifacts are presented for 35 trace gas species in canister samples. Comparisons of reported mixing ratios from each field campaign with measurements from other instruments are also presented.

  19. Corona discharge ion mobility spectrometry with orthogonal acceleration time of flight mass spectrometry for monitoring of volatile organic compounds.

    Science.gov (United States)

    Sabo, Martin; Matejčík, Štefan

    2012-06-19

    We demonstrate the application of corona discharge ion mobility spectrometry with orthogonal acceleration time of flight mass spectrometry (CD IMS-oaTOF) for volatile organic compounds (VOCs) monitoring. Two-dimensional (2D) IMS-oaTOF spectra of VOCs were recorded in nearly real time. The corona discharge atmospheric pressure chemical ionization (APCI) source was operated in positive mode in nitrogen and air. The CD ion source generates in air H(3)O(+)(H(2)O)(n) and NO(+). The NO(+) offers additional possibility for selective ionization and for an increase of the sensitivity of monoaromatic compounds. In addition to H(3)O(+)(H(2)O)(n) and NO(+), we have carried out ionization of VOCs using acetone as dopant gas ((CH(3))(2)COH(+)). Sixteen model VOCs (tetrahydrofuran, butanol, n-propanol, iso-propano, acetone, methanol, ethanol, toluene, benzene, amomnia, dioxan, triethylamine, acetonitrile, formaldehyde, m-xylene, 2,2,2-trifluoroethylamine) were tested using these ionization techniques.

  20. Multiclass semi-volatile compounds determination in wine by gas chromatography accurate time-of-flight mass spectrometry.

    Science.gov (United States)

    Rodríguez-Cabo, T; Rodríguez, I; Ramil, M; Silva, A; Cela, R

    2016-04-15

    The performance of gas chromatography (GC) with accurate, high resolution mass spectrometry (HRMS) for the determination of a group of 39 semi-volatile compounds related to wine quality (pesticide residues, phenolic off-flavours, phenolic pollutants and bioactive stilbenes) is investigated. Solid-phase extraction (SPE) was used as extraction technique, previously to acetylation (phenolic compounds) and dispersive liquid-liquid microextraction (DLLME) concentration. Compounds were determined by GC coupled to a quadrupole time-of-flight (QTOF) MS system through an electron ionization (EI) source. The final method attained limits of quantification (LOQs) at the very low ng mL(-1) level, covering the range of expected concentrations for target compounds in red and white wines. For 38 out of 39 compounds, performance of sample preparation and determination steps were hardly affected by the wine matrix; thus, accurate recoveries were achieved by using pseudo-external calibration. Levels of target compounds in a set of 25 wine samples are reported. The capabilities of the described approach for the post-run identification of species not considered during method development, without retention time information, are illustrated and discussed with selected examples of compounds from different classes.

  1. Design and construction of a simple Knudsen Effusion Mass Spectrometer (KEMS system for vapour pressure measurements of low volatility organics

    Directory of Open Access Journals (Sweden)

    A. M. Booth

    2009-03-01

    Full Text Available A design of and initial results from a Knudsen Effusion Mass Spectrometer (KEMS are presented. The design was adapted from high temperature alloy studies with a view to using it to measure vapour pressures for low volatility organics. The system uses a temperature controlled cell with an effusive orifice. This produces a molecular beam which is sampled by a quadropole mass spectrometer with electron impact ionization calibrated to a known vapour pressure. We have determined P298 and ΔHsub of the first 5 unsaturated straight chain dicarboxylic acids: 2.15±1.19×10−2 Pa and 75±19 kJ mol−1 respectively for Oxalic acid, 5.15±0.76×104 Pa and 91±4 kJ mol−1 for Malonic acid, 9.19±2.26×10−5 Pa and 93±6 kJ mol−1 for Succinic acid, 4.21±1.66×10−4 Pa and 123±22 kJ mol−1 for Glutaric acid and 5.21±3.84×10−6 Pa and 125±40 kJ mol−1 for Adipic acid.

  2. Analytical performance of three commonly used extraction methods for the gas chromatography-mass spectrometry analysis of wine volatile compounds.

    Science.gov (United States)

    Andujar-Ortiz, I; Moreno-Arribas, M V; Martín-Alvarez, P J; Pozo-Bayón, M A

    2009-10-23

    The analytical performance of three extraction procedures based on cold liquid-liquid extraction using dicloromethane (LLE), solid phase extraction (SPE) using a styrene-divinylbenzene copolymer and headspace solid phase microextraction (SPME) using a carboxen-polydimethylsiloxane coated fibre has been evaluated based on the analysis of 30 representative wine volatile compounds. From the comparison of the three procedures, LLE and SPE showed very good linearity covering a wide range of concentrations of wine volatile compounds, low detection limits, high recovery for most of the volatile compounds under study and higher sensitivity compared to the headspace-SPME procedure. The latter showed in general, poor recovery for polar volatile compounds. Despite some drawbacks associated with the LLE and SPE procedures such as the more tedious sampling treatment and the use of organic solvents, the analytical performance of both procedures showed that they are more adequate for the analysis of wine volatiles.

  3. Comparative Analysis of the Volatile Components of Agrimonia eupatoria from Leaves and Roots by Gas Chromatography-Mass Spectrometry and Multivariate Curve Resolution

    Directory of Open Access Journals (Sweden)

    Xiao-Liang Feng

    2013-01-01

    Full Text Available Gas chromatography-mass spectrometry and multivariate curve resolution were applied to the differential analysis of the volatile components in Agrimonia eupatoria specimens from different plant parts. After extracted with water distillation method, the volatile components in Agrimonia eupatoria from leaves and roots were detected by GC-MS. Then the qualitative and quantitative analysis of the volatile components in the main root of Agrimonia eupatoria was completed with the help of subwindow factor analysis resolving two-dimensional original data into mass spectra and chromatograms. 68 of 87 separated constituents in the total ion chromatogram of the volatile components were identified and quantified, accounting for about 87.03% of the total content. Then, the common peaks in leaf were extracted with orthogonal projection resolution method. Among the components determined, there were 52 components coexisting in the studied samples although the relative content of each component showed difference to some extent. The results showed a fair consistency in their GC-MS fingerprint. It was the first time to apply orthogonal projection method to compare different plant parts of Agrimonia eupatoria, and it reduced the burden of qualitative analysis as well as the subjectivity. The obtained results proved the combined approach powerful for the analysis of complex Agrimonia eupatoria samples. The developed method can be used to further study and quality control of Agrimonia eupatoria.

  4. Characterization of the volatile fraction emitted by phloems of four pinus species by solid-phase microextraction and gas chromatography-mass spectrometry.

    Science.gov (United States)

    Santos, A M; Vasconcelos, T; Mateus, E; Farrall, M H; Gomes da Silva, M D R; Paiva, M R; Branco, M

    2006-02-10

    Pine forests constitute some of the most important renewable resources supplying timber, paper and chemical industries, among other functions. Characterization of the volatiles emitted by different Pinus species has proven to be an important tool to decode the process of host tree selection by herbivore insects, some of which cause serious economic damage to pines. Variations in the relative composition of the bouquet of semiochemicals are responsible for the outcome of different biological processes, such as mate finding, egg-laying site recognition and host selection. The volatiles present in phloem samples of four pine species, P. halepensis, P. sylvestris, P. pinaster and P. pinea, were identified and characterized with the aim of finding possible host-plant attractants for native pests, such as the bark beetle Tomicus piniperda. The volatile compounds emitted by phloem samples of pines were extracted by headspace solid-phase micro extraction, using a 2cm 50/30mm divinylbenzene/carboxen/polydimethylsiloxane table flex solid-phase microextraction fiber and its contents analyzed by high-resolution gas chromatography, using flame ionization and a non polar and chiral column phases. The components of the volatile fraction emitted by the phloem samples were identified by mass spectrometry using time-of-flight and quadrupole mass analyzers. The estimated relative composition was used to perform a discriminant analysis among pine species, by means of cluster and principal component analysis. It can be concluded that it is possible to discriminate pine species based on the monoterpenes emissions of phloem samples.

  5. Detection of Volatile Aroma Compounds of Morchella by Headspace Gas Chromatography Mass Spectrometry (HS-GC/MS

    Directory of Open Access Journals (Sweden)

    Hatira TAŞKIN

    2013-05-01

    Full Text Available   This study was conducted at the Horticulture Department of Çukurova University, Adana, Turkey, in 2010 to determine the volatile aroma compounds of Morchella mushroom. Fresh samples of Morchella esculenta (Sample 1 and Morchella elata (Sample 2 were collected from Çanakkale (Sample 1 and Mersin (Sample 2 provinces in Turkey in the spring of 2010. Volatile aroma compounds were analyzed by headspace gas chromatography mass spectrometry (HS-GC/MS. A total of 31 aroma compounds were identified in the 2 analyzed samples: 7 alcohols, 7 esters, 7 ketones, 3 acids, 2 aldehydes, 1 terpene, phenol, 1-propanamine, geranyl linalool, and quinoline. Seventeen aroma components were identified in Sample 1, and 18 compounds were found in Sample 2. Phenol was determined as the major aroma compound in both Sample 1 and Sample 2, at 50.888% and 58.293% content, respectively. Alcohols, especially 1-octen-3-ol, were detected as the second major aroma components in Sample 1 and Sample 2, at 15.500% and 5.660% content, respectively. Carbamic acid, methyl ester was found only in Sample 1, at 11.379% content. The aroma components detected in the two samples differed. 1-Octadecanol; cyclooctylalcohol; trans-2-undecen-1-ol; butanoic acid, butyl ester (CAS; carbamic acid, methyl ester; 2-ethylhexyl-2-ethylhexanoate; phthalic acid, decyl isobutyl ester; 2,2,4-trimethyl-1,3-pentanediol diisobutyrate; decanal; nonanal; 7,9-di-tert-butyl-1-oxaspiro(4.5deca-6,9-diene-2,8-dione; 2,5-cyclohexadiene-1,4-dione; 2,6-bis(1,1-dimethylethyl; and trans-alpha-bisabolene were detected only in Sample 1. Ethanol; silanediol, 2-methylaminoethanol; L-alanine, ethyl ester; carbonic acid, dodecyl isobutyl ester; acetic acid; butanoic acid; 2,3,4H-pyran-4-one; 5,9-undecadien-2-one; cyclooctene; 2-cyclopenten-1-one; 1-propanamine; geranyl linalool; and quinoline were determined only in Sample 2.

  6. New UPLC coupled to mass spectrometry approaches for screening of non-volatile compounds as potential migrants from adhesives used in food packaging materials.

    Science.gov (United States)

    Canellas, E; Nerín, C; Moore, R; Silcock, P

    2010-05-07

    The objective of this study was to identify the non-volatile compounds as potential migrants from adhesives used in food packaging. A number of the current acrylic adhesive formulations were extracted and prepared for analysis. The extracts were screened using ultra-performance liquid chromatography coupled to a time-of-flight mass spectrometer detector (UPLC-TOF-MS). This approach allowed the identification of several components by a combination of exact mass and in-source collision induced dissociation (CID). Due to the lack of freely available information on adhesive formulations further analyses were undertaken using ultra-performance liquid chromatography coupled to high definition mass spectrometry (UPLC-HDMS). Using the Mass Fragment tool to interrogate fragmentation data, a wide series of compounds were identified, demonstrating the usefulness and importance of these tools for difficult problems. Moreover, using several packaging materials containing adhesives, qualitative migration tests were performed with Tenax as a food simulant. Several non-volatile compounds were identified as well in the Tenax which emphasizes the importance of this work and demonstrates that even the non-volatile compounds have the potential to migrate into food which is in contact with packaging materials. The main characteristics of the screening study and the results obtained are shown and discussed.

  7. Sexual behavior and male volatile compounds in wild and mass-reared strains of the Mexican fruit fly Anastrepha ludens (Diptera: Tephritidae) held under different colony management regimes.

    Science.gov (United States)

    Bosa, Carlos Felipe; Cruz-López, Leopoldo; Zepeda-Cisneros, Cristina Silvia; Valle-Mora, Javier; Guillén-Navarro, Karina; Liedo, Pablo

    2016-02-01

    We compared the calling and mating behavior and volatile release of wild males Anastrepha ludens (Loew) with males from 4 mass-reared strains: (i) a standard mass-reared colony (control), (ii) a genetic sexing strain (Tap-7), (iii) a colony started from males selected on their survival and mating competitiveness abilities (selected), and (iv) a hybrid colony started by crossing wild males with control females. Selected and wild males were more competitive, achieving more matings under field cage conditions. Mass-reared strains showed higher percentages of pheromone calling males under field conditions except for Tap-7 males, which showed the highest percentages of pheromone calling males under laboratory cage conditions. For mature males of all strains, field-cage calling behavior increased during the last hour before sunset, with almost a 2 fold increase exhibited by wild males during the last half hour. The highest peak mating activity of the 4 mass-reared strains occurred 30 min earlier than for wild males. By means of solid phase microextraction (SPME) plus gas chromatography-mass spectrometry (GC-MS), the composition of volatiles released by males was analyzed and quantified. Wild males emitted significantly less amounts of (E,E)-α-farnesene but emitted significantly more amounts of (E,E)-suspensolide as they aged than mass-reared males. Within the 4 mass-reared strains, Tap-7 released significantly more amounts of (E,E)-α-farnesene and hybrid more of (E,E)-suspensolide. Differences in chemical composition could be explained by the intrinsic characteristics of the strains and the colony management regimes. Characterization of calling behavior and age changes of volatile composition between wild and mass-reared strains could explain the differences in mating competitiveness and may be useful for optimizing the sterile insect technique in A. ludens. © 2014 Institute of Zoology, Chinese Academy of Sciences.

  8. Identification of volatile and semivolatile compounds in chemical ionization GC-MS using a mass-to-structure (MTS) Search Engine with integral isotope pattern ranking.

    Science.gov (United States)

    Liao, Wenta; Draper, William M

    2013-02-21

    The mass-to-structure or MTS Search Engine is an Access 2010 database containing theoretical molecular mass information for 19,438 compounds assembled from common sources such as the Merck Index, pesticide and pharmaceutical compilations, and chemical catalogues. This database, which contains no experimental mass spectral data, was developed as an aid to identification of compounds in atmospheric pressure ionization (API)-LC-MS. This paper describes a powerful upgrade to this database, a fully integrated utility for filtering or ranking candidates based on isotope ratios and patterns. The new MTS Search Engine is applied here to the identification of volatile and semivolatile compounds including pesticides, nitrosoamines and other pollutants. Methane and isobutane chemical ionization (CI) GC-MS spectra were obtained from unit mass resolution mass spectrometers to determine MH(+) masses and isotope ratios. Isotopes were measured accurately with errors of Search Engine and details performance testing with over 50 model compounds.

  9. Mass and charge transport in micro and nanofluidic channels

    DEFF Research Database (Denmark)

    Mortensen, Niels Asger; Olesen, Laurits Højgaard; Okkels, Fridolin

    2007-01-01

    and charge transport coefficients that satisfy Onsager relations. In the limit of nonoverlapping Debye layers the transport coefficients are simply expressed in terms of parameters of the electrolyte as well as the hydraulic radiusR ¼ 2A=P with Aand P being the cross-sectional area and perimeter...

  10. Analysis and quantitation of volatile organic compounds emitted from plastics used in museum construction by evolved gas analysis-gas chromatography-mass spectrometry.

    Science.gov (United States)

    Samide, Michael J; Smith, Gregory D

    2015-12-24

    Construction materials used in museums for the display, storage, and transportation of artwork must be assessed for their tendency to emit harmful pollution that could potentially damage cultural treasures. Traditionally, a subjective metals corrosion test known as the Oddy test has been widely utilized in museums for this purpose. To augment the Oddy test, an instrumental sampling approach based on evolved gas analysis (EGA) coupled to gas chromatography (GC) with mass spectral (MS) detection has been implemented for the first time to qualitatively identify off-gassed pollutants under specific conditions. This approach is compared to other instrumental methods reported in the literature. This novel application of the EGA sampling technique yields several benefits over traditional testing, including rapidity, high sensitivity, and broad detectability of volatile organic compounds (VOCs). Furthermore, unlike other reported instrumental approaches, the EGA method was used to determine quantitatively the amount of VOCs emitted by acetate resins and polyurethane foams under specific conditions using both an external calibration method as well as surrogate response factors. EGA was successfully employed to rapidly characterize emissions from 12 types of common plastics. This analysis is advocated as a rapid pre-screening method to rule out poorly performing materials prior to investing time and energy in Oddy testing. The approach is also useful for rapid, routine testing of construction materials previously vetted by traditional testing, but which may experience detrimental formulation changes over time. As an example, a case study on batch re-orders of rigid expanded poly(vinyl chloride) board stock is presented. Copyright © 2015 Elsevier B.V. All rights reserved.

  11. A new European plant-specific emission inventory of biogenic volatile organic compounds for use in atmospheric transport models

    Directory of Open Access Journals (Sweden)

    M. Karl

    2009-06-01

    Full Text Available We present a new European plant-specific emission inventory for isoprene, monoterpenes, sesquiterpenes and oxygenated VOC (OVOC, on a spatial resolution of 0.089×0.089 degrees, for implementation in atmospheric transport models. The inventory incorporates more accurate data on foliar biomass densities from several litterfall databases that became available in the last years for the main tree species in Europe. A bioclimatic correction factor was introduced to correct the foliar biomass densities of trees and crops for the different plant growth conditions that can be found in Pan-Europe. Long-term seasonal variability of agriculture and forest emissions was taken into account by implementing a new growing season concept. The 2004–2005 averaged annual total biogenic volatile organic compound (BVOC emissions for the Pan-European domain are estimated to be about 12 Tg with a large contribution from the OVOC class of about 4.5 Tg and from monoterpenes of about 4 Tg. Annual isoprene emissions are found to be about 3.5 Tg, insensitive to the chosen emission algorithm. Emissions of OVOC were found to originate to a large extent from agriculture. Further experiments on crop emissions should be carried out to check the validity of the applied standard emission factors. The new inventory aims at a fully transparent and verifiable aggregation of detailed land use information and at the inclusion of plant-specific emission data. Though plant-specific land use data is available with relatively high accuracy, a lack of experimental biomass densities and emission data on terpenes, sesquiterpenes and oxygenated VOC, in particular for agricultural plants, currently limits the setup of a highly accurate plant-specific emission inventory.

  12. Microwave distillation followed by headspace single drop microextraction coupled to gas chromatography-mass spectrometry (GC-MS) for fast analysis of volatile components of Echinophora platyloba DC.

    Science.gov (United States)

    Gholivand, Mohammad Bagher; Abolghasemi, Mir Mahdi; Piryaei, Marzieh; Maassoumi, Sayed Mohammad; Papzan, Abdolhamid

    2013-05-01

    To avoid the traditional and time consuming hydrodistillation, the analyses of volatile components in aerial parts of Echinophora platyloba DC was carried out by a simple microwave distillation followed by headspace single drop microextraction (MD-HS-SDME) coupled to gas chromatography-mass spectrometry (GC-MS). The headspace volatile compounds were collected after irradiation using a single drop of n-heptadecan. The extraction conditions were optimised using the relative peak areas as index. The chemical composition of the MD-HS-SDME extracts was confirmed according to their retention indexes and mass spectra. Fifty-three components were extracted and identified by using the MD-HS-SDME method. E-β-ocimene (53.81%), R-D-decalactone (12.75%), α-pinene (6.43%), n-heptanol (6.27%), β-phellanderne (2.70%) and linalool (1.89%) were the major constituents. Copyright © 2012 Elsevier Ltd. All rights reserved.

  13. Investigation of influence of interaction between coals in binary blends on displacement of non-volatile mass of coal charge during carbonisation

    Energy Technology Data Exchange (ETDEWEB)

    Zubkova, Valentyna V. [Institute of Chemistry, Jan Kochanowski University, 5 Checinska Street, 25-020 Kielce (Poland)

    2002-05-20

    Interaction between the components of a binary coal blend has been studied using X-ray examination of a coal charge with contrasting elements embedded in it. We were the first to study the influence of changes in the composition of coal blends on the process of displacement of the non-volatile mass while being carbonised. It is shown that the macrostructure of the coal plastic layer changes under the influence of changes in the blend composition and so does the pressure distribution measured by the compensation method.Based on the comparison of experimental and theoretical curves for the displacement of the non-volatile mass, we estimated the effect of the interaction between the components of a blend on the process of formation of a solid carbonisation residue.

  14. Simultaneous determination of volatile and non-volatile nitrosamines in processed meat products by liquid chromatography tandem mass spectrometry using atmospheric pressure chemical ionisation and electrospray ionisation.

    Science.gov (United States)

    Herrmann, S S; Duedahl-Olesen, L; Granby, K

    2014-02-21

    A sensitive, selective and generic method has been developed for the simultaneous determination of the contents (μgkg(-1) range) of both volatile nitrosamines (VNA) and non-volatile nitrosamines (NVNA) in processed meat products. The extraction procedure only requires basic laboratory equipment and a small volume of organic solvent. Separation and quantification were performed by the developed LC-(APCI/ESI)MS/MS method. The method was validated using spiked samples of three different processed meat products. Satisfactory recoveries (50-130%) and precisions (2-23%) were obtained for eight VNA and six NVNAs with LODs generally between 0.2 and 1μgkg(-1), though for a few analyte/matrix combinations higher LODs were obtained (3 to 18μgkg(-1)). The validation results show that results obtained for one meat product is not always valid for other meat products. We were not able to obtain satisfactory results for N-nitrosohydroxyproline (NHPRO), N-nitrosodibenzylamine (NDBzA) and N-nitrosodiphenylamine (NDPhA). Application of the APCI interface improved the sensitivity of the method, because of less matrix interference, and gave the method a wider scope, as some NAs were ionisable only by APCI. However, it was only possible to ionize N-nitroso-thiazolidine-4-carboxylic acid (NTCA) and N-nitroso-2-methyl-thiazolidine-4-carboxylic acid (NMTCA) by ESI. The validated method was applied for the analysis of processed meat products and contents of N-nitrosodimethylamine (NDMA), N-nitrosopyrrolidine (NPYR), N-nitrosomethylaniline (NMA), N-nitrosoproline (NPRO), NTCA, and NMTCA were found in one or several nitrite cured meat products, whereas none were detected in non-nitrite cured bacon.

  15. Molecular composition of aged secondary organic aerosol generated from a mixture of biogenic volatile compounds using ultrahigh resolution mass spectrometry

    Directory of Open Access Journals (Sweden)

    I. Kourtchev

    2015-02-01

    Full Text Available Field observations over the past decade indicate that a significant fraction of organic aerosol in remote areas may contain highly oxidised molecules. Aerosol processing or further oxidation (ageing of organic aerosol has been suggested to be responsible for their formation through heterogeneous uptake of oxidants and multigenerational oxidation of vapours by OH radicals. In this study we investigated the influence of several ageing processes on the molecular composition of secondary organic aerosols (SOA using direct infusion and liquid chromatography ultrahigh resolution mass spectrometry. SOA was formed in simulation chamber experiments from ozonolysis of a mixture of four biogenic volatile organic compounds (BVOC: α-pinene, β-pinene, Δ3-carene and isoprene. The SOA was subsequently aged under three different sets of conditions: in the dark in the presence of residual ozone, with UV irradiation and OH radicals, and using UV light only. Among all studied conditions, only OH radical-initiated ageing was found to influence the molecular composition of the aerosol and showed an increase in carbon oxidation state (OSC and elemental O/C ratios of the SOA components. None of the ageing processes produced an observable effect on the oligomers formed from ozonolysis of the BVOC mixture, which were found to be equally abundant in both "fresh" and "aged" SOA. Additional experiments using α-pinene as the sole precursor demonstrated that oligomers are an important group of compounds in SOA produced from both ozonolysis and OH radical-initiated oxidation processes; however, a completely different set of oligomers is formed under these two oxidation regimes. SOA from the OH radical-initiated α-pinene oxidation had a significantly higher overall OSC and O/C compared to that from pure ozonolysis experiments confirming that the OH radical reaction is more likely to be responsible for the occurrence of highly oxidised species in ambient biogenic SOA.

  16. Microwave Extraction of Volatiles for Mars Science and ISRU

    Science.gov (United States)

    Ethridge, Edwin C.; Kaulker, William F.

    2012-01-01

    The greatest advantage of microwave heating for volatiles extraction is that excavation can be greatly reduced. Surface support operations would be simple consisting of rovers with drilling capability for insertion of microwaves down bore holes to heat at desired depths. The rovers would also provide support to scientific instruments for volatiles analysis and for volatiles collection and storage. The process has the potential for a much lower mass and a less complex system than other in-situ processes. Microwave energy penetrates the surface heating within with subsequent sublimation of water or decomposition of volatile containing minerals. On Mars the volatiles should migrate to the surface to be captured with a cold trap. The water extraction and transport process coupled with atmospheric CO2 collection could readily lead to a propellant production process, H2O + CO2 yields CH4 + O2.

  17. Dynamic Behavior and Mass Transport in Polyacrylic Acid Gel by Dynamic Light Scattering

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    Dynamic behaviors on polyacrylic acid (PAA) gels and mass (small molecules) transports in the gels have been studied mainly by dynamic light scattering (DLS). The cross-linking degree (fc), monomer concentration (Cm) and temperature of the gels have significant influences on its dynamic behavior and mass transport in the gels. The increase of fc leads to decrease of the mesh sizes of the gels, thus the obstacle of the gels for mass transport is increased. As a result, small molecular diffusion Dk in the gels is decreased. So even if for small molecules, the Dk also is influenced.

  18. Thickness Optimisation of Textiles Subjected to Heat and Mass Transport during Ironing

    Directory of Open Access Journals (Sweden)

    Korycki Ryszard

    2016-09-01

    Full Text Available Let us next analyse the coupled problem during ironing of textiles, that is, the heat is transported with mass whereas the mass transport with heat is negligible. It is necessary to define both physical and mathematical models. Introducing two-phase system of mass sorption by fibres, the transport equations are introduced and accompanied by the set of boundary and initial conditions. Optimisation of material thickness during ironing is gradient oriented. The first-order sensitivity of an arbitrary objective functional is analysed and included in optimisation procedure. Numerical example is the thickness optimisation of different textile materials in ironing device.

  19. Evaluation of volatile profiles obtained for minimally-processed pineapple fruit samples during storage by headspace-solid phase microextraction gas chromatography-mass spectrometry

    Directory of Open Access Journals (Sweden)

    Francielle Crocetta TURAZZI

    Full Text Available Abstract This paper describes the application of the solid-phase microextraction (SPME technique for the determination and monitoring of the volatile profile of minimally-processed pineapple fruit stored at various temperatures (-12 °C, 4 °C and 25 °C for different periods (1, 4 and 10 days. The SPME fiber coating composed of Car/PDMS presented the best performance. The optimal extraction conditions obtained through a Doehlert design were 60 min at 35 °C. The profiles for the volatile compounds content of the fruit at each stage of storage were determined by gas chromatography-mass spectrometry (GC-MS. The variation in the volatile profile over time was greater when the fruit samples were stored at 25 °C and at -12 °C compared to 4 °C. Thus, according to the volatile profiles associated with the storage conditions evaluated in this study, packaged pineapple retains best its fresh fruit aroma when stored at 4 °C.

  20. Solid phase microextraction-comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry for the analysis of honey volatiles.

    Science.gov (United States)

    Cajka, Tomás; Hajslová, Jana; Cochran, Jack; Holadová, Katerina; Klimánková, Eva

    2007-03-01

    Head-space solid phase microextration (SPME), followed by comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry (GCxGC-TOFMS), has been implemented for the analysis of honey volatiles, with emphasis on the optimal selection of SPME fibre and the first- and second-dimension GC capillaries. From seven SPME fibres investigated, a divinylbenzene/Carboxen/polydimethylsiloxane (DVB/CAR/PDMS) 50/30 microm fibre provided the best sorption capacity and the broadest range of volatiles extracted from the headspace of a mixed honey sample. A combination of DB-5ms x SUPELCOWAX 10 columns enabled the best resolution of sample components compared to the other two tested column configurations. Employing this powerful analytical strategy led to the identification of 164 volatile compounds present in a honey mixture during a 19-min GC run. Combination of this simple and inexpensive SPME-based sampling/concentration technique with the advanced separation/identification approach represented by GCxGC-TOFMS allows a rapid and comprehensive examination of the honey volatiles profile. In this way, the laboratory sample throughput can be increased significantly and, at the same time, the risk of erroneous identification, which cannot be avoided in one-dimensional GC separation, is minimised.

  1. Determination of volatile organic compounds in the dried leaves of Salvia species by solid-phase microextraction coupled to gas chromatography mass spectrometry.

    Science.gov (United States)

    Cozzolino, Rosaria; Ramezani, Sadrollah; Martignetti, Antonella; Mari, Angela; Piacente, Sonia; De Giulio, Beatrice

    2016-01-01

    Salvia spp. are used throughout the world both for food and pharmaceutical purposes. In this study, a method involving headspace solid-phase microextraction combined with gas chromatography-mass spectrometry was developed, to establish the volatiles profile of dried leaves of four Iranian Salvia spp.: Salvia officinalis L., Salvia leriifolia Benth, Salvia macrosiphon Boiss. and two ecotypes of Salvia reuterana Boiss. A total of 95 volatiles were identified from the dried leaves of the five selected samples. Specifically, α-thujone was the main component of S. officinalis L. and S. macrosiphon Boiss. (34.40 and 17.84%, respectively) dried leaves, S. leriifolia Benth was dominated by β-pinene (27.03%), whereas α-terpinene was the major constituent of the two ecotypes of S. reuterana Boiss. (21.67 and 13.84%, respectively). These results suggested that the proposed method can be considered as a reliable technique for isolating volatiles from aromatic plants, and for plant differentiation based on the volatile metabolomic profile.

  2. Study of the Volatile Constituents in Radix Flemingiae Macrophyllae and a Substitute by Gas Chromatography-Mass Spectrometry and Chemometric Methods

    Directory of Open Access Journals (Sweden)

    Lan-Fang Huang

    2012-11-01

    Full Text Available A combined approach of subwindow factor analysis and spectral correlative chromatography was used to analyze the volatile components in Radix Flemingiae Macrophyllae and Flemingiae Latifolia Benth, one of its substitutes. After extraction by a water distillation method, the volatile components in Radix Flemingiae Macrophyllae and Flemingiae Latifolia Benth were detected by GC-MS. Then the qualitative and quantitative analysis of the volatile components in Radix Flemingiae Macrophyllae was completed with the help of subwindow factor analysis resolving two-dimensional original data into mass spectra and chromatograms. Sixty five of 82 separated constituents in the total ion chromatogram of the volatile components in Radix Flemingiae Macrophyllae were identified and quantified, accounting for about 88.79% of the total content. Then, spectral correlative chromatography was used to extract correlative constituents in Flemingiae Latifolia Benth. Fifty one correlative components were recognized in essential oil of Flemingiae Latifolia Benth. The result proves the combined approach is powerful in the analysis of complex herbal samples. The developed method can be used to compare the sameness and differences of Radix Flemingiae Macrophyllae and its substitutes and it can also be used for quality control of Radix Flemingiae Macrophyllae.

  3. First results on headspace-solid phase microextraction-gas chromatography/mass spectrometry of volatile organic compounds emitted by wax objects in museums.

    Science.gov (United States)

    Lattuati-Derieux, A; Thao, S; Langlois, J; Regert, M

    2008-04-11

    Sampling volatile organic compounds (VOCs) emitted by a large variety of materials is nowadays a very useful technique for analytical purpose. In the field of cultural heritage, it can be applied to identify some constituents of museum artefacts off-gassing VOCs without sampling on the object itself. In this study, we focused on objects made of wax. First volatiles emitted by a reference beeswax were trapped and identified by headspace-solid phase microextraction (HS-SPME)-gas chromatography and mass spectrometry (GC/MS). This allowed to identify numerous volatile biomarkers, namely saturated n-alkanes from C(10) to C(21), saturated n-carboxylic acids containing 6-12 carbon atoms, benzene and cinnamic derivatives that may be considered as volatile biomarkers of beeswax. The SPME strategy was then performed at the Orsay museum (Paris) in a showcase containing a wax sculpture "Le Mineur de la Loire" by J.-J. Carriès. The use of beeswax in this sculpture was unequivocally confirmed by the VOCs concentrated in the showcase, together with a set of characteristic molecular compounds identified by HT-GC/MS. HS-SPME-GC/MS thus appears to be a powerful in situ and non-invasive analytical technique that allows to identify natural substances in the field of cultural heritage without any sampling of solid matter from the object. The results obtained are promising for orientating the strategy of preventive conservation related to works of art characterised by important emission of VOCs.

  4. GEM/POPs: a global 3-D dynamic model for semi-volatile persistent organic pollutants – Part 2: Global transports and budgets of PCBs

    Directory of Open Access Journals (Sweden)

    L. A. Barrie

    2007-03-01

    Full Text Available Global transports and budgets of three PCBs were investigated with a 3-D dynamic model for semi-volatile persistent organic pollutants – GEM/POPs. Dominant pathways were identified for PCB transports in the atmosphere with a peak transport flux below 8 km and 14 km for gaseous and particulate PCB28, 4 km and 6 km for gaseous and particulate PCB180. The inter-continental transports of PCBs in the Northern Hemisphere (NH are dominated in the zonal direction with their route changes seasonally regulated by the variation of westerly jet. The transport pathways from Europe and North Atlantic to the Arctic contributed the most PCBs over there. Inter-hemispheric transports of PCBs originated from the regions of Europe, Asia and North America in three different flow-paths, accompanying with easterly jet, Asian monsoon winds and trade winds. PCBs from the Southern Hemisphere (SH could export into the NH. According to the PCB emissions of year 2000, Europe, North America and Asia are the three largest sources of the three PCBs, contributing to the global background concentrations in the atmosphere and soil and water. Globally, PCB28 in soil and water has become a comparable source to the anthropogenic emissions while heavier PCBs such as PCB153 and 180 are still transporting into soil and water. It is found that lighter PCBs have more long range transport potentials than their heavier counter-parts in the atmosphere.

  5. Volatile behavior and trace metal transport in the magmatic-geothermal system at Pūtauaki (Mt. Edgecumbe), New Zealand

    Science.gov (United States)

    Norling, B.; Rowe, M. C.; Chambefort, I.; Tepley, F. J.; Morrow, S.

    2016-05-01

    The present-day hydrothermal system beneath the Kawerau Geothermal Field, in the Taupo Volcanic Zone, New Zealand, is likely heated from the Pūtauaki (Mt. Edgecumbe) magma system. The aim of this work, as an analog for present day processes, is to identify whether or not earlier erupted Pūtauaki magmas show evidence for volatile exsolution. This may have led to the transfer of volatile components from the magmatic to hydrothermal systems. To accomplish this, minerals and melt inclusions from volcanic products were analyzed for abundances of volatile and ore-forming elements (S, Cl, Li, Cu, Sn, Mo, W, Sb, As, and Tl). The variations in abundance of these elements were used to assess magma evolution and volatile exsolution or fluxing in the magma system. Melt inclusions suggest the evolution of Pūtauaki andesite-dacite magmas is predominantly driven by crystallization processes resulting in rhyodacite-rhyolite glass compositions (although textural and geochemical evidence still indicate a role for magma mixing). Measured mineral-melt partition coefficients for trace metals of interest indicates that, with the exception of Tl in biotite, analyzed metals are all incompatible in Pūtauaki crystallization products. Excluding Li and Cu, other volatile and ore metals recorded in melt inclusions behave incompatibly, with concentrations increasing during evolution from rhyodacitic to rhyolitic melt compositions. Li and Cu appear to have increased mobility likely resulting from diffusive exchange post-crystallization, and may be related to late volatile fluxing. Although S and Cl concentrations decrease with melt evolution, no mineralogical evidence exists to indicate the exsolution and mobility of ore-forming metals from the magma at the time of crystallization. This observation cannot rule out the potential for post-crystallization volatile exsolution and ore-forming metal mobilization, which may only be recorded as diffusive re-equilibration of more rapidly diffusing

  6. Analysis of Volatile Metabolites Released by Staphylococcus Aureus using Gas Chromatography-Mass Spectrometry and Determination of its Antifungal Activity

    Directory of Open Access Journals (Sweden)

    Hayfaa Hussein Jaddoa

    2016-08-01

    Full Text Available Bacterial volatile organic compounds (VOCs have been considered as sensitive and specific biomarkers for bacterial detection in human specimens and culture media. The possibility of using VOCs markers as one of the largest groups of bacterial metabolites would open a new frontier for developing more efficient techniques in the diagnosis of bacterial infections. The aims of this research were analysis of the bioactive chemical products and evaluation of antibacterial and antifungal activity. Bioactives (chemical compounds often referred to as secondary metabolites were analyzed using gas chromatography-mass spectroscopy (GC-MS techniques, then the in vitro antibacterial and antifungal activity of the methanolic extract was evaluated. Thirty five bioactive compounds were identified in the methanolic extract of Staphylococcus aureus. GC-MS analysis of Staphylococcus aureus revealed the existence of the: Hexanoic acid , 2-methyl, 12,15-Octadecadiynoic acid , methyl ester, 1-Aminononadecane ,N-trifluoroacetyl-, N-[3-[N-Aziridyl]propylidene]hexylamine, N-(2,5-Dicyano-3,4-dihydro-2H-pyrrol-2-yl-acetamide, 3-Cyclohex-3-enyl-propionic acid, 1-Methyl-4-[nitromethyl]-4-piperidinol, 3-Azonia-5-hexyn-1-ol , N,N-dimethyl-O-acetyl-,bromide, 1-Hexadecanol -2-methyl-, 1-Propyl-3,6-diazahomoadamantan, 9-Borabicyclo[3.3.1]nonane , 9-mercapto-, Benzyl methyl ketone, L-Aspartic acid ,N-glycyl-, Aminoacetamide , N-methyl-N-[4-(1-pyrrolidinyl-2-butynyl]-, Tertbutyloxyformamide , N-methyl-N-[4-(1-pyrrolidinyl-2-butyn, 5,7-Dodecadiyn-1,12-diol, Deoxyspergualin, D-Streptamine , O-6-deoxy-α-D-glucopyranosyl-(1-4, dl-Citrulline, N-[3-Diethylaminopropyl]-4-oxo-1,2,3,4,5,6,7,8-octahydroqui, N-Propionyl-D-glucoseamine, Cystine, 3,4-Dihydrocoumarin ,6-fluoro-4,4-dimethyl-, 4-(2,5-Dihydro-3-methoxyphenylbutylamine, 3-methoxy-2-(1-methylethyl-5-(2-methylpropylpyrazine, Uric acid, Thiocyanic acid 4-methoxy-2,6-dimethyl-3-pyridyl ester, 12-Dimethylamino-10-oxododecanoic acid

  7. Mass transport in carbon gels with tuned porosity

    Directory of Open Access Journals (Sweden)

    N. Job

    2012-12-01

    Full Text Available Diffusional limitations in carbon gel-supportedcatalysts are often encountered despite their openstructure. However, the analysis of mass transportis rarely taken into account in studies dealing withcatalyst preparation and test using thesenanostructured carbons as supports. Any catalyticsystem should be first subject to mass transportanalysis before any conclusion can be drawn aboutrelationships between the physico-chemicalproperties and the measured activity of the catalyst.

  8. STUDY ON THE CONTROLLED MASS TRANSPORT THROUGH POROUS MEMBRANES

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    l introductionMembrane Processes have been applied widely inchemical and biological separation and mass transferoperatioll. Tile mass tfansport tlimugh the membralleis driven either by pressure (sucll as ultrallltration,microfiltration and nanofiltration), or concelltration(diffusion) like dialysis, or by electric field(electrodialysis). While pressure drived Processes areiii-idel}' used for separation pmpose, diffusionprocesses is conllllon in colltrolled release and soluteexchange. Haemodialysis has been ...

  9. FEFLOW finite element modeling of flow, mass and heat transport in porous and fractured media

    CERN Document Server

    Diersch, Hans-Jörg G

    2013-01-01

    Placing advanced theoretical and numerical methods in the hands of modeling practitioners and scientists, this book explores the FEFLOW system for solving flow, mass and heat transport processes in porous and fractured media. Offers applications and exercises.

  10. The Origin of the Terra Meridiani Sediments: Volatile Transport and the Formation of Sulfate Bearing Layered Deposits on Mars

    Science.gov (United States)

    Niles, P.B.

    2008-01-01

    formation process which must have acted over a large area of Mars. The results of this study suggest a mechanism for volatile transport on Mars without invoking an early greenhouse. They also imply a common formation mechanism for most of the sulfate minerals and layered deposits on Mars, which explains their common occurrence.

  11. Differentiation of the volatile profile of microbiologically contaminated canned tomatoes by dynamic headspace extraction followed by gas chromatography-mass spectrometry analysis.

    Science.gov (United States)

    Bianchi, F; Careri, M; Mangia, A; Mattarozzi, M; Musci, M; Concina, I; Falasconi, M; Gobbi, E; Pardo, M; Sberveglieri, G

    2009-01-15

    The aromatic profile of microbiologically contaminated canned tomatoes was analyzed by the dynamic headspace extraction technique coupled with gas chromatography-mass spectrometry. Canned tomatoes contaminated with Escherichia coli, Saccharomyces cerevisiae and Aspergillus carbonarius were analyzed after 2 and 7 days. About 100 volatiles were detected, among which alcohols, aldehydes and ketones were the most abundant compounds. Gas chromatographic peak areas were used for statistical purposes. First, principal component analysis was carried out in order to visualize data trends and clusters. Then, linear discriminant analysis was performed in order to detect the set of volatile compounds ables to differentiate groups of analyzed samples. Five volatile compounds, i.e. ethanol, beta-myrcene, o-methyl styrene, 6-methyl-5-hepten-2-ol and 1-octanol, were found to be able to better discriminate between uncontaminated and contaminated samples. Prediction ability of the calculated model was estimated to be 100% by the "leave-one-out" cross-validation. An electronic nose device was then used to analyze the same contaminated and not contaminated canned tomato samples. Preliminary results were compared with those obtained by dynamic headspace gas chromatography-mass spectrometry, showing a good agreement.

  12. Measurements of the transport efficiency of the fragment mass analyzer

    Energy Technology Data Exchange (ETDEWEB)

    Back, B.B.; Blumenthal, D.J.; Davids, C.N. [and others

    1995-08-01

    Extensive calculations of the transport of reaction products were carried out during the design phase of the instrument using the computer code GIOS. These show that the energy acceptance depends strongly on the angular deviation from the optical axis of the instrument. In order to reliably measure cross sections using this instrument it is therefore necessary to verify these calculations empirically.

  13. Analysis of volatile oil in Rhizoma Ligustici Chuanxiong-Radix Paeoniae Rubra by gas chromatography-mass spectrometry and chemometric resolution

    Institute of Scientific and Technical Information of China (English)

    Xiao-ru LI; Yi-zeng LIANG; Fang-qiu GUO

    2006-01-01

    Aim:To analyze the volatile chemical components of the herbal pair Rhizoma Ligustici Chuanxiong-Radix Paeoniae Rubra (RLC-RPR) and compare them with those of each of the herbs alone.Methods:Gas chromatography-mass spectrometry (GC-MS) ,a chemometric resolution technique using the heuristic evolving latent projections (HELP) method.and the overall volume integration method were used.Results:In total,52,38,and 61 volatile chemical components in RLC,RPR,and RLC-RPR essential oils were determined,respectively,accounting for 95.14%,95.19%,and 89.68%ofthe total contents ofessential oil ofRLC,RPR,and RLC-RPR,respectively.The majn volatile chemical components were butyldienephthalide (20.65%) and ligustilide (50.15%) for RLC;and n-hexadecanoic acid (20.18%) ,[Z,Z]9,12-octadecadienoic acid (30.11%) ,2-hydroxy-benzaldehyde (17.08%) for RPR,and butyldienephthalide (14.80%) ,and ligustilide (38.91%) for RLC-RPR.The main volatile chemical components of RLC-RPR were almost the same as those of RLC,but the relative amounts were altered.Conclusion:The number of volatile chemical components in RLC-RPR was almost equal to the sum of the number in the 2 constituent herbs.but the relative amounts were altered.Furthermore,an acid-base reaction takes place during the process of decocting the herbs.The data gathered in this study may be helpful for understanding the synergistic nature of this herb pair in traditional Chinese medicine.

  14. Direct thermal desorption in the analysis of cheese volatiles by gas chromatography and gas chromatography-mass spectrometry: comparison with simultaneous distillation-extraction and dynamic headspace.

    Science.gov (United States)

    Valero, E; Sanz, J; Martínez-Castro, I

    2001-06-01

    Direct thermal desorption (DTD) has been used as a technique for extracting volatile components of cheese as a preliminary step to their gas chromatographic (GC) analysis. In this study, it is applied to different cheese varieties: Camembert, blue, Chaumes, and La Serena. Volatiles are also extracted using other techniques such as simultaneous distillation-extraction and dynamic headspace. Separation and identification of the cheese components are carried out by GC-mass spectrometry. Approximately 100 compounds are detected in the examined cheeses. The described results show that DTD is fast, simple, and easy to automate; requires only a small amount of sample (approximately 50 mg); and affords quantitative information about the main groups of compounds present in cheeses.

  15. Volatile release from aqueous solutions under dynamic headspace dilution conditions.

    Science.gov (United States)

    Marin, M; Baek, I; Taylor, A J

    1999-11-01

    Static equilibrium was established between the gas phase (headspace) and an unstirred aqueous phase in a sealed vessel. The headspace was then diluted with air to mimic the situation when a container of food is opened and the volatiles are diluted by the surrounding air. Because this first volatile signal can influence overall flavor perception, the parameters controlling volatile release under these conditions are of interest. A mechanistic model was developed and validated experimentally. Release of compounds depended on the air-water partition coefficient (K(aw)) and the mass transport in both phases. For compounds with K(aw) values 10(-)(3), mass transport in the gas phase became significant and the Reynolds number played a role. Because release from packaged foods occurs at low Reynolds numbers, whereas most experiments are conducted at medium to high Reynolds numbers, the experimentally defined profile may not reflect the real situation.

  16. Direct analysis of volatile fatty acids in marine sediment porewater by two-dimensional ion chromatography-mass spectrometry

    DEFF Research Database (Denmark)

    Glombitza, Clemens; Pedersen, Jeanette; Røy, Hans

    2014-01-01

    Volatile fatty acids (VFAs) are key intermediates in the microbial food web. However, the analysis of low concentrations of VFAs in marine porewater is hampered by interference from high concentrations of inorganic ions. Published methods often use sample pretreatment, including distillation or d...

  17. SITE-94. CAMEO: A model of mass-transport limited general corrosion of copper canisters

    Energy Technology Data Exchange (ETDEWEB)

    Worgan, K.J.; Apted, M.J. [QuantiSci Inc., Denver, CO (United States)

    1996-12-01

    This report describes the technical basis for the CAMEO code, which models the general, uniform corrosion of a copper canister either by transport of corrodants to the canister, or by transport of corrosion products away from the canister. According to the current Swedish concept for final disposal of spent nuclear fuels, extremely long containment times are achieved by thick (60-100 mm) copper canisters. Each canister is surrounded by a compacted bentonite buffer, located in a saturated, crystalline rock at a depth of around 500 m below ground level. Three diffusive transport-limited cases are identified for general, uniform corrosion of copper: General corrosion rate-limited by diffusive mass-transport of sulphide to the canister surface under reducing conditions; General corrosion rate-limited by diffusive mass-transport of oxygen to the canister surface under mildly oxidizing conditions; General corrosion rate-limited by diffusive mass-transport of copper chloride away from the canister surface under highly oxidizing conditions. The CAMEO code includes general corrosion models for each of the above three processes. CAMEO is based on the well-tested CALIBRE code previously developed as a finite-difference, mass-transfer analysis code for the SKI to evaluate long-term radionuclide release and transport in the near-field. A series of scoping calculations for the general, uniform corrosion of a reference copper canister are presented. 28 refs, 5 tabs, 6 figs.

  18. Activity-Based Costing Application in an Urban Mass Transport Company

    Directory of Open Access Journals (Sweden)

    Popesko Boris

    2011-12-01

    Full Text Available The purpose of this paper is to provide a basic overview of the application of Activity-Based Costing in an urban mass transport company which operates land public transport via buses and trolleys within the city. The case study was conducted using the Activity-Based Methodology in order to calculate the true cost of individual operations and to measure the profitability of particular transport lines. The case study analysis showed the possible effects of the application of the Activity-Based Costing for an urban mass transport company as well as the limitations of using the ABC methodology in the service industry. With regards to the application of the ABC methodology, the primary limitation of the accuracy of the conclusions is the quality of the non-financial information which had to be gathered throughout the implementation process. A basic limitation of the accurate data acquisition is the nature of the fare system of the transport company which does not allow the identification of the route that is taken by an individual passenger. The study illustrates the technique of ABC in urban mass transport and provides a real company example of information outputs of the ABC system. The users indicated that, the ABC model is very useful for profitability reporting and profit management. Also, the paper shows specific application of the Activity-Based Methodology in conditions of urban mass transport companies with regional specifics.

  19. The urban atmosphere as a non-point source for the transport of MTBE and other volatile organic compounds (VOCS) to shallow groundwater

    Science.gov (United States)

    Pankow, J.F.; Thomson, N.R.; Johnson, R.L.; Baehr, A.L.; Zogorski, J.S.

    1997-01-01

    Infiltration and dispersion (including molecular diffusion) can transport volatile organic compounds (VOCs) from urban air into shallow groundwater. The gasoline additive methyl-tert-butyl ether (MTBE) is of special interest because of its (1) current levels in some urban air, (2) strong partitioning from air into water, (3) resistance to degradation, (4) use as an octane-booster since the 1970s, (5) rapidly increasing use in the 1990s to reduce CO and O3 in urban air, and (6) its frequent detection rat lOW microgram per liter levels in shallow urban groundwater in Denver, New England, and elsewhere. Numerical simulations were conducted using a l-D model domain set in medium sand (depth to water table = 5 m) to provide a test of whether MTBE and other atmospheric VOCs could move to shallow groundwater within the 10-15 y time frame over which MTBE has now been used in large amounts. Degradation and sorption were assumed negligible. In case 1 (no infiltration, steady atmospheric source), 10 y was not long enough to permit significant VOC movement by diffusion into shallow groundwater. Case 2 considered a steady atmospheric source plus 36 cm/y of net infiltration; groundwater at 2 m below the water table became nearly saturated with atmospheric levels of VOC within 5 y. Case 3 was similar to case 2, but considered the source to be seasonal being 'on' for only 5 of 12 months each year, as with the use of MTBE during the winter fuel-oxygenate season; groundwater at 2 m below the water table became equilibrated with 5/12 of the 'source-on' concentration within 5 y. Cases 4 and 5 added an evapotranspiration (ET) loss of 36 cm/y, resulting in no net recharge. Case 4 took the ET from the surface, and case 5 took the ET from the capillary fringe at a depth of 3.5 m. Net VOC mass transfer to shallow groundwater after 5 y was less for both cases 4 and 5 than for case 3. However, it was significantly greater for cases 4 and 5 than for case 1, even though cases 1, 4, add 5 were

  20. Systematic characterization of porosity and mass transport and mechanical properties of porous polyurethane scaffolds.

    Science.gov (United States)

    Wang, Yu-Fu; Barrera, Carlos M; Dauer, Edward A; Gu, Weiyong; Andreopoulos, Fotios; Huang, C-Y Charles

    2017-01-01

    One of the key challenges in porous scaffold design is to create a porous structure with desired mechanical function and mass transport properties which support delivery of biofactors and development of function tissue substitute. In recent years, polyurethane (PU) has become one of the most popular biomaterials in various tissue engineering fields. However, there are no studies fully investigating the relations between porosity and both mass transport and mechanical properties of PU porous scaffolds. In this paper, we fabricated PU scaffolds by combining phase inversion and salt (sodium chloride) leaching methods. The tensile and compressive moduli were examined on PU scaffolds fabricated with different PU concentrations (25%, 20% and 15% w/v) and salt/PU weight ratios (9/1, 6/1, 3/1 and 0/1). The mass transport properties of PU scaffolds including hydraulic permeability and glucose diffusivity were also measured. Furthermore, the relationships between the porosity and mass transport and mechanical properties of porous PU scaffold were systemically investigated. The results demonstrated that porosity is a key parameter which governs both mass transport and mechanical properties of porous PU scaffolds. With similar pore sizes, the mass transport and mechanical properties of porous PU scaffold can be described as single functions of porosity regardless of initial PU concentration. The relationships between scaffold porosity and properties can be utilized to facilitate porous PU scaffold fabrication with specific mass transport and mechanical properties. The systematic approach established in this study can be applied to characterization of other biomaterials for scaffold design and fabrication.

  1. Separation and analysis of trace volatile formaldehyde in aquatic products by a MoO₃/polypyrrole intercalative sampling adsorbent with thermal desorption gas chromatography and mass spectrometry.

    Science.gov (United States)

    Ma, Yunjian; Zhao, Cheng; Zhan, Yisen; Li, Jianbin; Zhang, Zhuomin; Li, Gongke

    2015-05-01

    An in situ embedded synthesis strategy was developed for the preparation of a MoO3 /polypyrrole intercalative sampling adsorbent for the separation and analysis of trace volatile formaldehyde in aquatic products. Structural and morphological characteristics of the MoO3 /polypyrrole intercalative adsorbent were investigated by a series of characterization methods. The MoO3 /polypyrrole sampling adsorbent possessed a higher sampling capacity and selectivity for polar formaldehyde than commonly used commercial adsorbent Tenax TA. Finally, the MoO3 /polypyrrole adsorbent was packed in the thermal desorption tube that was directly coupled to gas chromatography with mass spectrometry for the analysis of trace volatile formaldehyde in aquatic products. Trace volatile formaldehyde from real aquatic products could be selectively sampled and quantified to be 0.43-6.6 mg/kg. The detection limit was achieved as 0.004 μg/L by this method. Good recoveries for spiked aquatic products were achieved in range of 75.0-108% with relative standard deviations of 1.2-9.0%. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  2. Volatile composition in raspberry cultivars grown in the Pacific Northwest determined by stir bar sorptive extraction-gas chromatography-mass spectrometry.

    Science.gov (United States)

    Malowicki, Sarah M M; Martin, Robert; Qian, Michael C

    2008-06-11

    Twenty-nine volatile compounds in 'Chilliwack', 'Tulameen', 'Willamette', 'Yellow Meeker', and 'Meeker' raspberries were quantified using stir bar sorptive extraction (SBSE) paired with gas chromatography-mass spectrometry (GC-MS). Good correlation coefficients were obtained with most aroma-active compounds in raspberry, with quantification limits of 1 microg/kg. However, poor recoveries were observed for raspberry ketone and zingerone. Quantitative data showed that volatile concentrations varied for different cultivars. Large variations for alpha-ionone, beta-ionone, geraniol, linalool, and ( Z)-3-hexenol were observed in different raspberry cultivars. In addition, the volatile compositions in 'Meeker' raspberry grown at different locations also varied. The chiral isomeric ratios of raspberry ketone, alpha-ionone, alpha-pinene, linalool, terpinen-4-ol, delta-octalactone, delta-decalactone, and 6-methyl-5-hepten-2-ol were studied using a CyclosilB column. alpha-Ionone, alpha-pinene, delta-octalactone, and delta-decalactone had strong chiral isomeric preference, with more than 96% for one isomeric form. Much weaker chiral isomeric preference was observed for terpinen-4-ol, while linalool was almost a racemic mixture. Both growing locations and cultivars affect the isomeric ratio of linalool with a range of 37-51% for ( R)-linalool.

  3. Comparison of volatile constituents extracted from model grape juice and model wine by stir bar sorptive extraction-gas chromatography-mass spectrometry.

    Science.gov (United States)

    Caven-Quantrill, Darren J; Buglass, Alan J

    2011-02-18

    A stir bar sorptive extraction (SBSE) method coupled with gas chromatography-mass spectrometry was optimised for the analysis of volatile components of a model wine, based on a previously optimised method used for analysis of the same components in model grape juice. The presence of ethanol in the model wine sample matrix resulted in decreased sensitivity of the method toward most of the volatile constituents. Mean percent relative recoveries and reproducibilities (%CV) were 22.8% and 7.1%, respectively, compared with 28.4% and 8.5% for model grape juice. The mean limit of detection (LoD) ratio (juice:wine) was 0.25. Similar sensitivities for the two sample matrices using this method were achieved by changing the split ratio from 20:1 (grape juice) to 5:1 (wine), giving a mean limit of detection ratio (juice:wine) of 1.0, thus allowing direct comparison of chromatograms of volatile components in the two matrices. This enabled direct comparisons of grape juices and the wines derived from them by alcoholic yeast fermentation. The influence of ethanol concentration in the range 9-15% on method sensitivity is discussed, using an overlay of the total ion chromatograms. The use of a gas saver device for the 5:1 split ratio analysis of desorbed model wine aroma compounds is discussed in terms of preventing extraneous reaction of sorbent and stationary phases with air during analysis. Copyright © 2011 Elsevier B.V. All rights reserved.

  4. Amorphous Photonic Lattices: Band Gaps, Effective Mass and Suppressed Transport

    CERN Document Server

    Rechtsman, Mikael; Dreisow, Felix; Heinrich, Matthias; Keil, Robert; Nolte, Stefan; Segev, Mordechai

    2010-01-01

    We present, theoretically and experimentally, amorphous photonic lattices exhibiting a band-gap yet completely lacking Bragg diffraction: 2D waveguides distributed randomly according to a liquid-like model responsible for the absence of Bragg peaks as opposed to ordered lattices containing disorder, which always exhibit Bragg peaks. In amorphous lattices the bands are comprised of localized states, but we find that defect states residing in the gap are more localized than the Anderson localization length. Finally, we show how the concept of effective mass carries over to amorphous lattices.

  5. Heat- and mass-transport in aqueous silica nanofluids

    Science.gov (United States)

    Turanov, A. N.; Tolmachev, Yuriy V.

    2009-10-01

    Using the transient hot wire and pulsed field gradient nuclear magnetic resonance methods we determined the thermal conductivity and the solvent self-diffusion coefficient (SDC) in aqueous suspensions of quasi-monodisperse spherical silica nanoparticles. The thermal conductivity was found to increase at higher volume fraction of nanoparticles in accordance with the effective medium theory albeit with a smaller slope. On the other hand, the SDC was found to decrease with nanoparticle volume fraction faster than predicted by the effective medium theory. These deviations can be explained by the presence of an interfacial heat-transfer resistance and water retention by the nanoparticles, respectively. We found no evidence for anomalous enhancement in the transport properties of nanofluids reported earlier by other groups.

  6. Determination of volatile compounds in Magnolia bark by microwave-assisted extraction coupled to headspace solid-phase microextraction and gas chromatography-mass spectrometry.

    Science.gov (United States)

    Sha, Yun F; Huang, Tao M; Shen, Shun; Duan, Geng L

    2004-05-01

    A method is described for the determination of volatile compounds in Magnolia bark using microwave-assisted extraction coupled to headspace solid-phase microextraction (MAE-HS-SPME), followed by gas chromatography with mass spectrometry (GC-MS). Parameters affecting the extraction efficiency, such as sampling time and temperature, microwave irradiation power and desorption time, were investigated to achieve the optimal conditions. The result obtained was compared with that of steam distillation; only small differences existed between these two methods. Therefore, the proposed method seems to be a feasible and relatively simple, fast and solvent-free procedure for identification of essential oils in Magnolia bark.

  7. Volatile Profiles of Emissions from Different Activities Analyzed Using Canister Samplers and Gas Chromatography-Mass Spectrometry (GC/MS) Analysis: A Case Study

    Science.gov (United States)

    Orecchio, Santino; Fiore, Michele; Barreca, Salvatore; Vara, Gabriele

    2017-01-01

    The objective of present study was to identify volatile organic compounds (VOCs) emitted from several sources (fuels, traffic, landfills, coffee roasting, a street-food laboratory, building work, indoor use of incense and candles, a dental laboratory, etc.) located in Palermo (Italy) by using canister autosamplers and gas chromatography-mass spectrometry (GC-MS) technique. In this study, 181 VOCs were monitored. In the atmosphere of Palermo city, propane, butane, isopentane, methyl pentane, hexane, benzene, toluene, meta- and para-xylene, 1,2,4 trimethyl benzene, 1,3,5 trimethyl benzene, ethylbenzene, 4 ethyl toluene and heptane were identified and quantified in all sampling sites. PMID:28212294

  8. An air-mass trajectory study of the transport of radioactivity from Fukushima to Thessaloniki, Greece and Milan, Italy

    Science.gov (United States)

    Ioannidou, A.; Giannakaki, E.; Manolopoulou, M.; Stoulos, S.; Vagena, E.; Papastefanou, C.; Gini, L.; Manenti, S.; Groppi, F.

    2013-08-01

    Analyses of 131I, 137Cs and 134Cs in airborne aerosols were carried out in daily samples at two different sites of investigation: Thessaloniki, Greece (40° N) and Milan, Italy (45° N) after the Fukushima accident during the period of March-April, 2011. The radionuclide concentrations were determined and studied as a function of time. The 131I concentration in air over Milan and Thessaloniki peaked on April 3-4, 2011, with observed activities 467 μBq m-3 and 497 μBq m-3, respectively. The 134Cs/137Cs activity ratio values in air were around 1 in both regions, related to the burn-up history of the damaged nuclear fuel of the destroyed nuclear reactor. The high 131I/137Cs ratio, observed during the first days after the accident, followed by lower values during the following days, reflects not only the initial release ratio but also the different volatility, attachment and removal of the two isotopes during transportation due to their different physico-chemical properties. No artificial radionuclides could be detected in air after April 28, 2011 in both regions of investigation. The different maxima of airborne 131I and 134,137Cs in these two regions were related to long-range air mass transport from Japan, across the Pacific and to Central Europe. Analysis of backward trajectories was used to confirm the arrival of artificial radionuclides following atmospheric transport and processing. HYSPLIT backward trajectories were applied for the interpretation of activity variations of measured radionuclides.

  9. The mass estimation of volatile emission during 1199-1200 AD eruption of Baitoushan volcano and its significance

    Institute of Scientific and Technical Information of China (English)

    GUO; Zhengfu(郭正府); LIU; Jiaqi(刘嘉麒); SUI; Shuzhen(隋淑珍); LIU; Qiang(刘强); HE; Huaiyu(贺怀宇); NI; Yunyan(倪云燕)

    2002-01-01

    On the basis of the study of volcanic products during 1199-1200AD eruption of Baitou Mountain (Baitoushan), the released volatile content was estimated by comparing Cl, F, S, H2O concentrations of undegassed glass inclusions with those of degassed matrix glasses. The calculations show that volatile yields, released from the melt, are 109.88×106 ton of HCl, 196.80×106 ton of HF, 1477.84×106 ton of H2O, 23.14×106 ton of SO2, which could have formed 35.43×106 ton of H2SO4 aerosol in the atmosphere. They could have substantial effect on paleoclimate and paleo-environment.

  10. Determination of volatile aroma compounds of Ganoderma lucidum by gas chromatography mass spectrometry (HS-GC/MS).

    Science.gov (United States)

    Taşkın, Hatıra; Kafkas, Ebru; Çakıroğlu, Özgün; Büyükalaca, Saadet

    2013-01-01

    This study was conducted at Horticulture Department of Cukurova University, Adana, Turkey during 2010-2011. Fresh sample of Ganoderma lucidum collected from Mersin province of Turkey was used as material. Volatile aroma compounds were performed by Headspace Gas Chromatography (HS-GC/MS). Alcohols, aldehydes, acids, phenol, L-Alanine, d-Alanine, 3Methyl, 2-Butanamine, 2-Propanamine were determined. 1-Octen-3-ol (Alcohol) and 3-methyl butanal (Aldehyde) were identified as major aroma compounds.

  11. Temporal variability of mass transport across Canary Islands Channels

    Science.gov (United States)

    Marrero-Díaz, Ángeles; Rodríguez-Santana, Ángel; José Machín, Francisco; García-Weil, Luis; Sangrà, Pablo; Vélez-Belchí, Pedro; Fraile-Nuez, Eugenio

    2014-05-01

    The equatorward flowing Canary Current (CC) is the main feature of the circulation in the Canary Islands region. The CC flow perturbation by the Canary Islands originate the Canary Eddy Corridor which is the major pathway for long lived eddies in the subtropical North Atlantic (Sangrà et al., 2009, DSR). Therefore the variability of the CC passing through the Canary Archipelago will have both local and regional importance. Past studies on the CC variability trough the Canary Islands point out a clearly seasonal variability (Fraile-Nuez et al, 2010 (JGR); Hernández-Guerra et al, 2002 (DSR)). However those studies where focused on the eastern islands channels missing the variability through the western island channels which are the main source of long lived eddies. In order to fill this gap from November 2012 until September 2013 we conducted trimonthly surveys crossing the whole islands channels using opportunity ships (Naviera Armas Ferries). XBT and XCTD where launched along the cross channels transects. Additionally a closed box circling the Archipelago was performed on October 2013 as part of the cruise RAPROCAN-2013 (IEO) using also XBT and XCTD. Dynamical variables where derived inferring salinity from S(T,p) analytical relationships for the region updated with new XCTD data. High resolution, vertical sections of temperature, potential density, geostrophic velocity and transport where obtained. Our preliminary results suggest that the CC suffer a noticeable acceleration in those islands channels where eddy shedding is more frequent. They also indicate a clearly seasonal variability of the flows passing the islands channels. With this regard we observed significant differences on the obtained seasonal variability with respect the cited past studies on the eastern islands channel (Lanzarote / Fuerteventura - Africa coast). This work was co-funded by Canary Government (TRAMIC project: PROID20100092) and the European Union (FEDER).

  12. Volatility Discovery

    DEFF Research Database (Denmark)

    Dias, Gustavo Fruet; Scherrer, Cristina; Papailias, Fotis

    The price discovery literature investigates how homogenous securities traded on different markets incorporate information into prices. We take this literature one step further and investigate how these markets contribute to stochastic volatility (volatility discovery). We formally show...... that the realized measures from homogenous securities share a fractional stochastic trend, which is a combination of the price and volatility discovery measures. Furthermore, we show that volatility discovery is associated with the way that market participants process information arrival (market sensitivity...

  13. Mass Transport in a Thin Layer of Bi-Viscous Mud Under Surface Waves

    Institute of Scientific and Technical Information of China (English)

    NG Chiu-on; FU Sau-chung; BAI Yu-chuan(白玉川)

    2002-01-01

    The mass transport in a thin layer of non-Newtonian bed mud under surface waves is examined with a two-fluidStokes boundary layer model. The mud is assumed to be a bi-viscous fluid, which tends to resist motion for small-appliedstresses, but flows readily when the yield stress is exceeded. Asymptotic expansions suitable for shallow fluid layers areapplied, and the second-order solutions for the mass transport induced by surface progressive waves are obtained numeri-cally. It is found that the stronger the non-Newtonian behavior of the mud, the more pronounced intermittency of theflow. Consequently, the mass transport velocity is diminished in magnitude, and can even become negative (i. e., oppo-site to wave propagation) for a certain range of yield stress.

  14. Convective instability and mass transport of diffusion layers in a Hele-Shaw geometry

    CERN Document Server

    Backhaus, Scott; Ecke, R E

    2010-01-01

    We consider experimentally the instability and mass transport of a porous-medium flow in a Hele-Shaw geometry. In an initially stable configuration, a lighter fluid (water) is located over a heavier fluid (propylene glycol). The fluids mix via diffusion with some regions of the resulting mixture being heavier than either pure fluid. Density-driven convection occurs with downward penetrating dense fingers that transport mass much more effectively than diffusion alone. We investigate the initial instability and the quasi steady state. The convective time and velocity scales, finger width, wave number selection, and normalized mass transport are determined for 6,000

  15. Recent Developments in Graphene-Based Membranes: Structure, Mass-Transport Mechanism and Potential Applications.

    Science.gov (United States)

    Sun, Pengzhan; Wang, Kunlin; Zhu, Hongwei

    2016-03-23

    Significant achievements have been made on the development of next-generation filtration and separation membranes using graphene materials, as graphene-based membranes can afford numerous novel mass-transport properties that are not possible in state-of-art commercial membranes, making them promising in areas such as membrane separation, water desalination, proton conductors, energy storage and conversion, etc. The latest developments on understanding mass transport through graphene-based membranes, including perfect graphene lattice, nanoporous graphene and graphene oxide membranes are reviewed here in relation to their potential applications. A summary and outlook is further provided on the opportunities and challenges in this arising field. The aspects discussed may enable researchers to better understand the mass-transport mechanism and to optimize the synthesis of graphene-based membranes toward large-scale production for a wide range of applications.

  16. A development of multi-Species mass transport model considering thermodynamic phase equilibrium

    DEFF Research Database (Denmark)

    Hosokawa, Yoshifumi; Yamada, Kazuo; Johannesson, Björn

    2008-01-01

    In this paper, a multi-species mass transport model, which can predict time dependent variation of pore solution and solid-phase composition due to the mass transport into the hardened cement paste, has been developed. Since most of the multi-species models established previously, based...... by the penetration of mineral salts during marine seawater exposure conditions. Those phenomena in concrete can be predicted using the coupled multi-species mass transport model and the thermodynamic equilibrium model described in this paper....... on the Poisson-Nernst-Planck theory, did not involve the modeling of chemical process, it has been coupled to thermodynamic equilibrium model in this study. By the coupling of thermodynamic equilibrium model, the multi-species model could simulate many different behaviours in hardened cement paste such as: (i...

  17. On the use of mass-conserving wind fields in chemistry-transport models

    Directory of Open Access Journals (Sweden)

    B. Bregman

    2003-01-01

    Full Text Available A new method has been developed that provides mass-conserving wind fields for global chemistry-transport models. In previous global Eulerian modeling studies a mass-imbalance was found between the model mass transport and the surface pressure tendencies. Several methods have been suggested to correct for this imbalance, but so far no satisfactory solution has been found. Our new method solves these problems by using the wind fields in a spherical harmonical form (divergence and vorticity by mimicing the physics of the weather forecast model as closely as possible. A 3-D chemistry-transport model was used to show that the calculated ozone fields with the new processing method agree remarkably better with ozone observations in the upper troposphere and lower stratosphere. In addition, the calculated age of air in the lower stratosphere show better agreement with observations, although the air remains still too young in the extra-tropical stratosphere.

  18. Mass transport in a thin layer of power-law mud under surface waves

    Science.gov (United States)

    Liu, Jie; Bai, Yuchuan; Xu, Dong

    2017-02-01

    The mass transport velocity in a two-layer system is studied theoretically. The wave motion is driven by a periodic pressure load on the free water surface, and mud in the lower layer is described by a power-law rheological model. Perturbation analysis is performed to the second order to find the mean Eulerian velocity. A numerical iteration method is employed to solve the non-linear governing equation at the leading order. The influence of rheological properties on fluid motion characteristics including the flow field, the surface displacement, the mass transport velocity, and the net discharge rates are investigated based on theoretical results. Theoretical analysis shows that under the action of interfacial shearing, a recirculation structure may appear near the interface in the upper water layer. A higher mass transport velocity at the interface does not necessarily mean a higher discharge rate for a pseudo-plastic fluid mud.

  19. Single-Molecule Investigations of Morphology and Mass Transport Dynamics in Nanostructured Materials

    Science.gov (United States)

    Higgins, Daniel A.; Park, Seok Chan; Tran-Ba, Khanh-Hoa; Ito, Takashi

    2015-07-01

    Nanostructured materials such as mesoporous metal oxides and phase-separated block copolymers form the basis for new monolith, membrane, and thin film technologies having applications in energy storage, chemical catalysis, and separations. Mass transport plays an integral role in governing the application-specific performance characteristics of many such materials. The majority of methods employed in their characterization provide only ensemble data, often masking the nanoscale, molecular-level details of materials morphology and mass transport. Single-molecule fluorescence methods offer direct routes to probing these characteristics on a single-molecule/single-nanostructure basis. This article provides a review of single-molecule studies focused on measurements of anisotropic diffusion, adsorption, partitioning, and confinement in nanostructured materials. Experimental methods covered include confocal and wide-field fluorescence microscopy. The results obtained promise to deepen our understanding of mass transport mechanisms in nanostructures, thus aiding in the realization of advanced materials systems.

  20. Volatile Metabolites

    Directory of Open Access Journals (Sweden)

    Daryl D. Rowan

    2011-11-01

    Full Text Available Volatile organic compounds (volatiles comprise a chemically diverse class of low molecular weight organic compounds having an appreciable vapor pressure under ambient conditions. Volatiles produced by plants attract pollinators and seed dispersers, and provide defense against pests and pathogens. For insects, volatiles may act as pheromones directing social behavior or as cues for finding hosts or prey. For humans, volatiles are important as flavorants and as possible disease biomarkers. The marine environment is also a major source of halogenated and sulfur-containing volatiles which participate in the global cycling of these elements. While volatile analysis commonly measures a rather restricted set of analytes, the diverse and extreme physical properties of volatiles provide unique analytical challenges. Volatiles constitute only a small proportion of the total number of metabolites produced by living organisms, however, because of their roles as signaling molecules (semiochemicals both within and between organisms, accurately measuring and determining the roles of these compounds is crucial to an integrated understanding of living systems. This review summarizes recent developments in volatile research from a metabolomics perspective with a focus on the role of recent technical innovation in developing new areas of volatile research and expanding the range of ecological interactions which may be mediated by volatile organic metabolites.

  1. Determination of volatile components in fresh, frozen, and freeze-dried Padrón-type peppers by gas chromatography-mass spectrometry using dynamic headspace sampling and microwave desorption.

    Science.gov (United States)

    Oruña-Concha, M J; López-Hernández, J; Simal-Lozano, J A; Simal-Gándara, J; González-Castro, M J; de la Cruz García, C

    1998-12-01

    "Padrón-type" peppers are a small variety of Capsicum annuum cultivated mainly in Galicia, Spain. To compare the effects of freezing and freeze-drying on the volatile components of Padrón-type peppers, preserved samples are analyzed by means of dynamic headspace sampling on an adsorbent followed by microwave desorption into a gas chromatograph equipped with a mass spectrometric detector. Sixty-five compounds are identified, including hydrocarbons, terpenes, alcohols, phenols, ethers, aldehydes, ketones, esters, pyrroles, pyrazines, and sulfurous compounds. Fresh whole, homogenized, and freeze-dried peppers have characteristic volatile-component profiles, whereas frozen peppers have a highly variable volatile-component profile.

  2. Identification of volatiles from pineapple (Ananas comosus L.) pulp by comprehensive two-dimensional gas chromatography and gas chromatography/mass spectrometry.

    Science.gov (United States)

    Pedroso, Marcio P; Ferreira, Ernesto C; Hantao, Leandro W; Bogusz, Stanislau; Augusto, Fabio

    2011-07-01

    Combining qualitative data from the chromatographic structure of 2-D gas chromatography with flame ionization detection (GC×GC-FID) and that from gas chromatography-mass spectrometry (GC/MS) should result in a more accurate assignment of the peak identities than the simple analysis by GC/MS, where coelution of analytes is unavoidable in highly complex samples (rendering spectra unsuitable for qualitative purposes) or for compounds in very low concentrations. Using data from GC×GC-FID combined with GC/MS can reveal coelutions that were not detected by mass spectra deconvolution software. In addition, some compounds can be identified according to the structure of the GC×GC-FID chromatogram. In this article, the volatile fractions of fresh and dehydrated pineapple pulp were evaluated. The extraction of the volatiles was performed by dynamic headspace extraction coupled to solid-phase microextraction (DHS-SPME), a technique appropriate for slurries or solid matrices. Extracted analytes were then analyzed by GC×GC-FID and GC/MS. The results obtained using both techniques were combined to improve compound identifications.

  3. Intra-tumoral heterogeneity of gemcitabine delivery and mass transport in human pancreatic cancer

    Science.gov (United States)

    Koay, Eugene J.; Baio, Flavio E.; Ondari, Alexander; Truty, Mark J.; Cristini, Vittorio; Thomas, Ryan M.; Chen, Rong; Chatterjee, Deyali; Kang, Ya'an; Zhang, Joy; Court, Laurence; Bhosale, Priya R.; Tamm, Eric P.; Qayyum, Aliya; Crane, Christopher H.; Javle, Milind; Katz, Matthew H.; Gottumukkala, Vijaya N.; Rozner, Marc A.; Shen, Haifa; Lee, Jeffrey E.; Wang, Huamin; Chen, Yuling; Plunkett, William; Abbruzzese, James L.; Wolff, Robert A.; Maitra, Anirban; Ferrari, Mauro; Varadhachary, Gauri R.; Fleming, Jason B.

    2014-12-01

    There is substantial heterogeneity in the clinical behavior of pancreatic cancer and in its response to therapy. Some of this variation may be due to differences in delivery of cytotoxic therapies between patients and within individual tumors. Indeed, in 12 patients with resectable pancreatic cancer, we previously demonstrated wide inter-patient variability in the delivery of gemcitabine as well as in the mass transport properties of tumors as measured by computed tomography (CT) scans. However, the variability of drug delivery and transport properties within pancreatic tumors is currently unknown. Here, we analyzed regional measurements of gemcitabine DNA incorporation in the tumors of the same 12 patients to understand the degree of intra-tumoral heterogeneity of drug delivery. We also developed a volumetric segmentation approach to measure mass transport properties from the CT scans of these patients and tested inter-observer agreement with this new methodology. Our results demonstrate significant heterogeneity of gemcitabine delivery within individual pancreatic tumors and across the patient cohort, with gemcitabine DNA incorporation in the inner portion of the tumors ranging from 38 to 74% of the total. Similarly, the CT-derived mass transport properties of the tumors had a high degree of heterogeneity, ranging from minimal difference to almost 200% difference between inner and outer portions of the tumor. Our quantitative method to derive transport properties from CT scans demonstrated less than 5% difference in gemcitabine prediction at the average CT-derived transport value across observers. These data illustrate significant inter-patient and intra-tumoral heterogeneity in the delivery of gemcitabine, and highlight how this variability can be reproducibly accounted for using principles of mass transport. With further validation as a biophysical marker, transport properties of tumors may be useful in patient selection for therapy and prediction of

  4. Thermo-fluidic devices and materials inspired from mass and energy transport phenomena in biological system

    Institute of Scientific and Technical Information of China (English)

    Jian XIAO; Jing LIU

    2009-01-01

    Mass and energy transport consists of one of the most significant physiological processes in nature, which guarantees many amazing biological phenomena and activ-ities. Borrowing such idea, many state-of-the-art thermo-fluidic devices and materials such as artificial kidneys, carrier erythrocyte, blood substitutes and so on have been successfully invented. Besides, new emerging technologies are still being developed. This paper is dedicated to present-ing a relatively complete review of the typical devices and materials in clinical use inspired by biological mass and energy transport mechanisms. Particularly, these artificial thermo-fluidic devices and materials will be categorized into organ transplantation, drug delivery, nutrient transport, micro operation, and power supply. Potential approaches for innovating conventional technologies were discussed, corresponding biological phenomena and physical mechan-isms were interpreted, future promising mass-and-energy-transport-based bionic devices were suggested, and prospects along this direction were pointed out. It is expected that many artificial devices based on biological mass and energy transport principle will appear to better improve vari-ous fields related to human life in the near future.

  5. The Significance of Gas-Phase Mass Transport in Assessment of kchem and Dchem

    DEFF Research Database (Denmark)

    Lohne, Ørjan Fossmark; Søgaard, Martin; Wiik, Kjell

    2013-01-01

    In this work, the validity of electrical conductivity relaxation (ECR) as a method for the assessment of chemical surface exchange, kchem, and bulk diffusion, Dchem, coefficients is investigated with respect to mass transport limitations in the gas phase. A model encompassing both the oxygen...... is evident and modeled apparent activation energies for kchem are shown to decrease significantly. A criteria for the validity of Dchem is introduced while no such measure could be introduced for kchem. The effect of experimental parameters and material properties on mass transport limitations are presented...

  6. Ozone-surface interactions: Investigations of mechanisms, kinetics, mass transport, and implications for indoor air quality

    Energy Technology Data Exchange (ETDEWEB)

    Morrison, Glenn Charles [Univ. of California, Berkeley, CA (United States)

    1999-12-01

    In this dissertation, results are presented of laboratory investigations and mathematical modeling efforts designed to better understand the interactions of ozone with surfaces. In the laboratory, carpet and duct materials were exposed to ozone and measured ozone uptake kinetics and the ozone induced emissions of volatile organic compounds. To understand the results of the experiments, mathematical methods were developed to describe dynamic indoor aldehyde concentrations, mass transport of reactive species to smooth surfaces, the equivalent reaction probability of whole carpet due to the surface reactivity of fibers and carpet backing, and ozone aging of surfaces. Carpets, separated carpet fibers, and separated carpet backing all tended to release aldehydes when exposed to ozone. Secondary emissions were mostly n-nonanal and several other smaller aldehydes. The pattern of emissions suggested that vegetable oils may be precursors for these oxidized emissions. Several possible precursors and experiments in which linseed and tung oils were tested for their secondary emission potential were discussed. Dynamic emission rates of 2-nonenal from a residential carpet may indicate that intermediate species in the oxidation of conjugated olefins can significantly delay aldehyde emissions and act as reservoir for these compounds. The ozone induced emission rate of 2-nonenal, a very odorous compound, can result in odorous indoor concentrations for several years. Surface ozone reactivity is a key parameter in determining the flux of ozone to a surface, is parameterized by the reaction probability, which is simply the probability that an ozone molecule will be irreversibly consumed when it strikes a surface. In laboratory studies of two residential and two commercial carpets, the ozone reaction probability for carpet fibers, carpet backing and the equivalent reaction probability for whole carpet were determined. Typically reaction probability values for these materials were 10

  7. Ozone-surface interactions: Investigations of mechanisms, kinetics, mass transport, and implications for indoor air quality

    Energy Technology Data Exchange (ETDEWEB)

    Morrison, Glenn C.

    1999-12-01

    In this dissertation, results are presented of laboratory investigations and mathematical modeling efforts designed to better understand the interactions of ozone with surfaces. In the laboratory, carpet and duct materials were exposed to ozone and measured ozone uptake kinetics and the ozone induced emissions of volatile organic compounds. To understand the results of the experiments, mathematical methods were developed to describe dynamic indoor aldehyde concentrations, mass transport of reactive species to smooth surfaces, the equivalent reaction probability of whole carpet due to the surface reactivity of fibers and carpet backing, and ozone aging of surfaces. Carpets, separated carpet fibers, and separated carpet backing all tended to release aldehydes when exposed to ozone. Secondary emissions were mostly n-nonanal and several other smaller aldehydes. The pattern of emissions suggested that vegetable oils may be precursors for these oxidized emissions. Several possible precursors and experiments in which linseed and tung oils were tested for their secondary emission potential were discussed. Dynamic emission rates of 2-nonenal from a residential carpet may indicate that intermediate species in the oxidation of conjugated olefins can significantly delay aldehyde emissions and act as reservoir for these compounds. The ozone induced emission rate of 2-nonenal, a very odorous compound, can result in odorous indoor concentrations for several years. Surface ozone reactivity is a key parameter in determining the flux of ozone to a surface, is parameterized by the reaction probability, which is simply the probability that an ozone molecule will be irreversibly consumed when it strikes a surface. In laboratory studies of two residential and two commercial carpets, the ozone reaction probability for carpet fibers, carpet backing and the equivalent reaction probability for whole carpet were determined. Typically reaction probability values for these materials were 10

  8. Direct analysis of volatile fatty acids in marine sediment porewater by two-dimensional ion chromatography-mass spectrometry

    DEFF Research Database (Denmark)

    Glombitza, Clemens; Pedersen, Jeanette; Røy, Hans

    2014-01-01

    Volatile fatty acids (VFAs) are key intermediates in the microbial food web. However, the analysis of low concentrations of VFAs in marine porewater is hampered by interference from high concentrations of inorganic ions. Published methods often use sample pretreatment, including distillation...... or derivatization, to overcome this problem. This is not only labor intensive but also increases the risk of contamination. We have developed an analytical procedure that enables the direct quantification of several VFAs (formate, acetate, propionate, butyrate, valerate, pyruvate, and lactate) in marine porewater...

  9. Mass transport properties of Pu/DT mixtures from orbital free molecular dynamics simulations

    Energy Technology Data Exchange (ETDEWEB)

    Kress, Joel David [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Ticknor, Christopher [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Collins, Lee A. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2015-09-16

    Mass transport properties (shear viscosity and diffusion coefficients) for Pu/DT mixtures were calculated with Orbital Free Molecular Dynamics (OFMD). The results were fitted to simple functions of mass density (for ρ=10.4 to 62.4 g/cm3) and temperature (for T=100 up to 3,000 eV) for Pu/DT mixtures consisting of 100/0, 25/75, 50/50, and 75/25 by number.

  10. Regional-scale simulation of transport and transformations of semi-volatile polycyclic aromatic hydrocarbons (PAHs) in East Asia: diurnal variations investigation

    Science.gov (United States)

    Mu, Qing; Lammel, Gerhard; Cheng, Yafang

    2015-04-01

    Semi-volatile PAHs are major pollutants of urban air, mostly regionally transported and reaching remote environments[1]. Some semi-volatile PAHs are carcinogenic. About 22% of global PAHs emissions are in China. The transport and sinks (atmospheric reactions, deposition) of semi-volatile PAHs in East Asia are studied using a modified version of the Weather Research and Forecasting model coupled with chemistry (WRF/Chem [2]). For this purpose, PAHs' gas and particulate phase chemical reactions and dry and wet deposition processes are included. We use emissions of 2008 [3] which include technical combustion processes (coal, oil, gas, waste and biomass) and open fires and apply diurnal time functions as those of black carbon. The model was run for phenanthrene (3-ring PAH, p = 1.5×10-2 Pa at 298 K) and benzo(a)pyrene (5-ring PAH, p = 7×10-7 Pa) for July 2013 with hourly output and 27 km horizontal grid spacing. The comparison of model predicted phenanthrene concentrations with measurements at a rural site near Beijing (own data, unpublished) validates the model's ability to simulate diurnal variations of gaseous PAHs. The model's performance is better in simulating day time than night time gaseous PAHs. The concentrations of PAHs had experienced significant diurnal variations in rural and remote areas of China. Elevated concentration levels of 40-60 ng m-3 for phenanthrene and 1-10 ng m-3 for benzo(a)pyrene are predicted in Shanxi, Guizhou, the North China Plain, the Sichuan Basin and Chongqing metropolitan areas due to the high emission densities at those locations. References [1] Keyte, I.J., Harrison, R.M., and Lammel, G., 2013: Chemical reactivity and long-range transport potential of polycyclic aromatic hydrocarbons - a review, Chem. Soc. Rev., 42, 9333-9391. [2] Grell, G.A, Peckham, S.E, Schmitz, R, McKeen, S.A, Frost, G, Skamarock, W.C, and Eder, B., 2005: Fully coupled online chemistry within the WRF model, Atmos. Environ., 39, 6957-6975. [3] Shen, H. Z

  11. Effects of functional group mass variance on vibrational properties and thermal transport in graphene

    Science.gov (United States)

    Lindsay, L.; Kuang, Y.

    2017-03-01

    Intrinsic thermal resistivity critically depends on features of phonon dispersions dictated by harmonic interatomic forces and masses. Here we present the effects of functional group mass variance on vibrational properties and thermal conductivity (κ ) of functionalized graphene from first-principles calculations. We use graphane, a buckled graphene backbone with covalently bonded hydrogen atoms on both sides, as the base material and vary the mass of the hydrogen atoms to simulate the effect of mass variance from other functional groups. We find nonmonotonic behavior of κ with increasing mass of the functional group and an unusual crossover from acoustic-dominated to optic-dominated thermal transport behavior. We connect this crossover to changes in the phonon dispersion with varying mass which suppress acoustic phonon velocities, but also give unusually high velocity optic modes. Further, we show that out-of-plane acoustic vibrations contribute significantly more to thermal transport than in-plane acoustic modes despite breaking of a reflection-symmetry-based scattering selection rule responsible for their large contributions in graphene. This work demonstrates the potential for manipulation and engineering of thermal transport properties in two-dimensional materials toward targeted applications.

  12. Solid-phase microextraction and gas chromatography-mass spectrometry of volatile compounds from avocado puree after microwave processing.

    Science.gov (United States)

    López, Mercedes G; Guzmán, G R; Dorantes, A L

    2004-05-14

    Microwave processing offers an alternative to blanch fruits and vegetables, since the application of high temperature and short time often results in minimum damage. An experimental design was used to investigate the effect of microwave time, pH, and avocado leaves (independent variables) on avocado flavor (response) using solid-phase microextraction (SPME)-GC-MS. Among the fully characterized flavor volatiles, 19 compounds were derived from lipid oxidation and only 4 from the avocado leaves. The main components derived from lipids were aldehydes, ketones and alcohols. Terpenoids, estragole, and 2-hexenal [E] were volatiles derived from avocado leaves. When leaves were added to fresh and microwaved avocado terpenoids and 2-hexenal [E]/hexanal ratio increased, this behavior was considered to have a positive effect on the sensorial quality of the product. From the statistical analysis of the experimental design, it was possible to determinate that the most important factors influencing the abundance of flavor compounds derived from lipids were microwave time and pH. Maximum values of these compounds were detected at high levels of microwave time and low values of pH. On the other hand, response surface of terpenoids and estragole showed an increment when microwave time and avocado leaf was increased. The region of optimum response was 30 s microwave time, pH 5.5, and 1% of avocado leaf.

  13. The water mass structure and transports in the Atlantic Subpolar Gyre

    Science.gov (United States)

    García-Ibáñez, Maribel I.; Pardo, Paula C.; Carracedo, Lidia I.; Mercier, Herlé; Lherminier, Pascale; Ríos, Aida F.; Pérez, Fiz F.

    2014-05-01

    The water mass structure, mixing and spreading in the North Atlantic Subpolar Gyre (SPG) were analyzed by means of an extended Optimum MultiParameter (eOMP) approach over the six repeats of the WOCE A25 hydrographic line located at the southern boundary of this gyre. The data includes the Fourex (4x) line taken in 1997 and the five repeat sections of the OVIDE line taken every other year from 2002 to 2010. We proposed 10 water masses, defined by their thermohaline properties (potential temperature and salinity), oxygen and nutrients (nitrate, phosphate and silicate), to resolve the water mass structure of the SPG. The eOMP enables to decompose the transports by water mass quantitatively. Our model provides water mass distributions that are able to reproduce the input data of potential temperature, salinity and silicate with r2>0.997 and of oxygen, nitrate and phosphate with r2>0.96. By combining the velocity field and the water mass structure across each section we provide the relative contribution of each water mass to the Meridional Overturning Circulation (MOC) and we evaluate the water mass transformation in the North Atlantic. The MOC upper limb during OVIDE (2002-2010) is constituted by the northward transports of the central waters (9.4 Sv; 1 Sv = 106 m3 s-1), the Subarctic Intermediate Water (SAIW, 2.8 Sv) and the Subpolar Mode Water (SPMW) of the Iceland Basin (2.1 Sv). The MOC lower limb is constituted by the southward transports of the Iceland-Scotland Overflow Water (ISOW, 2.9 Sv), the Denmark Strait Overflow Water (DSOW, 2.5 Sv), the Polar Intermediate Water (PIW, 0.8 Sv), the Labrador Sea Water (LSW, 3.6 Sv) and the SPMW of the Irminger Sea (4.7 Sv). These results contrast with those obtained for the 1997, cruise developed after a period of high NAO index. The greater MOC strength in 1997 resulted in greater northward transports of central waters (17.5 Sv), while the SAIW transports remained approximately unchanged. The increase of the northward

  14. Momentum, heat, and mass transfer analogy for vertical hydraulic transport of inert particles

    Directory of Open Access Journals (Sweden)

    Jaćimovski Darko R.

    2014-01-01

    Full Text Available Wall-to-bed momentum, heat and mass transfer in vertical liquid-solids flow, as well as in single phase flow, were studied. The aim of this investigation was to establish the analogy among those phenomena. Also, effect of particles concentration on momentum, heat and mass transfer was studied. The experiments in hydraulic transport were performed in a 25.4 mm I.D. cooper tube equipped with a steam jacket, using spherical glass particles of 1.94 mm in diameter and water as a transport fluid. The segment of the transport tube used for mass transfer measurements was inside coated with benzoic acid. In the hydraulic transport two characteristic flow regimes were observed: turbulent and parallel particle flow regime. The transition between two characteristic regimes (γ*=0, occurs at a critical voidage ε≈0.85. The vertical two-phase flow was considered as the pseudofluid, and modified mixture-wall friction coefficient (fw and modified mixture Reynolds number (Rem were introduced for explanation of this system. Experimental data show that the wall-to-bed momentum, heat and mass transfer coefficients, in vertical flow of pseudofluid, for the turbulent regime are significantly higher than in parallel regime. Wall-to-bed, mass and heat transfer coefficients in hydraulic transport of particles were much higher then in single-phase flow for lower Reynolds numbers (Re15000, there was not significant difference. The experimental data for wall-to-bed momentum, heat and mass transfer in vertical flow of pseudofluid in parallel particle flow regime, show existing analogy among these three phenomena. [Projekat Ministarstva nauke Republike Srbije, br. 172022

  15. Diffuse hydrological mass transport through catchments: scenario analysis of coupled physical and biogeochemical uncertainty effects

    Directory of Open Access Journals (Sweden)

    K. Persson

    2011-10-01

    Full Text Available This paper quantifies and maps the effects of coupled physical and biogeochemical variability on diffuse hydrological mass transport through and from catchments. It further develops a scenario analysis approach and investigates its applicability for handling uncertainties about both physical and biogeochemical variability and their different possible cross-correlation. The approach enables identification of conservative assumptions, uncertainty ranges, as well as pollutant/nutrient release locations and situations for which further investigations are most needed in order to reduce the most important uncertainty effects. The present scenario results provide different statistical and geographic distributions of advective travel times for diffuse hydrological mass transport. The geographic mapping can be used to identify potential hotspot areas with large mass loading to downstream surface and coastal waters, as well as their opposite, potential lowest-impact areas within the catchment. Results for alternative travel time distributions show that neglect or underestimation of the physical advection variability, and in particular of those transport pathways with much shorter than average advective solute travel times, can lead to substantial underestimation of pollutant and nutrient loads to downstream surface and coastal waters. This is particularly true for relatively high catchment-characteristic product of average attenuation rate and average advective travel time, for which mass delivery would be near zero under assumed transport homogeneity but can be orders of magnitude higher for variable transport conditions. A scenario of high advection variability, with a significant fraction of relatively short travel times, combined with a relevant average biogeochemical mass attenuation rate, emerges consistently from the present results as a generally reasonable, conservative assumption for estimating maximum diffuse mass loading, when the prevailing

  16. Monitoring the emission of volatile organic compounds from flowers of Jasminum sambac using solid-phase micro-extraction fibers and gas chromatography with mass spectrometry detection.

    Science.gov (United States)

    Pragadheesh, Vppalayam Shanmugam; Yadav, Anju; Chanotiya, Chandan Singh; Rout, Prasanta Kumar; Uniyal, Girish Chandra

    2011-09-01

    Solid-phase micro-extraction (SPME) was studied as a solvent free alternative method for the extraction and characterization of volatile compounds in intact and plucked flowers of Jasminum sambac at different day time intervals using gas chromatography (GC-FID) and gas chromatography-quadrupole mass spectrometry. The analytes identified included alcohols, esters, phenolic compounds, and terpenoids. The main constituents identified in the flower aroma using different fibers were cis-3-hexenyl acetate, (E)-beta-ocimene, linalool, benzyl acetate, and (E,E)-alpha-farnesene. The benzyl acetate proportion decreased from morning to afternoon and then increased in evening collections. PDMS fiber showed a high proportion of (E,E)-alpha-farnesene in jasmine floral aroma. Among other constituents identified, cis-3-hexenyl acetate, linalool, and benzyl acetate were major aroma contributors in plucked and living flowers extracts using PDMS/DVB, Carboxen/PDMS, and DVB/Carboxen/PDMS fibers. PDMS/DVB recorded the highest emission for benzyl acetate while the (E)-beta-ocimene proportion was highest in DVB/Carboxen/PDMS when compared with the rest. The highest linalool content, with increasing proportion from morning to noon, was found using mixed coating fibers. Almost negligible volatile adsorption was recorded for the polyacrylate fiber for intact flower aroma, whereas it was most effective for benzyl acetate, followed by indole under plucked conditions. Moreover, the highest amounts extracted, evaluated from the sum of peak areas, were achieved using Carboxen/PDMS, and DVB/Carboxen/PDMS. Introduction of a rapid, and solvent free SPME method for the analysis of multicomponent volatiles can be successfully employed to monitor the extraction and characterization of flower aroma constituents.

  17. A correction technique for the dispersive effects of mass lumping for transport problems

    KAUST Repository

    Guermond, Jean-Luc

    2013-01-01

    This paper addresses the well-known dispersion effect that mass lumping induces when solving transport-like equations. A simple anti-dispersion technique based on the lumped mass matrix is proposed. The method does not require any non-trivial matrix inversion and has the same anti-dispersive effects as the consistent mass matrix. A novel quasi-lumping technique for P2 finite elements is introduced. Higher-order extensions of the method are also discussed. © 2012 Elsevier B.V.

  18. Aerosol properties and radiative forcing for three air masses transported in Summer 2011 to Sopot, Poland

    Science.gov (United States)

    Rozwadowska, Anna; Stachlewska, Iwona S.; Makuch, P.; Markowicz, K. M.; Petelski, T.; Strzałkowska, A.; Zieliński, T.

    2013-05-01

    Properties of atmospheric aerosols and solar radiation reaching the Earth's surface were measured during Summer 2011 in Sopot, Poland. Three cloudless days, characterized by different directions of incoming air-flows, which are typical transport pathways to Sopot, were used to estimate a radiative forcing due to aerosols present in each air mass.

  19. Comparison of macro- and microscopic theories describing multicomponent mass transport in microporous media

    NARCIS (Netherlands)

    Benes, Nieck Edwin; Verweij, H.

    2000-01-01

    A detailed discussion is presented of three well-known macroscopic theories for describing the mass transport behavior of multicomponent mixtures; these include Fick's law, the Onsager theory of irreversible thermodynamics, and the Maxwell-Stefan theory. The merits and drawbacks of these theories ar

  20. Cerebral serotonin transporter binding is inversely related to body mass index

    DEFF Research Database (Denmark)

    Erritzoe, D; Frokjaer, V G; Haahr, M T

    2010-01-01

    ) in animal models is inversely related to food intake and body weight and some effective anti-obesity agents involve blockade of the serotonin transporter (SERT). We investigated in 60 healthy volunteers body mass index (BMI) and regional cerebral SERT binding as measured with [(11)C]DASB PET. In a linear...

  1. No association between striatal dopamine transporter binding and body mass index

    DEFF Research Database (Denmark)

    van de Giessen, Elsmarieke; Hesse, Swen; Caan, Matthan W A

    2013-01-01

    Dopamine is one among several neurotransmitters that regulate food intake and overeating. Thus, it has been linked to the pathophysiology of obesity and high body mass index (BMI). Striatal dopamine D(2) receptor availability is lower in obesity and there are indications that striatal dopamine...... transporter (DAT) availability is also decreased. In this study, we tested whether BMI and striatal DAT availability are associated....

  2. Next-generation satellite gravimetry for measuring mass transport in the Earth system

    NARCIS (Netherlands)

    Teixeira Encarnação, J.

    2015-01-01

    The main objective of the thesis is to identify the optimal set-up for future satellite gravimetry missions aimed at monitoring mass transport in the Earth’s system.The recent variability of climatic patterns, the spread of arid regions and associ- ated changes in the hydrological cycle, and vigorou

  3. Gas chromatography–mass spectroscopy optimization by computer simulation, application to the analysis of 93 volatile organic compounds in workplace ambient air

    Energy Technology Data Exchange (ETDEWEB)

    Randon, J., E-mail: randon@univ-lyon1.fr [ISA Institut des Sciences Analytiques, Université Claude Bernard Lyon 1, 5 rue de la Doua, 69100 Villeurbanne (France); Maret, L. [ISA Institut des Sciences Analytiques, Université Claude Bernard Lyon 1, 5 rue de la Doua, 69100 Villeurbanne (France); Ferronato, C. [IRCELYON Institut de recherches sur la catalyse et l’environnement de Lyon, Université Claude Bernard Lyon1, 2 avenue Albert Einstein, 69626 Villeurbanne (France)

    2014-02-17

    Graphical abstract: -- Highlights: •Determination of GC thermodynamic retention parameters from only few preliminary experiments. •Simulation of GC separation for any kind of temperature program. •Identification of coelutions and automatic ion selection for MS quantification. •Example of application to two sets of VOC with 16 and 93 compounds. •Such methodology can be easily transposed to any set of volatile compounds. -- Abstract: GC–MS optimization method including both advantages from chromatographic separation and mass spectrometric detection was designed for a set of 93 volatile organic compounds. Only a few experiments were necessary to determine the thermodynamic retention parameters for all compounds on a RTX-VMS column. From these data, computer simulation was used in order to predict the retention times of the compounds in temperature programmed gas chromatography. Then, an automatic selection of ions from the NIST database was performed and compared to the optimum conditions (full separation of VOC). This simulation-selection procedure was used to screen a numerous set of GC and MS conditions in order to quickly design a GC–MS method whatever the set of compounds considered.

  4. Investigation of Volatiles Emitted from Freshly Cut Onions (Allium cepa L. by Real Time Proton-Transfer Reaction-Mass Spectrometry (PTR-MS

    Directory of Open Access Journals (Sweden)

    Mette Marie Løkke

    2012-11-01

    Full Text Available Volatile organic compounds (VOCs in cut onions (Allium cepa L. were continuously measured by PTR-MS during the first 120 min after cutting. The headspace composition changed rapidly due to the very reactive volatile sulfurous compounds emitted from onion tissue after cell disruption. Mass spectral signals corresponding to propanethial S-oxide (the lachrymatory factor and breakdown products of this compound dominated 0–10 min after cutting. Subsequently, propanethiol and dipropyl disulfide predominantly appeared, together with traces of thiosulfinates. The concentrations of these compounds reached a maximum at 60 min after cutting. Propanethiol was present in highest concentrations and had an odor activity value 20 times higher than dipropyl disulfide. Thus, propanethiol is suggested to be the main source of the characteristic onion odor. Monitoring the rapid changes of VOCs in the headspace of cut onion necessitates a high time resolution, and PTR-MS is demonstrated to be a very suitable method for monitoring the headspace of freshly cut onions directly after cutting without extraction or pre-concentration.

  5. Detecting volatile compounds from Kraft lignin degradation in the headspace of microbial cultures by selected ion flow tube mass spectrometry (SIFT-MS).

    Science.gov (United States)

    Gibson, Andrew; Malek, Lada; Dekker, Robert F H; Ross, Brian

    2015-05-01

    Selected Ion Flow Tube Mass Spectrometry (SIFT-MS) was used to quantify methanol and other volatile compounds in the headspace of one bacterial and 12 fungal lignin-degrading microbial cultures. Cultures were grown in 250 mL Erlenmeyer flasks capped with aluminum foil containing 40 mL of nutrient media using Kraft lignin (0.3% w/v) as the sole carbon source. Analysis was done using SIFT-MS with H3O(+) and NO(+) precursors. Product ions were identified with multiple ion mode (MIM). Full scan (FS) mode was used to identify other compounds of interest. Absidia cylindrospora, Ischnoderma resinosum and Pholiota aurivella increased headspace methanol concentration by 136 ppb, 1196 ppb and 278 ppb, respectively, while Flammulina velutipes and Laetiporus sulphureus decreased concentration below ambient levels. F. velutipes and L. sulphureus were found to produce products of methanol oxidation (formaldehyde and formic acid) and were likely metabolizing methanol. Some additional unidentified compounds generated by the fungal cultures are intriguing and will require further study. SIFT-MS can be used to quantify methanol and other volatile compounds in the headspace of microbial cultures and has the potential to be a rapid, sensitive, non-invasive tool useful in elucidating the mechanisms of lignin degradative pathways.

  6. Detection of plant volatiles after leaf wounding and darkening by proton transfer reaction "time-of-flight" mass spectrometry (PTR-TOF.

    Directory of Open Access Journals (Sweden)

    Federico Brilli

    Full Text Available Proton transfer reaction-time of flight (PTR-TOF mass spectrometry was used to improve detection of biogenic volatiles organic compounds (BVOCs induced by leaf wounding and darkening. PTR-TOF measurements unambiguously captured the kinetic of the large emissions of green leaf volatiles (GLVs and acetaldehyde after wounding and darkening. GLVs emission correlated with the extent of wounding, thus confirming to be an excellent indicator of mechanical damage. Transient emissions of methanol, C5 compounds and isoprene from plant species that do not emit isoprene constitutively were also detected after wounding. In the strong isoprene-emitter Populus alba, light-dependent isoprene emission was sustained and even enhanced for hours after photosynthesis inhibition due to leaf cutting. Thus isoprene emission can uncouple from photosynthesis and may occur even after cutting leaves or branches, e.g., by agricultural practices or because of abiotic and biotic stresses. This observation may have important implications for assessments of isoprene sources and budget in the atmosphere, and consequences for tropospheric chemistry.

  7. A portable gas chromatograph with simultaneous detection by mass spectrometry and electroantennography for the highly sensitive in situ measurement of volatiles.

    Science.gov (United States)

    Schott, Matthias; Wehrenfennig, Christoph; Gasch, Tina; Düring, Rolf-Alexander; Vilcinskas, Andreas

    2013-09-01

    Mating disruption is a sustainable method for the control of insect pests, involving the release of synthetic sex pheromones that disrupt the olfactory localization of females by males. However, the development and refinement of this strategy is hampered because current instruments lack the sensitivity to detect volatile organic chemicals in the field, and portable electroantennograms produce non-comparable relative units and distorted results in the presence of plant volatiles. To address the demand for more sensitive instruments that are suitable for the rapid in situ detection of airborne pheromones, we have developed a portable, automated needle trap device connected to a gas chromatograph, mass spectrometer, and electroantennographic detector (NTD-GC-MS/EAD) suitable for field applications. We tested the instrument by measuring the concentration of the sex pheromone (E,Z)-7,9-dodecadienyl acetate, which is used to disrupt the mating of the European grapevine moth Lobesia botrana (Lepidoptera: Tortricidae). Our data confirm that the instrument generates highly reproducible results and is highly sensitive, with a detection threshold of 3 ng/m(3) (E,Z)-7,9-dodecadienyl acetate in outside air.

  8. Development of solid-phase microextraction followed by gas chromatography-mass spectrometry for rapid analysis of volatile organic chemicals in mainstream cigarette smoke.

    Science.gov (United States)

    Ye, Qing

    2008-12-12

    In this work, a novel, simple and efficient method based on solid-phase microextraction (SPME) followed by gas chromatography-mass spectrometry (GC-MS) was developed to the analysis of volatile organic chemicals (VOCs) in mainstream cigarette smoke (MCS). Using a simple home-made smoking machine device, extraction and concentration of VOCs in MCS were performed by SPME fiber, and the VOCs adsorbed on fiber were desorbed, and analyzed by GC-MS. The extraction fiber types and the desorption conditions were studied, and the method precision was also investigated. After the investigation, the optimal fiber was divinylbenzene/carboxen/polydemethylsiloxane (DVB/CAR/PDMS), and the optimal desorption condition was 250 degrees C for 3 min. The method precision was from 2% to 11%. Finally, the proposed method was tested by its application of the analysis of VOCs in MCS from 10 brands of cigarettes and one reference cigarette. A total of 70 volatile compounds were identified by the proposed method. The experimental results showed that the proposed method was a simple, rapid, reliable, and solvent-free technique for the determination of VOCs in MCS.

  9. Real-time quantification of traces of biogenic volatile selenium compounds in humid air by selected ion flow tube mass spectrometry.

    Science.gov (United States)

    Sovová, Kristýna; Shestivska, Violetta; Španěl, Patrik

    2012-06-01

    Biological volatilization of selenium, Se, in a contaminated area is an economical and environmentally friendly approach to phytoremediation techniques, but analytical methods for monitoring and studying volatile compounds released in the process of phytovolatilization are currently limited in their performance. Thus, a new method for real time quantification of trace amounts of the vapors of hydrogen selenide (H(2)Se), methylselenol (CH(3)SeH), dimethylselenide ((CH(3))(2)Se), and dimethyldiselenide ((CH(3))(2)Se(2)) present in ambient air adjacent to living plants has been developed. This involves the characterization of the mechanism and kinetics of the reaction of H(3)O(+), NO(+), and O(2)(+•) reagent ions with molecules of these compounds and then use of the rate constants so obtained to determine their absolute concentrations in air by selected ion flow tube mass spectrometry, SIFT-MS. The results of experiments demonstrating this method on emissions from maize (Zea mays) seedlings cultivated in Se rich medium are also presented.

  10. Mass transport in a porous microchannel for non-Newtonian fluid with electrokinetic effects.

    Science.gov (United States)

    Mondal, Sourav; De, Sirshendu

    2013-03-01

    Quantification of mass transfer in porous microchannel is of paramount importance in several applications. Transport of neutral solute in presence of convective-diffusive EOF having non-Newtonian rheology, in a porous microchannel was presented in this article. The governing mass transfer equation coupled with velocity field was solved along with associated boundary conditions using a similarity solution method. An analytical solution of mass transfer coefficient and hence, Sherwood number were derived from first principles. The corresponding effects of assisting and opposing pressure-driven flow and EOF were also analyzed. The influence of wall permeation, double-layer thickness, rheology, etc. on the mass transfer was also investigated. Permeation at the wall enhanced the mass transfer coefficient more than five times compared to impervious conduit in case of pressure-driven flow assisting the EOF at higher values of κh. Shear thinning fluid exhibited more enhancement of Sherwood number in presence of permeation compared to shear thickening one. The phenomenon of stagnation was observed at a particular κh (∼2.5) in case of EOF opposing the pressure-driven flow. This study provided a direct quantification of transport of a neutral solute in case of transdermal drug delivery, transport of drugs from blood to target region, etc.

  11. Cosmological mass transport on galactic nuclei and the formation of high Z quasars

    Science.gov (United States)

    Escala, A.; Prieto, J.

    2017-07-01

    By using AMR cosmological hydrodynamic N-body zoom-in simulations, we studied the mass transport processes onto galactic nuclei from high redshift up to z˜6. We were able to study the mass accretion process on scales from ˜50 kpc to ˜ few pc. We studied the BH growth at the galactic center in relation with the mass transport processes associated to both the Reynolds and the gravitational stress on the disc. We found that in simulations that include radiative cooling and SN feedback, the SMBH grows at the Eddington limit for some periods of time presenting ≍0.5 throughout its evolution. The α parameter is dominated by the Reynolds term, αR, with αR»1. The gravitational part of the α parameter, αG, has an increasing trend toward the galactic center at higher redshifts, with values αG˜1 at radii &lesssim, few 101 pc contributing to the BH fueling. In terms of torques, we also found that gravity has an increasing contribution toward the galactic center at earlier epochs with a mixed contribution above ˜100 pc. This complementary work between pressure gradients and gravitational potential gradients allows an efficient mass transport on the disc with average mass accretion rates of the order ˜ few 1M⊙/yr. These level of SMBH accretion rates found in our cosmological simulations are needed in all models of SMBH growth that attempt to explain the formation of redshift 6-7 quasars.

  12. Investigating Mass Transport Limitations on Xylan Hydrolysis During Dilute Acid Pretreatment of Poplar

    Energy Technology Data Exchange (ETDEWEB)

    Mittal, Ashutosh; Pilath, Heid M.; Parent, Yves; Chatterjee, Siddharth G.; Donohoe, Bryon S.; Yarbrough, John M.; Himmel, Michael E.; Nimlos, Mark R.; Johnson, David K.

    2014-04-28

    Mass transport limitations could be an impediment to achieving high sugar yields during biomass pretreatment and thus be a critical factor in the economics of biofuels production. The objective of this work was to study the mass transfer restrictions imposed by the structure of biomass on the hydrolysis of xylan during dilute acid pretreatment of biomass. Mass transfer effects were studied by pretreating poplar wood at particle sizes ranging from 10 micrometers to 10 mm. This work showed a significant reduction in the rate of xylan hydrolysis in poplar when compared to the intrinsic rate of hydrolysis for isolated xylan that is possible in the absence of mass transfer. In poplar samples we observed no significant difference in the rates of xylan hydrolysis over more than two orders of magnitude in particle size. It appears that no additional mass transport restrictions are introduced by increasing particle size from 10 micrometers to 10 mm. This work suggests that the rates of xylan hydrolysis in biomass particles are limited primarily by the diffusion of hydrolysis products out of plant cell walls. A mathematical description is presented to describe the kinetics of xylan hydrolysis that includes transport of the hydrolysis products through biomass into the bulk solution. The modeling results show that the effective diffusion coefficient of the hydrolysis products in the cell wall is several orders of magnitude smaller than typical values in other applications signifying the role of plant cell walls in offering resistance to diffusion of the hydrolysis products.

  13. Anisotropic diffusion of volatile pollutants at air-water interface

    Institute of Scientific and Technical Information of China (English)

    Li-ping CHEN; Jing-tao CHENG; Guang-fa DENG

    2013-01-01

    The volatile pollutants that spill into natural waters cause water pollution. Air pollution arises from the water pollution because of volatilization. Mass exchange caused by turbulent fluctuation is stronger in the direction normal to the air-water interface than in other directions due to the large density difference between water and air. In order to explore the characteristics of anisotropic diffusion of the volatile pollutants at the air-water interface, the relationship between velocity gradient and mass transfer rate was established to calculate the turbulent mass diffusivity. A second-order accurate smooth transition differencing scheme (STDS) was proposed to guarantee the boundedness for the flow and mass transfer at the air-water interface. Simulations and experiments were performed to study the trichloroethylene (C2HCl3) release. By comparing the anisotropic coupling diffusion model, isotropic coupling diffusion model, and non-coupling diffusion model, the features of the transport of volatile pollutants at the air-water interface were determined. The results show that the anisotropic coupling diffusion model is more accurate than the isotropic coupling diffusion model and non-coupling diffusion model. Mass transfer significantly increases with the increase of the air-water relative velocity at a low relative velocity. However, at a higher relative velocity, an increase in the relative velocity has no effect on mass transfer.

  14. Anisotropic diffusion of volatile pollutants at air-water interface

    Directory of Open Access Journals (Sweden)

    Li-ping CHEN

    2013-04-01

    Full Text Available The volatile pollutants that spill into natural waters cause water pollution. Air pollution arises from the water pollution because of volatilization. Mass exchange caused by turbulent fluctuation is stronger in the direction normal to the air-water interface than in other directions due to the large density difference between water and air. In order to explore the characteristics of anisotropic diffusion of the volatile pollutants at the air-water interface, the relationship between velocity gradient and mass transfer rate was established to calculate the turbulent mass diffusivity. A second-order accurate smooth transition differencing scheme (STDS was proposed to guarantee the boundedness for the flow and mass transfer at the air-water interface. Simulations and experiments were performed to study the trichloroethylene (C2HCl3 release. By comparing the anisotropic coupling diffusion model, isotropic coupling diffusion model, and non-coupling diffusion model, the features of the transport of volatile pollutants at the air-water interface were determined. The results show that the anisotropic coupling diffusion model is more accurate than the isotropic coupling diffusion model and non-coupling diffusion model. Mass transfer significantly increases with the increase of the air-water relative velocity at a low relative velocity. However, at a higher relative velocity, an increase in the relative velocity has no effect on mass transfer.

  15. A mass-conserving advection scheme for offline simulation of scalar transport in coastal ocean models

    Science.gov (United States)

    Gillibrand, P. A.; Herzfeld, M.

    2016-05-01

    We present a flux-form semi-Lagrangian (FFSL) advection scheme designed for offline scalar transport simulation with coastal ocean models using curvilinear horizontal coordinates. The scheme conserves mass, overcoming problems of mass conservation typically experienced with offline transport models, and permits long time steps (relative to the Courant number) to be used by the offline model. These attributes make the method attractive for offline simulation of tracers in biogeochemical or sediment transport models using archived flow fields from hydrodynamic models. We describe the FFSL scheme, and test it on two idealised domains and one real domain, the Great Barrier Reef in Australia. For comparison, we also include simulations using a traditional semi-Lagrangian advection scheme for the offline simulations. We compare tracer distributions predicted by the offline FFSL transport scheme with those predicted by the original hydrodynamic model, assess the conservation of mass in all cases and contrast the computational efficiency of the schemes. We find that the FFSL scheme produced very good agreement with the distributions of tracer predicted by the hydrodynamic model, and conserved mass with an error of a fraction of one percent. In terms of computational speed, the FFSL scheme was comparable with the semi-Lagrangian method and an order of magnitude faster than the full hydrodynamic model, even when the latter ran in parallel on multiple cores. The FFSL scheme presented here therefore offers a viable mass-conserving and computationally-efficient alternative to traditional semi-Lagrangian schemes for offline scalar transport simulation in coastal models.

  16. Slab-derived halogens and noble gases illuminate closed system processes controlling volatile element transport into the mantle wedge

    Science.gov (United States)

    Kobayashi, Masahiro; Sumino, Hirochika; Nagao, Keisuke; Ishimaru, Satoko; Arai, Shoji; Yoshikawa, Masako; Kawamoto, Tatsuhiko; Kumagai, Yoshitaka; Kobayashi, Tetsuo; Burgess, Ray; Ballentine, Chris J.

    2017-01-01

    Halogen and noble gas systematics are powerful tracers of volatile recycling in subduction zones. We present halogen and noble gas compositions of mantle peridotites containing H2O-rich fluid inclusions collected at volcanic fronts from two contrasting subduction zones (the Avacha volcano of Kamchatka arc and the Pinatubo volcano of Luzon arcs) and orogenic peridotites from a peridotite massif (the Horoman massif, Hokkaido, Japan) which represents an exhumed portion of the mantle wedge. The aims are to determine how volatiles are carried into the mantle wedge and how the subducted fluids modify halogen and noble gas compositions in the mantle. The halogen and noble gas signatures in the H2O-rich fluids are similar to those of marine sedimentary pore fluids and forearc and seafloor serpentinites. This suggests that marine pore fluids in deep-sea sediments are carried by serpentine and supplied to the mantle wedge, preserving their original halogen and noble gas compositions. We suggest that the sedimentary pore fluid-derived water is incorporated into serpentine through hydration in a closed system along faults at the outer rise of the oceanic, preserving Cl/H2O and 36Ar/H2O values of sedimentary pore fluids. Dehydration-hydration process within the oceanic lithospheric mantle maintains the closed system until the final stage of serpentine dehydration. The sedimentary pore fluid-like halogen and noble gas signatures in fluids released at the final stage of serpentine dehydration are preserved due to highly channelized flow, whereas the original Cl/H2O and 36Ar/H2O ratios are fractionated by the higher incompatibility of halogens and noble gases in hydrous minerals.

  17. A purge and trap technique to capture volatile compounds combined with comprehensive two-dimensional gas chromatography/time-of-flight mass spectrometry to investigate the effect of sulfur-fumigation on Radix Angelicae Dahuricae.

    Science.gov (United States)

    Cao, Gang; Li, Qinglin; Zhang, Jida; Cai, Hao; Cai, Baochang

    2014-09-01

    Sulfur-fumigation is known to reduce volatile compounds that are the main active components in herbs used in herbal medicine. We investigated changes in chemical composition between sun-dried and sulfur-fumigated Radix Angelicae Dahuricae using a purge and trap technique to capture volatile compounds, and two-dimensional gas chromatography/time-of-flight mass spectrometry for identification. Using sun-dried Radix Angelicae Dahuricae samples as a reference, the results showed that 73 volatile compounds, including 12 sulfide compounds, were found to be present only in sulfur-fumigated samples. Furthermore, 32 volatile compounds that were found in sun-dried Radix Angelicae Dahuricae samples disappeared after sulfur-fumigation. The proposed method can be applied to accurately discriminate sulfur-fumigated Radix Angelicae Dahuricae from different commercial sources.

  18. Virtual volatility

    Science.gov (United States)

    Silva, A. Christian; Prange, Richard E.

    2007-03-01

    We introduce the concept of virtual volatility. This simple but new measure shows how to quantify the uncertainty in the forecast of the drift component of a random walk. The virtual volatility also is a useful tool in understanding the stochastic process for a given portfolio. In particular, and as an example, we were able to identify mean reversion effect in our portfolio. Finally, we briefly discuss the potential practical effect of the virtual volatility on an investor asset allocation strategy.

  19. Virtual volatility

    OpenAIRE

    A. Christian Silva; Prange, Richard E.

    2006-01-01

    We introduce the concept of virtual volatility. This simple but new measure shows how to quantify the uncertainty in the forecast of the drift component of a random walk. The virtual volatility also is a useful tool in understanding the stochastic process for a given portfolio. In particular, and as an example, we were able to identify mean reversion effect in our portfolio. Finally, we briefly discuss the potential practical effect of the virtual volatility on an investor asset allocation st...

  20. Identification and quantification of seven volatile n-nitrosamines in cosmetics using gas chromatography/chemical ionization-mass spectrometry coupled with head space-solid phase microextraction.

    Science.gov (United States)

    Choi, Na Rae; Kim, Yong Pyo; Ji, Won Hyun; Hwang, Geum-Sook; Ahn, Yun Gyong

    2016-01-01

    An analytical method was developed for the identification and quantification of seven volatile n-nitrosamines (n-nitrosodimethylamine [NDMA], n-nitrosoethylmethylamine [NMEA], n-nitrosodiethylamine [NDEA], n-nitrosodipropylamine [NDPA], n-nitrosodibutylamine [NDBA], n-nitrosopiperidine [NPIP], and n-nitrosopyrrolidine [NPYR]) in water insoluble cream type cosmetics. It was found that the head space-solid phase microextraction (HS-SPME) was suitable for extraction, clean up, and pre-concentration of n-nitrosamines in the cream type samples so its optimal conditions were investigated. Identification and quantification of n-nitrosamines using single quadrupole gas chromatography/mass spectrometry (GC/MS) in chemical ionization (CI) mode were carried out with accurate mass measurements. Their accurate masses of protonated molecular ions were obtained within 10 mDa of the theoretical masses when sufficiently high signal was acquired from the unique calibration method using mass and isotope accuracy. For the method validation of quantification, spiking experiments were carried out to determine the linearity, recovery, and method detection limit (MDL) using three deuterated internal standards. The average recovery was 79% within 20% relative standard deviation (RSD) at the concentration of 50 ng/g. MDLs ranged from 0.46 ng/g to 36.54 ng/g, which was satisfactory for the directive limit of 50 ng/g proposed by the European Commission (EC). As a result, it was concluded that the method could be provided for the accurate mass screening, confirmation, and quantification of n-nitrosamines when applied to cosmetic inspection.

  1. Plant volatiles.

    Science.gov (United States)

    Baldwin, Ian T

    2010-05-11

    Plant volatiles are the metabolites that plants release into the air. The quantities released are not trivial. Almost one-fifth of the atmospheric CO2 fixed by land plants is released back into the air each day as volatiles. Plants are champion synthetic chemists; they take advantage of their anabolic prowess to produce volatiles, which they use to protect themselves against biotic and abiotic stresses and to provide information - and potentially disinformation - to mutualists and competitors alike. As transferors of information, volatiles have provided plants with solutions to the challenges associated with being rooted in the ground and immobile.

  2. Determination of 19 volatile organic compounds in wastewater effluents from different treatments by purge and trap followed by gas-chromatography coupled to mass spectrometry.

    Science.gov (United States)

    Barco-Bonilla, Nieves; Plaza-Bolaños, Patricia; Fernández-Moreno, José Luis; Romero-González, Roberto; Frenich, Antonia Garrido; Vidal, José Luis Martínez

    2011-07-01

    A rapid and simple methodology based on purge and trap with gas-chromatography coupled to triple quadrupole mass spectrometry has been developed for the analysis of 19 volatile organic compounds (VOCs) in wastewater (WW) effluents from four different treatments. The determination was carried out in the raw WW effluents, which were not submitted to any pre-treatment (e.g., filtration). A matrix effect study was also performed, concluding that solvent calibration was adequate to quantify VOCs in WW effluent samples containing a variety of suspended particulate matter. Adequate validation parameters were obtained with recovery values in the range 73-124% and precision values lower than 24%. Limits of quantification were established at 0.1 μg L(-1) for all VOCs. The proposed method was applied to the analysis of WW samples, detecting chloroform and toluene at concentrations ranging from 0.1 to 4.80 μg L(-1).

  3. A Simultaneous Analytical Method to Profile Non-Volatile Components with Low Polarity Elucidating Differences Between Tobacco Leaves Using Atmospheric Pressure Chemical Ionization Mass Spectrometry Detection

    Directory of Open Access Journals (Sweden)

    Ishida Naoyuki

    2016-04-01

    Full Text Available A comprehensive analytical method using liquid chromatography atmospheric pressure chemical ionization mass spectrometry detector (LC/APCI-MSD was developed to determine key non-volatile components with low polarity elucidating holistic difference among tobacco leaves. Nonaqueous reversed-phase chromatography (NARPC using organic solvent ensured simultaneous separation of various components with low polarity in tobacco resin. Application of full-scan mode to APCI-MSD hyphenated with NARPC enabled simultaneous detection of numerous intense product ions given by APCI interface. Parameters for data processing to filter, feature and align peaks were adjusted in order to strike a balance between comprehensiveness and reproducibility in analysis. 63 types of components such as solanesols, chlorophylls, phytosterols, triacylglycerols, solanachromene and others were determined on total ion chromatograms according to authentic components, wavelength spectrum and mass spectrum. The whole area of identified entities among the ones detected on total ion chromatogram reached to over 60% and major entities among those identified showed favorable linearity of determination coefficient of over 0.99. The developed method and data processing procedure were therefore considered feasible for subsequent multivariate analysis. Data matrix consisting of a number of entities was then subjected to principal component analysis (PCA and hierarchical clustering analysis. Cultivars of tobacco leaves were distributed far from each cultivar on PCA score plot and each cluster seemed to be characterized by identified non-volatile components with low polarity. While fluecured Virginia (FCV was loaded by solanachromene, phytosterol esters and triacylglycerols, free phytosterols and chlorophylls loaded Burley (BLY and Oriental (ORI respectively. Consequently the whole methodology consisting of comprehensive method and data processing procedure proved useful to determine key

  4. Wave Effect on the Ocean Circulations Through Mass Transport and Wave-Induced Pumping

    Institute of Scientific and Technical Information of China (English)

    BI Fan; WU Kejian

    2014-01-01

    The wave Coriolis-Stokes-Force-modified ocean momentum equations are reviewed in this paper and the wave Stokes transport is pointed out to be part of the ocean circulations. Using the European Centre for Medium-Range Weather Forecasts 40-year reanalysis data (ERA-40 data) and the Simple Ocean Data Assimilation (SODA) version 2.2.4 data, the magnitude of this transport is compared with that of wind-driven Sverdrup transport and a 5-to-10-precent contribution by the wave Stokes transport is found. Both transports are stronger in boreal winter than in summers. The wave effect can be either contribution or cancellation in different seasons. Examination with Kuroshio transport verifies similar seasonal variations. The clarification of the efficient wave boundary condition helps to understand the role of waves in mass transport. It acts as surface wind stress and can be functional down to the bottom of the ageostrophic layer. The pumping velocities resulting from wave-induced stress are zonally distributed and are significant in relatively high latitudes. Further work will focus on the model performance of the wave-stress-changed-boundary and the role of swells in the eastern part of the oceans.

  5. Mass Transport and Shear Stress as Mediators of Flow Effects on Atherosclerotic Plaque Origin and Growth

    Science.gov (United States)

    Gorder, Riley; Aliseda, Alberto

    2009-11-01

    The carotid artery bifurcation (CAB) is one of the leading site for atherosclerosis, a major cause of mortality and morbidity in the developed world. The specific mechanisms by which perturbed flow at the bifurcation and in the carotid bulge promotes plaque formation and growth are not fully understood. Shear stress, mass transport, and flow residence times are considered dominant factors. Shear stress causes restructuring of endothelial cells at the arterial wall which changes the wall's permeability. Long residence times are associated with enhanced mass transport through increased diffusion of lipids and white blood cells into the arterial wall. Although momentum and mass transfer are traditionally coupled by correlations similar to Reynolds Analogy, the complex flow patterns present in this region due to the pulsatile, transitional, detached flow associated with the complex geometry makes the validity of commonly accepted assumptions uncertain. We create solid models of the CAB from MRI or ultrasound medical images, build flow phantoms on clear polyester resin and use an IOR matching, blood mimicking, working fluid. Using PIV and dye injection techniques the shear stress and scalar transport are experimentally investigated. Our goal is to establish a quantitative relationship between momentum and mass transfer under a wide range of physiologically normal and pathological conditions.

  6. Multiscale mass transport in z~6 galactic discs: fueling black holes

    CERN Document Server

    Prieto, Joaquin

    2015-01-01

    By using AMR cosmological hydrodynamic N-body zoom-in simulations, with the RAMSES code, we studied the mass transport processes onto galactic nuclei from high redshift up to $z\\sim6$. Due to the large dynamical range of the simulations we were able to study the mass accretion process on scales from $\\sim50$ kpc to $\\sim$pc. We studied the BH growth set on the galactic center in relation with the mass transport processes associated to both the Reynolds stress and the gravitational stress on the disc. Such methodology allowed us to identify the main mass transport process as a function of the scales of the problem. We found that in simulations that include radiative cooling and SNe feedback, the SMBH grows at the Eddington limit for some periods of time presenting a $\\langle f_{EDD}\\rangle\\approx 0.5$ through out its evolution. The $\\alpha$ parameter is dominated by the Reynolds term, $\\alpha_R$, with $\\alpha_R\\gg 1$. The gravitational part of the $\\alpha$ parameter, $\\alpha_G$, has an increasing trend toward ...

  7. Implications of anthropogenic river stage fluctuations on mass transport in a valley fill aquifer

    Science.gov (United States)

    Boutt, D.F.; Fleming, B.J.

    2009-01-01

    In humid regions a strong coupling between surface water features and groundwater systems may exist. In these environments the exchange of water and solute depends primarily on the hydraulic gradient between the reservoirs. We hypothesize that daily changes in river stage associated with anthropogenic water releases (such as those from a hydroelectric dam) cause anomalous mixing in the near-stream environment by creating large hydraulic head gradients between the stream and adjacent aquifer. We present field observations of hydraulic gradient reversals in a shallow aquifer. Important physical processes observed in the field are explicitly reproduced in a physically based two-dimensional numerical model of groundwater flow coupled to a simplistic surface water boundary condition. Mass transport simulations of a conservative solute introduced into the surface water are performed and examined relative to a stream condition without stage fluctuations. Simulations of 20 d for both fluctuating river stage and fixed high river stage show that more mass is introduced into the aquifer from the stream in the oscillating case even though the net water flux is zero. Enhanced transport by mechanical dispersion leads to mass being driven away from the hydraulic zone of influence of the river. The modification of local hydraulic gradients is likely to be important for understanding dissolved mass transport in near-stream aquifer environments and can influence exchange zone processes under conditions of high-frequency stream stage changes. Copyright 2009 by the American Geophysical Union.

  8. Finite element modeling of mass transport in high-Péclet cardiovascular flows

    Science.gov (United States)

    Hansen, Kirk; Arzani, Amirhossein; Shadden, Shawn

    2016-11-01

    Mass transport plays an important role in many important cardiovascular processes, including thrombus formation and atherosclerosis. These mass transport problems are characterized by Péclet numbers of up to 108, leading to several numerical difficulties. The presence of thin near-wall concentration boundary layers requires very fine mesh resolution in these regions, while large concentration gradients within the flow cause numerical stabilization issues. In this work, we will discuss some guidelines for solving mass transport problems in cardiovascular flows using a stabilized Galerkin finite element method. First, we perform mesh convergence studies in a series of idealized and patient-specific geometries to determine the required near-wall mesh resolution for these types of problems, using both first- and second-order tetrahedral finite elements. Second, we investigate the use of several boundary condition types at outflow boundaries where backflow during some parts of the cardiac cycle can lead to convergence issues. Finally, we evaluate the effect of reducing Péclet number by increasing mass diffusivity as has been proposed by some researchers. This work was supported by the NSF GRFP and NSF Career Award #1354541.

  9. Design of New Electrode Interface to Improve Transport of Atmospheric Pressure Ions into a Mass Spectrometer

    Directory of Open Access Journals (Sweden)

    Francis Beaudry

    2009-01-01

    Full Text Available An intermediate electrode was developed to improve the transfer of ions in atmospheric pressure from a first location, the ion source, to a second location, the mass spectrometer. The new apparatus increase the efficiency of mass analysis of molecular constituents of liquids, including trace analysis of chemical entities, in which an electrospray (ES or IonSpray™ (IS technique is used to produce electrically charged droplets which divide and evaporate to form gaseous ions of the molecular constituents. The gas phase ions are transported to the mass spectrometer by an electric field generated by a new electrode design that separates the two fundamental functions of an electrospray or an IonSpray™, which are the nebulization of charged droplets and the transport of ions into the mass analyzer. The results suggest that the new apparatus provide a gain in signal intensity up to 10 compared with the commercial product. A significant improvement in ion transport results in higher precision and accuracy and/or reduction of the amount of material needed for analysis.

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

    NARCIS (Netherlands)

    Veldsink, J.W.; Damme, R.M.J. van; Versteeg, G.F.; Swaaij, W.P.M. van

    1995-01-01

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

  11.   Plant Phosphoproteomics: Analysis of Plasma Membrane Transporters by Mass Spectrometry

    DEFF Research Database (Denmark)

    Ye, Juanying; Rudashevskaya, Elena; Young, Clifford

    phosphorylation. Due to the low abundance of phosphoprotein, the specific enrichment prior to MS analysis is necessary. Plant proton pump (H+-ATPase) is an enzyme controls the major transport processes in the plant, such as root nutrient uptake. Moreover, this pump has been proposed to be involved in other......  Phosphorylation is a key regulatory factor in all aspects of eukaryotic biology including the regulation of plant membrane-bound transport proteins. To date, mass spectrometry (MS) has been introduced as powerful technology for study of post translational modifications (PTMs), including protein...

  12. Unstable volatility

    DEFF Research Database (Denmark)

    Casas, Isabel; Gijbels, Irène

    2012-01-01

    The objective of this paper is to introduce the break-preserving local linear (BPLL) estimator for the estimation of unstable volatility functions for independent and asymptotically independent processes. Breaks in the structure of the conditional mean and/or the volatility functions are common i...

  13. Unstable volatility

    DEFF Research Database (Denmark)

    Casas, Isabel; Gijbels, Irène

    2012-01-01

    The objective of this paper is to introduce the break-preserving local linear (BPLL) estimator for the estimation of unstable volatility functions for independent and asymptotically independent processes. Breaks in the structure of the conditional mean and/or the volatility functions are common i...

  14. Volatiles in protoplanetary disks

    CERN Document Server

    Pontoppidan, Klaus M; Bergin, Edwin A; Brittain, Sean; Marty, Bernard; Mousis, Olvier; Oberg, Karin L

    2014-01-01

    Volatiles are compounds with low sublimation temperatures, and they make up most of the condensible mass in typical planet-forming environments. They consist of relatively small, often hydrogenated, molecules based on the abundant elements carbon, nitrogen and oxygen. Volatiles are central to the process of planet formation, forming the backbone of a rich chemistry that sets the initial conditions for the formation of planetary atmospheres, and act as a solid mass reservoir catalyzing the formation of planets and planetesimals. This growth has been driven by rapid advances in observations and models of protoplanetary disks, and by a deepening understanding of the cosmochemistry of the solar system. Indeed, it is only in the past few years that representative samples of molecules have been discovered in great abundance throughout protoplanetary disks - enough to begin building a complete budget for the most abundant elements after hydrogen and helium. The spatial distributions of key volatiles are being mapped...

  15. Effects of reservoir heterogeneity on scaling of effective mass transfer coefficient for solute transport.

    Science.gov (United States)

    Leung, Juliana Y; Srinivasan, Sanjay

    2016-09-01

    Modeling transport process at large scale requires proper scale-up of subsurface heterogeneity and an understanding of its interaction with the underlying transport mechanisms. A technique based on volume averaging is applied to quantitatively assess the scaling characteristics of effective mass transfer coefficient in heterogeneous reservoir models. The effective mass transfer coefficient represents the combined contribution from diffusion and dispersion to the transport of non-reactive solute particles within a fluid phase. Although treatment of transport problems with the volume averaging technique has been published in the past, application to geological systems exhibiting realistic spatial variability remains a challenge. Previously, the authors developed a new procedure where results from a fine-scale numerical flow simulation reflecting the full physics of the transport process albeit over a sub-volume of the reservoir are integrated with the volume averaging technique to provide effective description of transport properties. The procedure is extended such that spatial averaging is performed at the local-heterogeneity scale. In this paper, the transport of a passive (non-reactive) solute is simulated on multiple reservoir models exhibiting different patterns of heterogeneities, and the scaling behavior of effective mass transfer coefficient (Keff) is examined and compared. One such set of models exhibit power-law (fractal) characteristics, and the variability of dispersion and Keff with scale is in good agreement with analytical expressions described in the literature. This work offers an insight into the impacts of heterogeneity on the scaling of effective transport parameters. A key finding is that spatial heterogeneity models with similar univariate and bivariate statistics may exhibit different scaling characteristics because of the influence of higher order statistics. More mixing is observed in the channelized models with higher-order continuity. It

  16. Effects of reservoir heterogeneity on scaling of effective mass transfer coefficient for solute transport

    Science.gov (United States)

    Leung, Juliana Y.; Srinivasan, Sanjay

    2016-09-01

    Modeling transport process at large scale requires proper scale-up of subsurface heterogeneity and an understanding of its interaction with the underlying transport mechanisms. A technique based on volume averaging is applied to quantitatively assess the scaling characteristics of effective mass transfer coefficient in heterogeneous reservoir models. The effective mass transfer coefficient represents the combined contribution from diffusion and dispersion to the transport of non-reactive solute particles within a fluid phase. Although treatment of transport problems with the volume averaging technique has been published in the past, application to geological systems exhibiting realistic spatial variability remains a challenge. Previously, the authors developed a new procedure where results from a fine-scale numerical flow simulation reflecting the full physics of the transport process albeit over a sub-volume of the reservoir are integrated with the volume averaging technique to provide effective description of transport properties. The procedure is extended such that spatial averaging is performed at the local-heterogeneity scale. In this paper, the transport of a passive (non-reactive) solute is simulated on multiple reservoir models exhibiting different patterns of heterogeneities, and the scaling behavior of effective mass transfer coefficient (Keff) is examined and compared. One such set of models exhibit power-law (fractal) characteristics, and the variability of dispersion and Keff with scale is in good agreement with analytical expressions described in the literature. This work offers an insight into the impacts of heterogeneity on the scaling of effective transport parameters. A key finding is that spatial heterogeneity models with similar univariate and bivariate statistics may exhibit different scaling characteristics because of the influence of higher order statistics. More mixing is observed in the channelized models with higher-order continuity. It

  17. Different methods for volatile sampling in mammals.

    Science.gov (United States)

    Kücklich, Marlen; Möller, Manfred; Marcillo, Andrea; Einspanier, Almuth; Weiß, Brigitte M; Birkemeyer, Claudia; Widdig, Anja

    2017-01-01

    Previous studies showed that olfactory cues are important for mammalian communication. However, many specific compounds that convey information between conspecifics are still unknown. To understand mechanisms and functions of olfactory cues, olfactory signals such as volatile compounds emitted from individuals need to be assessed. Sampling of animals with and without scent glands was typically conducted using cotton swabs rubbed over the skin or fur and analysed by gas chromatography-mass spectrometry (GC-MS). However, this method has various drawbacks, including a high level of contaminations. Thus, we adapted two methods of volatile sampling from other research fields and compared them to sampling with cotton swabs. To do so we assessed the body odor of common marmosets (Callithrix jacchus) using cotton swabs, thermal desorption (TD) tubes and, alternatively, a mobile GC-MS device containing a thermal desorption trap. Overall, TD tubes comprised most compounds (N = 113), with half of those compounds being volatile (N = 52). The mobile GC-MS captured the fewest compounds (N = 35), of which all were volatile. Cotton swabs contained an intermediate number of compounds (N = 55), but very few volatiles (N = 10). Almost all compounds found with the mobile GC-MS were also captured with TD tubes (94%). Hence, we recommend TD tubes for state of the art sampling of body odor of mammals or other vertebrates, particularly for field studies, as they can be easily transported, stored and analysed with high performance instruments in the lab. Nevertheless, cotton swabs capture compounds which still may contribute to the body odor, e.g. after bacterial fermentation, while profiles from mobile GC-MS include only the most abundant volatiles of the body odor.

  18. Different methods for volatile sampling in mammals

    Science.gov (United States)

    Möller, Manfred; Marcillo, Andrea; Einspanier, Almuth; Weiß, Brigitte M.

    2017-01-01

    Previous studies showed that olfactory cues are important for mammalian communication. However, many specific compounds that convey information between conspecifics are still unknown. To understand mechanisms and functions of olfactory cues, olfactory signals such as volatile compounds emitted from individuals need to be assessed. Sampling of animals with and without scent glands was typically conducted using cotton swabs rubbed over the skin or fur and analysed by gas chromatography-mass spectrometry (GC-MS). However, this method has various drawbacks, including a high level of contaminations. Thus, we adapted two methods of volatile sampling from other research fields and compared them to sampling with cotton swabs. To do so we assessed the body odor of common marmosets (Callithrix jacchus) using cotton swabs, thermal desorption (TD) tubes and, alternatively, a mobile GC-MS device containing a thermal desorption trap. Overall, TD tubes comprised most compounds (N = 113), with half of those compounds being volatile (N = 52). The mobile GC-MS captured the fewest compounds (N = 35), of which all were volatile. Cotton swabs contained an intermediate number of compounds (N = 55), but very few volatiles (N = 10). Almost all compounds found with the mobile GC-MS were also captured with TD tubes (94%). Hence, we recommend TD tubes for state of the art sampling of body odor of mammals or other vertebrates, particularly for field studies, as they can be easily transported, stored and analysed with high performance instruments in the lab. Nevertheless, cotton swabs capture compounds which still may contribute to the body odor, e.g. after bacterial fermentation, while profiles from mobile GC-MS include only the most abundant volatiles of the body odor. PMID:28841690

  19. Gluon Transport Equation with Effective Mass and Dynamical Onset of Bose-Einstein Condensation

    CERN Document Server

    Blaizot, Jean-Paul; Liao, Jinfeng

    2015-01-01

    We study the transport equation describing a dense system of gluons, in the small scattering angle approximation, taking into account medium-generated effective masses of the gluons. We focus on the case of overpopulated systems that are driven to Bose-Einstein condensation on their way to thermalization. The presence of a mass modifies the dispersion relation of the gluon, as compared to the massless case, but it is shown that this does not change qualitatively the scaling behavior in the vicinity of the onset.

  20. Traffic lanes for vehicles of mass public passenger transport on city streets

    Directory of Open Access Journals (Sweden)

    Gladović Pavle V.

    2015-01-01

    Full Text Available Some of the basic measures of regulating public mass passenger transport in a city network are the introduction and management of traffic lanes reserved for the public transportation. These traffic lanes are important for several reasons: faster moving and shorter travelling time for the vehicles, reducing operating costs, improving the safety, increasing passenger comfort, maintaining of the timetable quality, etc. In most cities, an intensive use of the public transport is concentrated in the morning and the afternoon peak period. The state of the public transport system during these periods is reflected in the crowds inside the vehicles, long vehicle queues at intersections and at bus stops, which cause congestion on the streets and result in delays of public transport vehicles. This paper provides an overview of the current situation on an example in the city of Belgrade. The capacity and the quality of service for the street surfaces reserved for the public transportation vehicles were analysed on the aforementioned example.

  1. Computing the time-continuous Optimal Mass Transport Problem without Lagrangian techniques

    CERN Document Server

    Besson, Olivier; Pousin, Jérôme

    2010-01-01

    This work originates from a heart's images tracking which is to generate an apparent continuous motion, observable through intensity variation from one starting image to an ending one both supposed segmented. Given two images p0 and p1, we calculate an evolution process p(t, \\cdot) which transports p0 to p1 by using the optimal extended optical flow. In this paper we propose an algorithm based on a fixed point formulation and a time-space least squares formulation of the mass conservation equation for computing the optimal mass transport problem. The strategy is implemented in a 2D case and numerical results are presented with a first order Lagrange finite element, showing the efficiency of the proposed strategy.

  2. New efficient optimal mass transport approach for single freeform surface design

    CERN Document Server

    Bösel, Christoph

    2015-01-01

    We present a new optimal mass transport approach for the design of a continuous single freeform surface for collimated beams. By applying the law of reflection/refraction and the well-known integrability condition, it is shown that the design process in a small angle approximation can be decoupled into the calculation of a raymapping by optimal mass transport methods and the subsequent construction of the freeform surface by a steady linear advection equation. It is shown that the solution of this linear advection equation can be obtained by a decomposition into two dimensional subproblems and solving these by standard integrals. The efficiency of the method is demonstrated by applying it to two challenging design examples.

  3. Can transport peak explain the low-mass enhancement of dileptons at RHIC?

    CERN Document Server

    Akamatsu, Yukinao; Hatsuda, Tetsuo; Hirano, Tetsufumi

    2011-01-01

    We propose a novel relation between the low-mass enhancement of dielectrons observed at PHENIX and transport coefficients of QGP such as the charge diffusion constant $D$ and the relaxation time $\\tau_{\\rm J}$. We parameterize the transport peak in the spectral function using the second-order relativistic dissipative hydrodynamics by Israel and Stewart. Combining the spectral function and the full (3+1)-dimensional hydrodynamical evolution with the lattice EoS, theoretical dielectron spectra and the experimental data are compared. Detailed analysis suggests that the low-mass dilepton enhancement originates mainly from the high-temperature QGP phase where there is a large electric charge fluctuation as obtained from lattice QCD simulations.

  4. Can transport peak explain the low-mass enhancement of dileptons at RHIC?

    Science.gov (United States)

    Akamatsu, Y.; Hamagaki, H.; Hatsuda, T.; Hirano, T.

    2011-12-01

    We propose a novel relation between the low-mass enhancement of dielectrons observed at PHENIX and transport coefficients of QGP such as the charge diffusion constant D and the relaxation time τJ. We parameterize the transport peak in the spectral function using the second-order relativistic dissipative hydrodynamics by Israel and Stewart. Combining the spectral function and the full (3+1)-dimensional hydrodynamical evolution with the lattice EoS, theoretical dielectron spectra and the experimental data are compared. Detailed analysis suggests that the low-mass dilepton enhancement originates mainly from the high-temperature QGP phase where there is a large electric charge fluctuation as obtained from lattice QCD simulations.

  5. A Twophase Multirate-Mass Transfer Model for Flow and Transport in Porous Media

    Science.gov (United States)

    Dentz, M.; Tecklenburg, J.; Neuweiler, I.; Carrera, J.

    2015-12-01

    We present an upscaled non-local model for two-phase flow and transport in highly heterogeneous porous media. The media under consideration are characterized by sharp contrasts in the hydraulic properties typical for fractured porous media, for example. A two-scale expansion gives an upscaled flow and transport formulation that models multiratemass transfer between mobile (fracture) and immobile (matrix) medium portions. The evolution of saturation due to viscous dominated flow in the mobile domain and mass exchange with the immobile zones through capillary countercurrent flow. The medium heterogeneity is mapped onto the mass transfer parameters, which are encoded in a memory functionthat describes the non-local flux between mobile and immobile zones. The upscaled model is parameterized by the medium heterogeneity and the distribution of hydraulic parameters. Breakthrough of the displaced fluidshows characteristic heavy tails due to fluid retention in immobile zones.

  6. Mass transport in a thin layer of power-law fluid in an Eulerian coordinate system

    Institute of Scientific and Technical Information of China (English)

    刘洁; 白玉川

    2016-01-01

    The mass transport velocity in a thin layer of muddy fluid is studied theoretically. The mud motion is driven by a periodic pressure load on the free surface, and the mud is described by a power-law model. Based on the key assumptions of the shallowness and the small deformation, a perturbation analysis is conducted up to the second order to find the mean Eulerian velocity in an Eulerian coordinate system. The numerical iteration method is adopted to solve these non-linear equations of the leading order. From the numerical results, both the first-order flow fields and the second-order mass transport velocities are examined. The verifications are made by comparing the numerical results with experimental results in the literature, and a good agreement is confirmed.

  7. Upscaling momentum and mass transport under Knudsen and binary diffusion gas slip conditions

    Science.gov (United States)

    Valdes-Parada, F. J.; Lasseux, D.

    2015-12-01

    Modeling of gas phase flow in porous media is relevant as it is present in a wide variety of applications ranging from nanofluidic systems to subsurface contaminant transport. In this work, we derive a macroscopic model to study slightly compressible gas flow in porous media for conditions in which the tangential fluid velocity undergoes a slip at the solid interface due to Knudsen effects and to mass diffusion in binary conditions. To this end, we use the method of volume averaging to derive the governing equations at the Darcy scale for both mass and momentum transport. The momentum transport model consists on a modification to Darcy's law due to mass dispersion and to total density gradients. For mass transport, the resulting model is the conventional convection-dispersion equation with two correction terms, one affecting convective transport and the second one affecting mass dispersion due to gas compressibility. The macroscopic model reduces to the one reported by Altevogt et al. (2003) for the case in which gas slip is only due to a concentration gradient and to the one by Lasseux et al. (2014) under Knudsen slip conditions. The model is written in terms of effective-medium coefficients that can be predicted from solving the associated closure problems in representative unit cells. For conditions in which the Péclet number is much greater than one and when the Knudsen number is not exceedingly small compared to the unity, our computations show that the predictions of the longitudinal dispersion may reach an error as high as 60% compared to the predictions obtained by ignoring gas slip. Altevogt A.S., Rolston D.E., Whitaker S. New equations for binary gas transport in porous media, Part 1: equation development. Advances in Water Resources, Vol. 26, 695-715, 2003. Lasseux D., Valdés-Parada F.J., Ochoa-Tapia J.A., Goyeau B. A macroscopic model for slightly compressible gas slip-flow in homogeneous porous media. Physics of Fluids, Vol. 26, 053102, 2014.

  8. Oxygenated volatile organic carbon in the western Pacific convective center: ocean cycling, air–sea gas exchange and atmospheric transport

    Directory of Open Access Journals (Sweden)

    C. Schlundt

    2017-09-01

    Full Text Available A suite of oxygenated volatile organic compounds (OVOCs – acetaldehyde, acetone, propanal, butanal and butanone were measured concurrently in the surface water and atmosphere of the South China Sea and Sulu Sea in November 2011. A strong correlation was observed between all OVOC concentrations in the surface seawater along the entire cruise track, except for acetaldehyde, suggesting similar sources and sinks in the surface ocean. Additionally, several phytoplankton groups, such as haptophytes or pelagophytes, were also correlated to all OVOCs, indicating that phytoplankton may be an important source of marine OVOCs in the South China and Sulu seas. Humic- and protein-like fluorescent dissolved organic matter (FDOM components seemed to be additional precursors for butanone and acetaldehyde. The measurement-inferred OVOC fluxes generally showed an uptake of atmospheric OVOCs by the ocean for all gases, except for butanal. A few important exceptions were found along the Borneo coast, where OVOC fluxes from the ocean to the atmosphere were inferred. The atmospheric OVOC mixing ratios over the northern coast of Borneo were relatively high compared with literature values, suggesting that this coastal region is a local hotspot for atmospheric OVOCs. The calculated amount of OVOCs entrained into the ocean seemed to be an important source of OVOCs to the surface ocean. When the fluxes were out of the ocean, marine OVOCs were found to be enough to control the locally measured OVOC distribution in the atmosphere. Based on our model calculations, at least 0.4 ppb of marine-derived acetone and butanone can reach the upper troposphere, where they may have an important influence on hydrogen oxide radical formation over the western Pacific Ocean.

  9. Assessing the fate of biodegradable volatile organic contaminants in unsaturated soil filter systems

    Science.gov (United States)

    Thullner, Martin; de Biase, Cecilia; Hanzel, Joanna; Reger, Daniel; Wick, Lukas; Oswald, Sascha; van Afferden, Manfred; Schmidt, Axel; Reiche, Nils; Jechalke, Sven

    2010-05-01

    The assessment of contaminant biodegradation in the subsurface is challenged by various abiotic processes leading to a reduction of contaminant concentration without a destructive mass removal of the contaminant. In unsaturated porous media, this interplay of processes is further complicated by volatilization. Many organic contaminants are sufficiently volatile to allow for significant fluxes from the water phase into the soil air, which can eventually lead to an emission of contaminants into the atmosphere. Knowledge of the magnitude of these emissions is thus required to evaluate the efficiency of bioremediation in such porous media and to estimate potential risks due to these emissions. In the present study, vertical flow constructed wetlands were investigated at the pilot scale as part of the SAFIRA II project. The investigated wetland system is intermittently irrigated by contaminated groundwater containing the volatile compounds benzene and MTBE. Measured concentration at the in- and outflow of the system demonstrate a high mass removal rate, but the highly transient flow and transport processes in the system challenge the quantification of biodegradation and volatilization and their contribution to the observed mass removal. By a combination of conservative solute tracer tests, stable isotope fractionation and measurements of natural radon concentration is the treated groundwater is was possible to determine the contribution of biodegradation and volatilization to total mass removal. The results suggest that for the investigated volatile compounds biodegradation is the dominating mass removal process with volatilization contributing only to minor or negligible amounts. These results can be confirmed by reactive transport simulations and were further supported by laboratory studies showing that also gas phase gradients of volatile compounds can be affected by biodegradation suggesting the unsaturated zone to act as a biofilter for contaminants in the soil air.

  10. Fast analysis of volatile components of Achillea tenuifolia Lam with microwave distillation followed by headspace single-drop microextraction coupled to gas chromatography-mass spectrometry (GC-MS).

    Science.gov (United States)

    Piryaei, Marzieh; Nazemiyeh, Hossein

    2016-01-01

    This article investigates the effect of microwaves on the amount of volatile compounds Achillea tenuifolia Lam with two methods, headspace single-drop microextraction and microwave-assisted headspace single-drop microextraction (MA-SDME), for the analysis of essential oil. Solvent selection, solvent volume, microwave power, irradiation time and sample mass were optimised by the simplex method.

  11. Solid phase extraction in combination with comprehensive two-dimensional gas chromatography coupled to time-of-flight mass spectrometry for the detailed investigation of volatiles in South African red wines

    NARCIS (Netherlands)

    Weldegergis, B.T.; Crouch, A.M.; Górecki, T.; Villiers, de A.

    2011-01-01

    Comprehensive two-dimensional gas chromatography in combination with time-of-flight mass spectrometry (GC × GC–TOFMS) has been applied for the analysis of volatile compounds in three young South African red wines. In spite of the significant benefits offered by GC × GC–TOFMS for the separation and

  12. Peroxy radicals and ozone photochemistry in air masses undergoing long-range transport

    Directory of Open Access Journals (Sweden)

    A. E. Parker

    2009-09-01

    Full Text Available Concentrations of peroxy radicals (HO2iRiO2 in addition to other trace gases were measured onboard the UK Meteorological Office/Natural Environment Research Council British Aerospace 146-300 atmospheric research aircraft during the Intercontinental Transport of Ozone and Precursors (ITOP campaign based at Horta Airport, Faial, Azores (38.58° N, 28.72° W in July/August 2004. The overall peroxy radical altitude profile displays an increase with altitude that is likely to have been impacted by the effects of long-range transport. The peroxy radical altitude profile for air classified as of marine origin shows no discernable altitude profile. A range of air-masses were intercepted with varying source signatures, including those with aged American and Asian signatures, air-masses of biomass burning origin, and those that originated from the east coast of the United States. Enhanced peroxy radical concentrations have been observed within this range of air-masses indicating that long-range transported air-masses traversing the Atlantic show significant photochemical activity. The net ozone production at clear sky limit is in general negative, and as such the summer mid-Atlantic troposphere is at limit net ozone destructive. However, there is clear evidence of positive ozone production even at clear sky limit within air masses undergoing long-range transport, and during ITOP especially between 5 and 5.5 km, which in the main corresponds to a flight that extensively sampled air with a biomass burning signature. Ozone production was NOx limited throughout ITOP, as evidenced by a good correlation (r2=0.72 between P(O3 and NO. Strong positive net ozone production has also been seen in varying source signature air-masses undergoing long-range transport, including but not limited to low-level export events, and export from the east coast of the United States.

  13. The Role of Thermal Convection in Heat and Mass Transport in the Subarctic Snow Cover

    Science.gov (United States)

    1991-10-01

    vapor diffusion have been developed (Bader et al. 1939, Yosida et al. 1955, Giddings and LaChapelle 1962, Yen 1963, de Quervain 1972, Palm and...not agree, other authors (Yosida et al. 1955, Yen 1963, de Quervain 1972, Palm and Tveitereid 1979, Fedoseeva and Fedoseev 1988) concluded that the...for the diffusion model to produce the measured mass transport. Yen (1963), de Quervain (1972), Palm and Tveitereid (1979), and Fedoseeva and Fedoseev

  14. Nanoparticle Traffic on Helical Tracks: Thermophoretic Mass Transport through Carbon Nanotubes

    DEFF Research Database (Denmark)

    Schoen, Philipp A.E.; Walther, Jens Honore; Arcidiacono, Salvatore

    2006-01-01

    Using molecular dynamics simulations, we demonstrate and quantify thermophoretic motion of solid gold nanoparticles inside carbon nanotubes subject to wall temperature gradients ranging from 0.4 to 25 K/nm. For temperature gradients below 1 K/nm, we find that the particles move "on tracks......" in a predictable fashion as they follow unique helical orbits depending on the geometry of the carbon nanotubes. These findings markedly advance our knowledge of mass transport mechanisms relevant to nanoscale applications....

  15. Mass Transport Modelling in low permeability Fractured Rock: Eulerian versus Lagrangian approaches.

    Science.gov (United States)

    Capilla, J. E.; Rodrigo, J.; Llopis, C.; Grisales, C.; Gomez-Hernandez, J. J.

    2003-04-01

    Modeling flow and mass transport in fractured rocks can not be always successfully addressed by means of discrete fracture models which can fail due to the difficulty to be calibrated to experimental measurements. This is due to the need of having an accurate knowledge of fractures geometry and of the bidimensional distribution of hydrodynamic parameters on them. Besides, these models tend to be too rigid in the sense of not being able to re-adapt themselves correcting deficiencies or errors in the fracture definition. An alternative approach is assuming a pseudo-continuum media in which fractures are represented by the introduction of discretization blocks of very high hydraulic conductivity (K). This kind of model has been successfully tested in some real cases where the stochastic inversion of the flow equation has been performed to obtain equally likely K fields. However, in this framework, Eulerian mass transport modeling yields numerical dispersion and oscillations that make very difficult the analysis of tracer tests and the inversion of concentration data to identify K fields. In this contribution we present flow and mass transport modelling results in a fractured medium approached by a pseudo-continuum. The case study considered is based on data from a low permeability formation and both Eulerian and Lagrangian approaches have been applied. K fields in fractures are modeled as realizations of a stochastic process conditional to piezometric head data. Both a MultiGaussian and a non-multiGaussian approches are evaluated. The final goal of this research is obtaining K fields able to reproduce field tracer tests. Results show the important numerical problems found when applying an Eurelian approach and the possibilities of avoiding them with a 3D implementation of the Lagrangian random walk method. Besides, we see how different can be mass transport predictions when Gaussian and non-Gaussian models are assumed for K fields in fractures.

  16. Mass transport phenomena during solidification in microgravity; preliminary results of the first Mephisto flight experiment

    Science.gov (United States)

    Favier, J. J.; Garandet, J. P.; Rouzaud, A.; Camel, D.

    1994-06-01

    The MEPHISTO space facility flew on the Columbia space shuttle in October 1992. The preliminary scientific results, mainly based on the analysis of the Seebeck signal, are presented in this paper. Valuable information was obtained for both planar and cellular solidification regimes. It is shown that mass transfer in the melt during the flight was principally diffusive; however, even in microgravity, slow growth rates may result in significant convective transport. A tentative interpretation of the Seebeck signal for destabilized interfaces is also proposed.

  17. Evaluation and optimization of mass transport of redox species in silicon microwire-array photoelectrodes

    OpenAIRE

    Xiang, Chengxiang; Meng, Andrew C.; Lewis, Nathan S.

    2012-01-01

    Physical integration of a Ag electrical contact internally into a metal/substrate/microstructured Si wire array/oxide/Ag/electrolyte photoelectrochemical solar cell has produced structures that display relatively low ohmic resistance losses, as well as highly efficient mass transport of redox species in the absence of forced convection. Even with front-side illumination, such wire-array based photoelectrochemical solar cells do not require a transparent conducting oxide top contact. In contac...

  18. Characterization of an electrochemical industrial size filterpress reactor by hydrodynamic and mass transport studies

    OpenAIRE

    Frías Ferrer, Ángel; González García, José; Conesa Ferrer, Juan Antonio; Gadea Ramos, Enrique; Expósito Rodríguez, Eduardo; García García, Vicente; Montiel Leguey, Vicente; Aldaz Riera, Antonio

    2001-01-01

    Comunicación presentada en Tracers and Tracing Methods 2001, Nancy, May 2001. This work deals with the study of the influence of turbulence promoters in hydrodynamic and mass transport behaviour of a filter-press type electrolyser with 3250 cm2 of electrode area (model REIM 3300 supplied by “I.D. Electroquímica”) in undivided configuration. A simple experimental arrangement was used to generate data from electrolytic conductivity measurements in a series of impulse-response exp...

  19. Mass balance inverse modelling of methane in the 1990s using a Chemistry Transport Model

    OpenAIRE

    T. M. Butler; Simmonds, I.; Rayner, P. J.

    2004-01-01

    International audience; A mass balance inverse modelling procedure is applied with a time-dependent methane concentration boundary condition and a chemical transport model to relate observed changes in the surface distribution of methane mixing ratios during the 1990s to changes in its surface sources. The model reproduces essential features of the global methane cycle, such as the latitudinal distribution and seasonal cycle of fluxes, without using a priori knowledge of methane fluxes. A det...

  20. Mass transport model of ions within biofilms under the effect of external field

    Institute of Scientific and Technical Information of China (English)

    WANG Jun; TANG Xue-xi

    2006-01-01

    A mass transport model was developed to predict the transport rate of ions within biofilms, which was experimentally verified using the fluxes ofNH4+ and Ca2+ through the heterotrophic biofilms with the thickness varying from 230 to 1430 μm under the effect of external field in the range of-20 V/m to 60 V/m. It is found that the result predicted by the model is in agreement with the experimentally obtained one, with the error less than 5 percent for the thin biofilms. The error increases with the increase of the biofilm thickness. The transport rate of ions caused by electric migration is affected by the charges, field strength, and biofilm thickness and so on.

  1. Mixing it up: Corals take an active role in mass transport

    Science.gov (United States)

    Fernandez, Vicente; Shapiro, Orr; Brumley, Douglas; Garren, Melissa; Guasto, Jeffrey; Kramarski-Winter, Esti; Vardi, Assaf; Stocker, Roman

    2014-11-01

    The growth and health of reef-building corals are limited by corals' ability to exchange nutrients and oxygen with the surrounding, sometimes quiescent, seawater. Mass transport in coral systems has long been considered to occur passively as a result of molecular diffusion and the ambient fluid flow over the coral. Through a combination of microscale visualization experiments and numerical modeling, we demonstrate instead that motile cilia densely covering the coral surface - previously thought to serve cleaning and feeding purposes- actively stir the coral boundary layer by generating persistent vortices above the coral surface. This active mixing was observed over a variety of corals with differing surface geometries. We have quantified the contribution of ciliary surface vortices to mass transport, finding oxygen flux enhancements of 2 to 3 orders of magnitude under environmentally relevant ambient flow conditions. These results reveal a new, active role of the coral animal in regulating its mass transport by engineering its local hydrodynamic environment, an ability that may have an important role in the evolutionary success of reef corals.

  2. The Impact of Microstructure Geometry on the Mass Transport in Artificial Pores: A Numerical Approach

    Directory of Open Access Journals (Sweden)

    Matthias Galinsky

    2014-01-01

    Full Text Available The microstructure of porous materials used in heterogeneous catalysis determines the mass transport inside networks, which may vary over many length scales. The theoretical prediction of mass transport phenomena in porous materials, however, is incomplete and is still not completely understood. Therefore, experimental data for every specific porous system is needed. One possible experimental technique for characterizing the mass transport in such pore networks is pulse experiments. The general evaluation of experimental outcomes of these techniques follows the solution of Fick’s second law where an integral and effective diffusion coefficient is recognized. However, a detailed local understanding of diffusion and sorption processes remains a challenge. As there is lack of proved models covering different length scales, existing classical concepts need to be evaluated with respect to their ability to reflect local geometries on the nanometer level. In this study, DSMC (Direct Simulation Monte Carlo models were used to investigate the impact of pore microstructures on the diffusion behaviour of gases. It can be understood as a virtual pulse experiment within a single pore or a combination of different pore geometries.

  3. Identification of aroma-active volatiles in banana Terra spirit using multidimensional gas chromatography with simultaneous mass spectrometry and olfactometry detection.

    Science.gov (United States)

    Capobiango, Michely; Mastello, Raíssa Bittar; Chin, Sung-Tong; Oliveira, Evelyn de Souza; Cardeal, Zenilda de Lourdes; Marriott, Philip John

    2015-04-03

    Fruit spirits have been produced and consumed throughout the world for centuries. However, the aroma composition of banana spirits is still poorly characterised. We have investigated the aroma-impact compounds of the banana Terra spirit for the first time, using multidimensional gas chromatography (MDGC and GC × GC) in a multi-hyphenated system - i.e., coupled to flame ionisation detection (FID), mass spectrometry (MS), and olfactometry (O). Solid-phase microextraction (SPME) was used to isolate the headspace aroma compounds of the banana spirit. The detection frequency (DF) technique was applied and aroma regions, detected in the first column separation at >60% Nasal Impact Frequency (NIF), were screened as target potent odour regions in the sample. Using a polar/non-polar phase column set, the potent odour regions were further subjected to MDGC separation with simultaneous O and MS detection for correlation of the aroma perception with MS data for individual resolved aroma-impact compounds. GC-O analysis enabled 18 aroma-impact regions to be located as providing volatiles of interest for further study; for example, those comprising perceptions of flower, whisky, green, amongst others. Compounds were tentatively identified through MS data matching and retention indices in both first and second dimensions. The principal volatile compounds identified in this work, which are responsible for the characteristic aroma of the banana spirit, are 3-methylbutan-1-ol, 3-methylbutan-1-ol acetate, 2-phenylethyl acetate and phenylethyl alcohol. This is the first such study to reveal the major aroma compounds that contribute to banana spirit aroma.

  4. On-line gas chromatography combustion/pyrolysis isotope ratio mass spectrometry (HRGC-C/P-IRMS) of pineapple (Ananas comosus L. Merr.) volatiles.

    Science.gov (United States)

    Preston, Christina; Richling, Elke; Elss, Sandra; Appel, Markus; Heckel, Frank; Hartlieb, Ariane; Schreier, Peter

    2003-12-31

    By use of extracts prepared by liquid-liquid separation of the volatiles from self-prepared juices of pineapple fruits (Ananas comosus) (n = 14) as well as commercial pineapple recovery aromas/water phases (n = 3), on-line capillary gas chromatography-isotope ratio mass spectrometry was employed in the combustion (C) and the pyrolysis (P) modes (HRGC-C/P-IRMS) to determine the delta(13)C(VPDB) and delta(2)H(VSMOW) values of selected pineapple flavor constituents. In addition to methyl 2-methylbutanoate 1, ethyl 2-methylbutanoate 2, methyl hexanoate 3, ethyl hexanoate 4, and 2,5-dimethyl-4-methoxy-3[2H]-furanone 5, each originating from the fruit, the delta(13)C(VPDB) and delta(2)H(VSMOW) data of commercial synthetic 1-5 and "natural" (biotechnologically derived) 1-4 were determined. With delta(13)C(VPDB) data of pineapple volatiles 1-4 varying from -12.8 to -24.4 per thousand, the range expected for CAM metabolism was observed. Compound 5 showed higher depletion from -20.9 to -28.6 per thousand. A similar situation was given for the delta(2)H(VSMOW) values of 3-5 from pineapple ranging from -118 to -191 per thousand, whereas 1 and 2 showed higher depleted values from -184 to -263 per thousand. In nearly all cases, analytical differentiation of 1-5 from pineapple and natural as well as synthetic origin was possible. In general, natural and synthetic 1-5 exhibited delta(13)C(VPDB) data ranging from -11.8 to -32.2 per thousand and -22.7 to -35.9 per thousand, respectively. Their delta(2)H(VSMOW) data were in the range from -242 to -323 per thousand and -49 to -163 per thousand, respectively.

  5. Detection of volatile compounds with mass-sensitive sensor arrays in the presence of variable ambient humidity.

    Science.gov (United States)

    Dickert, F L; Hayden, O; Zenkel, M E

    1999-04-01

    Mass-sensitive sensor arrays were established for the detection of isomeric or highly analogue analyte mixtures, which show similar physical and morphological properties. Supramolecular host-guest chemistry and arrays of four mass-sensitive quartz crystal microbalances have been successfully combined with multivariate calibration techniques in the presence of variable air moisture. This system enabled even the separation of xylene isomers [Formula: see text] a task that might be crucial even by gas chromatography. The data of the sensor arrays were analyzed with partial least squares and artificial neural networks. The xylene isomers could be detected with an accuracy of ∼1% in the range of 0-200 ppm, nearly eliminating the residual water cross-sensitivity of the sensor coatings, which allows effective work place or environmental monitoring of toxic compounds with fast response levels.

  6. High Sensitivity Analysis of Nanoliter Volumes of Volatile and Nonvolatile Compounds using Matrix Assisted Ionization (MAI) Mass Spectrometry

    Science.gov (United States)

    Hoang, Khoa; Pophristic, Milan; Horan, Andrew J.; Johnston, Murray V.; McEwen, Charles N.

    2016-10-01

    First results are reported using a simple, fast, and reproducible matrix-assisted ionization (MAI) sample introduction method that provides substantial improvements relative to previously published MAI methods. The sensitivity of the new MAI methods, which requires no laser, high voltage, or nebulizing gas, is comparable to those reported for MALDI-TOF and n-ESI. High resolution full acquisition mass spectra having low chemical background are acquired from low nanoliters of solution using only a few femtomoles of analyte. The limit-of-detection for angiotensin II is less than 50 amol on an Orbitrap Exactive mass spectrometer. Analysis of peptides, including a bovine serum albumin digest, and drugs, including drugs in urine without a purification step, are reported using a 1 μL zero dead volume syringe in which only the analyte solution wetting the walls of the syringe needle is used in the analysis.

  7. Mass Transfer Coefficients and Henry’s Constants for Packed-Tower Air Stripping of Volatile Organics: Measurements and Correlation.

    Science.gov (United States)

    1985-06-01

    Himmelblau , 1970; Onda et al., 1968; Liss and Martinelli, 1978; Smith et al., 1980). A surface-active substance (surfactant) can alter the rate of mass...i.1--,’ -:-- L’ Using a nonexperimental approach, Ferrell and Himmelblau (1967) noted another restriction in the...and Himmelblau (1964) cite the use of estimated molar volumes as one reason fo,- the deviation between experimental and calculated diffusi- vities

  8. Gas chromatography mass spectrometry computer analysis of volatile halogenated hydrocarbons in man and his environment--A multimedia environmental study.

    Science.gov (United States)

    Barkley, J; Bunch, J; Bursey, J T; Castillo, N; Cooper, S D; Davis, J M; Erickson, M D; Harris, B S; Kirkpatrick, M; Michael, L C; Parks, S P; Pellizzari, E D; Ray, M; Smith, D; Tomer, K B; Wagner, R; Zweidinger, R A

    1980-04-01

    As part of a study to make a comparative analysis of selected halogenated compounds in man and the environmental media, a quantitative gas chromatography mass spectrometric analysis of the levels of the halogenated compounds found in the breath, blood and urine of an exposed population (Old Love Canal area, Niagara, New York) and their immediate environment (air and water) was undertaken. In addition, levels of halogenated hydrocarbons in air samples taken in the general Buffalo, Niagara Falls area were determined.

  9. Determining the Levels of Volatile Organic Pollutants in Urban Air Using a Gas Chromatography-Mass Spectrometry Method

    OpenAIRE

    Simona Nicoara; Loris Tonidandel; Pietro Traldi; Jonathan Watson; Geraint Morgan; Ovidiu Popa

    2009-01-01

    The paper presents the application of a method based on coupled gas chromatography-mass spectrometry, using an isotopically labelled internal standard for the quantitative analysis of benzene (B), toluene (T), ethyl benzene (E), and o-, m-, p-xylenes (X). Their atmospheric concentrations were determined based on short-term sampling, in different sites of Cluj-Napoca, a highly populated urban centre in N-W Romania, with numerous and diversified road vehicles with internal combustion engines. T...

  10. Volatile selenium flux from the great Salt Lake, Utah

    Science.gov (United States)

    Diaz, X.; Johnson, W.P.; Oliver, W.A.; Naftz, D.L.

    2009-01-01

    The removal mechanisms that govern Se concentrations in the Great Salt Lake are unknown despite this terminal lake being an avian habitat of hemispheric importance. However, the volatilization flux of Se from the Great Salt Lake has not been previously measured due to challenges of analysis in this hypersaline environment This paper presents results from recent field studies examining the spatial distribution of dissolved volatile Se (areally and with depth) in the south arm (main body) of the Great Salt Lake. The analyses involved collection of dissolved volatile Se in a cryofocusing trap system via sparging with helium. The cryotrapped volatile Se was digested with nitric acid and analyzed by inductively coupled plasma mass spectrometry (ICP-MS). Results show concentrations of dissolved volatile Se that increase with depth in the shallow brine, suggesting that phytoplankton in the open waters and bioherms in shallow sites (transport models corrected to simulate the highly saline environment of the south arm of the Great Salt Lake. The estimated annual flux of volatile Se was 1455 kg/year within a range from 560 to 3780 kg Se/year for the 95% confidence interval and from 970 to 2180 kg Se/year within the 68% confidence interval. ?? 2009 American Chemical Society.

  11. Wave-induced mass transport affects daily Escherichia coli fluctuations in nearshore water

    Science.gov (United States)

    Ge, Zhongfu; Whitman, Richard L.; Nevers, Meredith B.; Phanikumar, Mantha S.

    2012-01-01

    Characterization of diel variability of fecal indicator bacteria concentration in nearshore waters is of particular importance for development of water sampling standards and protection of public health. Significant nighttime increase in Escherichia coli (E. coli) concentration in beach water, previously observed at marine sites, has also been identified in summer 2000 from fixed locations in waist- and knee-deep waters at Chicago 63rd Street Beach, an embayed, tideless, freshwater beach with low currents at night (approximately 0.015 m s–1). A theoretical model using wave-induced mass transport velocity for advection was developed to assess the contribution of surface waves to the observed nighttime E. coli replenishment in the nearshore water. Using average wave conditions for the summer season of year 2000, the model predicted an amount of E. coli transported from water of intermediate depth, where sediment resuspension occurred intermittently, that would be sufficient to have elevated E. coli concentration in the surf and swash zones as observed. The nighttime replenishment of E. coli in the surf and swash zones revealed here is an important phase in the cycle of diel variations of E. coli concentration in nearshore water. According to previous findings in Ge et al. (Environ. Sci. Technol. 2010, 44, 6731–6737), enhanced current circulation in the embayment during the day tends to displace and deposit material offshore, which partially sets up the system by the early evening for a new period of nighttime onshore movement. This wave-induced mass transport effect, although facilitating a significant base supply of material shoreward, can be perturbed or significantly influenced by high currents (orders of magnitude larger than a typical wave-induced mass transport velocity), current-induced turbulence, and tidal forcing.

  12. Chasing volatility

    DEFF Research Database (Denmark)

    Caporin, Massimiliano; Rossi, Eduardo; Santucci de Magistris, Paolo

    The realized volatility of financial returns is characterized by persistence and occurrence of unpreditable large increments. To capture those features, we introduce the Multiplicative Error Model with jumps (MEM-J). When a jump component is included in the multiplicative specification, the condi...... models, the introduction of the jump component provides a sensible improvement in the fit, as well as for in-sample and out-of-sample volatility tail forecasts....

  13. Volatility Risk

    OpenAIRE

    Zhiguang Wang

    2009-01-01

    Classical capital asset pricing theory tells us that riskaverse investors would require higher returns to compensate for higher risk on an investment. One type of risk is price (return) risk, which reflects uncertainty in the price level and is measured by the volatility (standard deviation) of asset returns. Volatility itself is also known to be random and hence is perceived as another type of risk. Investors can bear price risk in exchange for a higher return. But are investors willing to p...

  14. Coupled porohyperelastic mass transport (PHEXPT) finite element models for soft tissues using ABAQUS.

    Science.gov (United States)

    Vande Geest, Jonathan P; Simon, B R; Rigby, Paul H; Newberg, Tyler P

    2011-04-01

    Finite element models (FEMs) including characteristic large deformations in highly nonlinear materials (hyperelasticity and coupled diffusive/convective transport of neutral mobile species) will allow quantitative study of in vivo tissues. Such FEMs will provide basic understanding of normal and pathological tissue responses and lead to optimization of local drug delivery strategies. We present a coupled porohyperelastic mass transport (PHEXPT) finite element approach developed using a commercially available ABAQUS finite element software. The PHEXPT transient simulations are based on sequential solution of the porohyperelastic (PHE) and mass transport (XPT) problems where an Eulerian PHE FEM is coupled to a Lagrangian XPT FEM using a custom-written FORTRAN program. The PHEXPT theoretical background is derived in the context of porous media transport theory and extended to ABAQUS finite element formulations. The essential assumptions needed in order to use ABAQUS are clearly identified in the derivation. Representative benchmark finite element simulations are provided along with analytical solutions (when appropriate). These simulations demonstrate the differences in transient and steady state responses including finite deformations, total stress, fluid pressure, relative fluid, and mobile species flux. A detailed description of important model considerations (e.g., material property functions and jump discontinuities at material interfaces) is also presented in the context of finite deformations. The ABAQUS-based PHEXPT approach enables the use of the available ABAQUS capabilities (interactive FEM mesh generation, finite element libraries, nonlinear material laws, pre- and postprocessing, etc.). PHEXPT FEMs can be used to simulate the transport of a relatively large neutral species (negligible osmotic fluid flux) in highly deformable hydrated soft tissues and tissue-engineered materials.

  15. Mass-conservative reconstruction of Galerkin velocity fields for transport simulations

    Science.gov (United States)

    Scudeler, C.; Putti, M.; Paniconi, C.

    2016-08-01

    Accurate calculation of mass-conservative velocity fields from numerical solutions of Richards' equation is central to reliable surface-subsurface flow and transport modeling, for example in long-term tracer simulations to determine catchment residence time distributions. In this study we assess the performance of a local Larson-Niklasson (LN) post-processing procedure for reconstructing mass-conservative velocities from a linear (P1) Galerkin finite element solution of Richards' equation. This approach, originally proposed for a-posteriori error estimation, modifies the standard finite element velocities by imposing local conservation on element patches. The resulting reconstructed flow field is characterized by continuous fluxes on element edges that can be efficiently used to drive a second order finite volume advective transport model. Through a series of tests of increasing complexity that compare results from the LN scheme to those using velocity fields derived directly from the P1 Galerkin solution, we show that a locally mass-conservative velocity field is necessary to obtain accurate transport results. We also show that the accuracy of the LN reconstruction procedure is comparable to that of the inherently conservative mixed finite element approach, taken as a reference solution, but that the LN scheme has much lower computational costs. The numerical tests examine steady and unsteady, saturated and variably saturated, and homogeneous and heterogeneous cases along with initial and boundary conditions that include dry soil infiltration, alternating solute and water injection, and seepage face outflow. Typical problems that arise with velocities derived from P1 Galerkin solutions include outgoing solute flux from no-flow boundaries, solute entrapment in zones of low hydraulic conductivity, and occurrences of anomalous sources and sinks. In addition to inducing significant mass balance errors, such manifestations often lead to oscillations in concentration

  16. Mass transport in morphogenetic processes: A second gradient theory for volumetric growth and material remodeling

    Science.gov (United States)

    Ciarletta, P.; Ambrosi, D.; Maugin, G. A.

    2012-03-01

    In this work, we derive a novel thermo-mechanical theory for growth and remodeling of biological materials in morphogenetic processes. This second gradient hyperelastic theory is the first attempt to describe both volumetric growth and mass transport phenomena in a single-phase continuum model, where both stress- and shape-dependent growth regulations can be investigated. The diffusion of biochemical species (e.g. morphogens, growth factors, migration signals) inside the material is driven by configurational forces, enforced in the balance equations and in the set of constitutive relations. Mass transport is found to depend both on first- and on second-order material connections, possibly withstanding a chemotactic behavior with respect to diffusing molecules. We find that the driving forces of mass diffusion can be written in terms of covariant material derivatives reflecting, in a purely geometrical manner, the presence of a (first-order) torsion and a (second-order) curvature. Thermodynamical arguments show that the Eshelby stress and hyperstress tensors drive the rearrangement of the first- and second-order material inhomogeneities, respectively. In particular, an evolution law is proposed for the first-order transplant, extending a well-known result for inelastic materials. Moreover, we define the first stress-driven evolution law of the second-order transplant in function of the completely material Eshelby hyperstress. The theory is applied to two biomechanical examples, showing how an Eshelbian coupling can coordinate volumetric growth, mass transport and internal stress state, both in physiological and pathological conditions. Finally, possible applications of the proposed model are discussed for studying the unknown regulation mechanisms in morphogenetic processes, as well as for optimizing scaffold architecture in regenerative medicine and tissue engineering.

  17. An analytical model for volatile organic compound transport through a composite liner consisting of a geomembrane, a GCL, and a soil liner.

    Science.gov (United States)

    Xie, Haijian; Jiang, Yuansheng; Zhang, Chunhua; Feng, Shijin

    2015-02-01

    An analytical model for volatile organic compounds (VOCs) transport through a composite liner consisting of a geomembrane (GM), a geosynthetic clay liner (GCL), and a soil liner (SL) was developed for the assessment of the performance of this triple liner system. Both advection through the defects of GM and diffusion in the intact GM were considered in the model, and dimensionless analytical solution was obtained. The soil concentration profiles obtained by the proposed analytical solution have a good agreement with those obtained by the finite-layer-based software POLLUTE v7. The effects of leachate head, length of the connected wrinkles, and the interface transmissivity of GM/GCL on the breakthrough curves of the liner system were then investigated. Results show that the 30-year base flux of the liner system for the case with leachate head = 10 m and length of the connected wrinkles = 1,000 m can be over 60 times greater than that of the pure diffusion case. The length of the connected wrinkles of the GM has greater influence on the base flux of the liner system than on the base concentration. The interface transmissivity has negligible effect on the solute breakthrough curves of the liner system for relatively low values of the length of the connected wrinkles (e.g., liners.

  18. Measurement of fissile mass in large-size containers with a transportable linear accelerator

    Science.gov (United States)

    Romeyer Dherbey, Jacques; Lyoussi, A.; Buisson, A.

    1997-02-01

    The quantification of transuranic material (TRU) in waste packages is a common problem of countries working in the field of nuclear nondestructive inspection. The direct measurement of TRU mass inside large size closed containers is difficult due to several effects, mainly the matrix attenuation and uncertainty on the localization of the radioactive mass. The present document describes the method being developed to assay conditioned waste packages using a transportable linear accelerator which is called Mini- Linatron. The system uses a pulsed electron beam from the Mini-Linatron to produce high energy bremsstrahlung photon bursts from thin metallic converter. The transportable linear accelerator operates at 6, 9 and 11 MeV with a repetition rate between 10 to 300 Hz and a 4.5 microsecond(s) pulse duration. The maximum gamma dose rate is about 23 Gy/mn at 1 m. The photons induce fission in fissile and fertile nuclei. We counted delayed neutrons emitted after each pulse by using Sequential Photon Interrogation and Neutron Counting Signatures technique which has ben developed in this framework. Results of measurements on an experimental active gamma interrogation facility for embedded intermediate and low level wastes are presented. Finally, the advantages and performances of the photofission interrogation technique, the use of a transportable electron linear accelerator as a particle source, and the experimental and electronic details will be discussed.

  19. Dynamic headspace solid-phase microextraction combined with one-dimensional gas chromatography-mass spectrometry as a powerful tool to differentiate banana cultivars based on their volatile metabolite profile.

    Science.gov (United States)

    Pontes, Marisela; Pereira, Jorge; Câmara, José S

    2012-10-15

    In this study the effect of the cultivar on the volatile profile of five different banana varieties was evaluated and determined by dynamic headspace solid-phase microextraction (dHS-SPME) combined with one-dimensional gas chromatography-mass spectrometry (1D-GC-qMS). This approach allowed the definition of a volatile metabolite profile to each banana variety and can be used as pertinent criteria of differentiation. The investigated banana varieties (Dwarf Cavendish, Prata, Maçã, Ouro and Platano) have certified botanical origin and belong to the Musaceae family, the most common genomic group cultivated in Madeira Island (Portugal). The influence of dHS-SPME experimental factors, namely, fibre coating, extraction time and extraction temperature, on the equilibrium headspace analysis was investigated and optimised using univariate optimisation design. A total of 68 volatile organic metabolites (VOMs) were tentatively identified and used to profile the volatile composition in different banana cultivars, thus emphasising the sensitivity and applicability of SPME for establishment of the volatile metabolomic pattern of plant secondary metabolites. Ethyl esters were found to comprise the largest chemical class accounting 80.9%, 86.5%, 51.2%, 90.1% and 6.1% of total peak area for Dwarf Cavendish, Prata, Ouro, Maçã and Platano volatile fraction, respectively. Gas chromatographic peak areas were submitted to multivariate statistical analysis (principal component and stepwise linear discriminant analysis) in order to visualise clusters within samples and to detect the volatile metabolites able to differentiate banana cultivars. The application of the multivariate analysis on the VOMs data set resulted in predictive abilities of 90% as evaluated by the cross-validation procedure.

  20. Emissions and ambient distributions of Biogenic Volatile Organic Compounds (BVOC in a Ponderosa pine ecosystem: interpretation of PTR-MS mass spectra

    Directory of Open Access Journals (Sweden)

    S. Kim

    2009-10-01

    Full Text Available Two proton-transfer-reaction mass spectrometry systems were deployed at the Bio-hydro-atmosphere interactions of Energy, Aerosols, Carbon, H2O, Organics and Nitrogen-Southern Rocky Mountain 2008 field campaign (BEACHON-SRM08; July to September 2008 at the Manitou Forest observatory in a Ponderosa pine woodland near Woodland Park, Colorado USA to simultaneously measure BVOC emissions and ambient distributions of their oxidation products. Here, we present mass spectral analysis in a wide range of masses (m/z=40+ to 210+ to assess our understanding of BVOC emissions and their photochemical process inside of the forest canopy. The biogenic terpenoids, 2-methyl-3-butene-2-ol (MBO, 50.2% and several monoterpenes (MT, 33.5% were identified as the dominant BVOC emissions from a transmission corrected mass spectrum, averaged over the daytime (11 am to 3 p.m., local time of three days. To assess contributions of oxidation products of local BVOC, we calculate a oxidation product spectrum with the OH- and ozone-initiated oxidation product distribution mass spectra of two major BVOC at the ecosystem (MBO and β-pinene that were observed from laboratory oxidation experiments. A majority (~73% of the total signal could be explained by known compounds. The remainder are attributed to oxidation products of BVOC, emitted from nearby ecosystems and transported to the site, and oxidation products of unidentified BVOC emitted from the Ponderosa pine ecosystem.

  1. Identification by gas chromatography-mass spectrometry of the volatile organic compounds emitted from the wood-rotting fungi Serpula lacrymans and Coniophora puteana, and from Pinus sylvestris timber.

    Science.gov (United States)

    Ewen, Richard J; Jones, Peter R H; Ratcliffe, Norman M; Spencer-Phillips, Peter T N

    2004-07-01

    Volatile organic compounds (VOCs) emitted by two wood-rotting basidiomycete fungi, Serpula lacrymans (dry rot fungus) and Coniophora puteana (cellar fungus), and the timber of Pinus sylvestris (Scots pine), were identified. Several volatile collection techniques were employed including dichloromethane solvent extraction, solid-phase microextraction (SPME) and thermal desorption of VOCs entrained on Tenax GR. In addition, a new method of solid sample injection (SSI) is described which utilises a low injector temperature and an all-glass deactivated injector liner designed to minimise both the formation of pyrolysis products and analyte degradation. All the volatile compounds collected were analysed using electron impact capillary gas chromatography-mass spectrometry (GC-MS) on HP-5, HP-Innowax and beta-cyclodextrin columns. SSI and Tenax thermal desorption were found to be the most effective extraction methods. A total of 19 VOCs were observed from S. lacrymans grown on glass slides and pine, 15 from C. puteana grown on glass slides and 12 from P. sylvestris timber. S. lacrymans was found to emit, in low abundance, six unique VOCs, of which 2-methylbutanal was the greatest. The major volatile compound emitted by S. lacrymans was 1-octen-3-ol, which was also found in lower abundance from C. puteana. Six VOCs, including diethylene glycol and 4-methyl methylbenzoate, were found to be unique to C. puteana, all in medium abundance: From P. sylvestris, the major volatiles identified were S-alpha-pinene and 3-carene.

  2. Application of dispersive liquid-liquid microextraction and gas chromatography with mass spectrometry for the determination of oxygenated volatile organic compounds in effluents from the production of petroleum bitumen.

    Science.gov (United States)

    Boczkaj, Grzegorz; Makoś, Patrycja; Przyjazny, Andrzej

    2016-07-01

    We present a new procedure for the determination of oxygenated volatile organic compounds in samples of postoxidative effluents from the production of petroleum bitumens using dispersive liquid-liquid microextraction and gas chromatography with mass spectrometry. The eight extraction parameters were optimized for 43 oxygenated volatile organic compounds. The detection limits obtained ranged from 0.07 to 0.82 μg/mL for most of the analytes, the precision was good (relative standard deviation below 2.91% at the 5 μg/mL level and 4.75% at the limit of quantification), the recoveries for the majority of compounds varied from 70.6 to 118.9%, and the linear range was wide, which demonstrates the usefulness of the procedure. The developed procedure was used for the determination of oxygenated volatile organic compounds in samples of raw postoxidative effluents and in effluents after chemical treatment. In total, 23 compounds at concentration levels from 0.37 to 32.95 μg/mL were identified in real samples. The same samples were also analyzed in the SCAN mode, which resulted in four more phenol derivatives being identified and tentatively determined. The studies demonstrated the need for monitoring volatile organic compounds content in effluents following various treatments due to the formation of secondary oxygenated volatile organic compounds.

  3. Oligomers Modulate Interfibril Branching and Mass Transport Properties of Collagen Matrices

    Science.gov (United States)

    Whittington, Catherine F.; Brandner, Eric; Teo, Ka Yaw; Han, Bumsoo; Nauman, Eric; Voytik-Harbin, Sherry L.

    2013-01-01

    Mass transport within collagen-based matrices is critical to tissue development, repair, and pathogenesis as well as the design of next generation tissue engineering strategies. This work shows how collagen precursors, specified by intermolecular cross-link composition, provide independent control of collagen matrix mechanical and transport properties. Collagen matrices were prepared from tissue-extracted monomers or oligomers. Viscoelastic behavior was measured in oscillatory shear and unconfined compression. Matrix permeability and diffusivity were measured using gravity-driven permeametry and integrated optical imaging, respectively. Both collagen types showed an increase in stiffness and permeability hindrance with increasing collagen concentration (fibril density); however, different physical property-concentration relationships were noted. Diffusivity wasn’t affected by concentration for either collagen type over the range tested. In general, oligomer matrices exhibited a substantial increase in stiffness and only a modest decrease in transport properties when compared to monomer matrices prepared at the same concentration. The observed differences in viscoelastic and transport properties were largely attributed to increased levels of interfibril branching within oligomer matrices. The ability to relate physical properties to relevant microstructure parameters, including fibril density and interfibril branching, is expected to advance the understanding of cell-matrix signaling as well as facilitate model-based prediction and design of matrix-based therapeutic strategies. PMID:23842082

  4. Mass and charge transport in micro and nano-fluidic channels

    CERN Document Server

    Mortensen, N A; Okkels, F; Bruus, H

    2006-01-01

    We consider laminar flow of incompressible electrolytes in long, straight channels driven by pressure and electro-osmosis. We use a Hilbert space eigenfunction expansion to address the general problem of an arbitrary cross section and obtain general results in linear-response theory for the mass and charge transport coefficients which satisfy Onsager relations. In the limit of non-overlapping Debye layers the transport coefficients are simply expressed in terms of parameters of the electrolyte as well as the hydraulic radius R=2A/P with A and P being the cross-sectional area and perimeter, respectively. In articular, we consider the limits of thin non-overlapping as well as strongly overlapping Debye layers, respectively, and calculate the corrections to the hydraulic resistance due to electro-hydrodynamic interactions.

  5. Effective Heat and Mass Transport Properties of Anisotropic Porous Ceria for Solar Thermochemical Fuel Generation

    Directory of Open Access Journals (Sweden)

    Sophia Haussener

    2012-01-01

    Full Text Available High-resolution X-ray computed tomography is employed to obtain the exact 3D geometrical configuration of porous anisotropic ceria applied in solar-driven thermochemical cycles for splitting H2O and CO2. The tomography data are, in turn, used in direct pore-level numerical simulations for determining the morphological and effective heat/mass transport properties of porous ceria, namely: porosity, specific surface area, pore size distribution, extinction coefficient, thermal conductivity, convective heat transfer coefficient, permeability, Dupuit-Forchheimer coefficient, and tortuosity and residence time distributions. Tailored foam designs for enhanced transport properties are examined by means of adjusting morphologies of artificial ceria samples composed of bimodal distributed overlapping transparent spheres in an opaque medium.

  6. Effective Heat and Mass Transport Properties of Anisotropic Porous Ceria for Solar Thermochemical Fuel Generation.

    Science.gov (United States)

    Haussener, Sophia; Steinfeld, Aldo

    2012-01-19

    High-resolution X-ray computed tomography is employed to obtain the exact 3D geometrical configuration of porous anisotropic ceria applied in solar-driven thermochemical cycles for splitting H2O and CO2. The tomography data are, in turn, used in direct pore-level numerical simulations for determining the morphological and effective heat/mass transport properties of porous ceria, namely: porosity, specific surface area, pore size distribution, extinction coefficient, thermal conductivity, convective heat transfer coefficient, permeability, Dupuit-Forchheimer coefficient, and tortuosity and residence time distributions. Tailored foam designs for enhanced transport properties are examined by means of adjusting morphologies of artificial ceria samples composed of bimodal distributed overlapping transparent spheres in an opaque medium.

  7. Particle-based simulations of steady-state mass transport at high P\\'eclet numbers

    CERN Document Server

    Müller, Thomas; Rajah, Luke; Cohen, Samuel I A; Yates, Emma V; Vendruscolo, Michele; Dobson, Chrisopher M; Knowles, Tuomas P J

    2015-01-01

    Conventional approaches for simulating steady-state distributions of particles under diffusive and advective transport at high P\\'eclet numbers involve solving the diffusion and advection equations in at least two dimensions. Here, we present an alternative computational strategy by combining a particle-based rather than a field-based approach with the initialisation of particles in proportion to their flux. This method allows accurate prediction of the steady state and is applicable even at high P\\'eclet numbers where traditional particle-based Monte-Carlo methods starting from randomly initialised particle distributions fail. We demonstrate that generating a flux of particles according to a predetermined density and velocity distribution at a single fixed time and initial location allows for accurate simulation of mass transport under flow. Specifically, upon initialisation in proportion to their flux, these particles are propagated individually and detected by summing up their Monte-Carlo trajectories in p...

  8. Ion-neutral transport through quadrupole interfaces of mass-spectrometer systems

    Energy Technology Data Exchange (ETDEWEB)

    Jugroot, M.; Groth, C.P.T. [Univ. of Toronto, Inst. for Aerospace Studies, Toronto, Ontario (Canada)]. E-mail: jugroot@utias.utoronto.ca; groth@utias.utoronto.ca; Thomson, B.A.; Baranov, V.; Collings, B.A.; French, J.B. [MDS SCIEX, Concord, Ontario (Canada)

    2004-07-01

    The transport of free ions through highly under-expanded jet flows of neutral gases and in the presence of applied electric fields is investigated by continuum-based numerical simulations. In particular, numerical results are described which are relevant to ion flows occurring in quadrupole interfaces of mass spectrometer systems. A five-moment mathematical model and parallel multi-block numerical solution procedure is developed for predicting the ion transport. The model incorporates the effects of ion-neutral collision processes and is used in conjunction with a Navier-Stokes model and flow solver for the neutral gas to examine the key influences controlling the ion motion. The effects of the neutral gas flow, electric fields (both dc and rf), and flow field geometry on ion mobility are carefully assessed. The capability of controlling the charged particle motions through a combination of directed neutral flow and applied electric field is demonstrated for these high-speed, hypersonic, jet flows. (author)

  9. Numerical investigation of ion transport in the interface region of mass spectrometers

    Energy Technology Data Exchange (ETDEWEB)

    Jugroot, M.; Groth, C.P.T. [Univ. of Toronto, Inst. for Aerospace Studies, Toronto, Ontario (Canada)]. E-mail: jugroot@utias.utoronto.ca; groth@utias.utoronto.ca; Thomson, B.A.; Baranov, V.; Collings, B.A. [MDS SCIEX, Concord, Ontario (Canada)

    2003-07-01

    The transport of free ions through highly under-expanded jet flows of neutral gases and in the presence of applied electric fields is investigated by continuum-based numerical simulations. A five-moment mathematical model and parallel multi-block numerical solution procedure is developed for predicting the ion transport. The model incorporates the effects of ion-neutral collision processes and is used in conjunction with a Navier-Stokes model and flow solver for the neutral gas to examine the key features of the ion motion. The influences of the neutral gas flow, electric field, and flow field geometry on ion mobility are all carefully assessed. Numerical results are given which are relevant to the ion flows occurring in the interface regions of mass spectrometer systems. (author)

  10. Dynamo magnetic field-induced angular momentum transport in protostellar nebulae - The 'minimum mass' protosolar nebula

    Science.gov (United States)

    Stepinski, T. F.; Levy, E. H.

    1990-01-01

    Magnetic torques can produce angular momentum redistribution in protostellar nebulas. Dynamo magnetic fields can be generated in differentially rotating and turbulent nebulas and can be the source of magnetic torques that transfer angular momentum from a protostar to a disk, as well as redistribute angular momentum within a disk. A magnetic field strength of 100-1000 G is needed to transport the major part of a protostar's angular momentum into a surrounding disk in a time characteristic of star formation, thus allowing formation of a solar-system size protoplanetary nebula in the usual 'minimum-mass' model of the protosolar nebula. This paper examines the possibility that a dynamo magnetic field could have induced the needed angular momentum transport from the proto-Sun to the protoplanetary nebula.

  11. Dynamo magnetic field-induced angular momentum transport in protostellar nebulae - The minimum mass protosolar nebula

    Energy Technology Data Exchange (ETDEWEB)

    Stepinski, T.F.; Levy, E.H. (Arizona Univ., Tucson (USA))

    1990-02-01

    Magnetic torques can produce angular momentum redistribution in protostellar nebulas. Dynamo magnetic fields can be generated in differentially rotating and turbulent nebulas and can be the source of magnetic torques that transfer angular momentum from a protostar to a disk, as well as redistribute angular momentum within a disk. A magnetic field strength of 100-1000 G is needed to transport the major part of a protostar's angular momentum into a surrounding disk in a time characteristic of star formation, thus allowing formation of a solar-system size protoplanetary nebula in the usual minimum-mass model of the protosolar nebula. This paper examines the possibility that a dynamo magnetic field could have induced the needed angular momentum transport from the proto-Sun to the protoplanetary nebula. 32 refs.

  12. ENERGY AND MASS TRANSPORT PROCESSES IN THE GRANULAR BED OF AN INDIRECTLY HEATED ROTARY KILN

    Institute of Scientific and Technical Information of China (English)

    Wolfgang Klose; Arndt-Peter Schinkel

    2004-01-01

    The transport mechanisms of momentum, mass, species, and energy are investigated in detail for the rotary kiln process. The residence time prediction of the granular bed is well improved by considering different flow patterns in the drum. Introducing a mixed flow pattem of the basic slipping and slumping behaviour has the most important effect on the improvement of the residence time prediction. The granular bed is assumed to behave as a Bingham fluid in the active layer of the bed. The transport mechanisms of momentum, species, and energy are modelled on the basis of this assumption and using the kinetic gas theory. Additionally, a mathematical transformation is presented to save computational time. The model results of the temperature field are in very good agreement with experimental data.

  13. Analytical solutions for transport processes fluid mechanics, heat and mass transfer

    CERN Document Server

    Brenn, Günter

    2017-01-01

    This book provides analytical solutions to a number of classical problems in transport processes, i.e. in fluid mechanics, heat and mass transfer. Expanding computing power and more efficient numerical methods have increased the importance of computational tools. However, the interpretation of these results is often difficult and the computational results need to be tested against the analytical results, making analytical solutions a valuable commodity. Furthermore, analytical solutions for transport processes provide a much deeper understanding of the physical phenomena involved in a given process than do corresponding numerical solutions. Though this book primarily addresses the needs of researchers and practitioners, it may also be beneficial for graduate students just entering the field. .

  14. Determining the Levels of Volatile Organic Pollutants in Urban Air Using a Gas Chromatography-Mass Spectrometry Method

    Directory of Open Access Journals (Sweden)

    Simona Nicoara

    2009-01-01

    Full Text Available The paper presents the application of a method based on coupled gas chromatography-mass spectrometry, using an isotopically labelled internal standard for the quantitative analysis of benzene (B, toluene (T, ethyl benzene (E, and o-, m-, p-xylenes (X. Their atmospheric concentrations were determined based on short-term sampling, in different sites of Cluj-Napoca, a highly populated urban centre in N-W Romania, with numerous and diversified road vehicles with internal combustion engines. The method is relatively inexpensive and simple and shows good precision and linearity in the ranges of 7–60 μg/m3 (B, 13–90 μg/m3 (T, 7–50 μg/m3 (E, 10–70 μg/m3 (X-m,p, and 20–130 μg/m3 (X-o. The limits of quantitation/detection of the method LOQ/LOD are of 10/5 μg/m3 (Xo, 5/3 μg/m3 (B, E, X-m,p, and of 3/1 μg/m3 (T, respectively.

  15. A mercury transport and fate model (LM2-mercury) for mass budget assessment of mercury cycling in Lake Michigan

    Science.gov (United States)

    LM2-Mercury, a mercury mass balance model, was developed to simulate and evaluate the transport, fate, and biogeochemical transformations of mercury in Lake Michigan. The model simulates total suspended solids (TSS), disolved organic carbon (DOC), and total, elemental, divalent, ...

  16. Identification of volatile organic compounds (VOCs in different colour carrot (Daucus carota L. cultivars using static headspace/gas chromatography/mass spectrometry

    Directory of Open Access Journals (Sweden)

    Zehra Güler

    2015-12-01

    Full Text Available Volatile organic compounds (VOCs as well as sugar and acid contents affect carrot flavour. This study compared VOCs in 11 carrot cultivars. Gas chromatography/mass spectrometry using static headspace technique was applied to analyse the VOCs. The number of VOCs per sample ranged from 17 to 31. The primarily VOCs identified in raw carrots with the exception of “Yellow Stone” were terpenes, ranging from 65 to 95%. The monoterpenes with values ranging from 31 to 89% were higher than those (from 2 to 15% of sesquiterpenes. Monoterpene α-terpinolene (with ranging from 23 to 63% and (--α-pinene (26%, and alcohol ethanol (35% was the main VOC in extracts from the nine carrot cultivars, “Purple” and “Yellow Stone”, respectively. As a result, among 16 identified monoterpenes, 7 monoterpenes (--α-pinene, (--β-pinene, β-myrcene, d-limonene, γ-terpinene, α-terpinolene and p-cymene constituted more than 60% of total VOCs identified in carrots including “Atomic Red”, “Nantes”, “Cosmic Purple”, “Red Samurai”, “Eregli Black”, “White Satin”, “Parmex” and “Baby Carrot”. Thus, these cultivars may advise to carrot breeders due to the beneficial effects of terpenes, especially monoterpenes on health.

  17. Determination of volatile components of saffron by optimised ultrasound-assisted extraction in tandem with dispersive liquid-liquid microextraction followed by gas chromatography-mass spectrometry.

    Science.gov (United States)

    Sereshti, Hassan; Heidari, Reza; Samadi, Soheila

    2014-01-15

    In the present research, a combined extraction method of ultrasound-assisted extraction (UAE) in conjunction with dispersive liquid-liquid microextraction (DLLME) was applied to isolation and enrichment of saffron volatiles. The extracted components of the saffron were separated and determined by gas chromatography-mass spectrometry (GC-MS) technique. The mixture of methanol/acetonitrile was chosen for the extraction of the compounds and chloroform was used at the preconcentration stage. The important parameters, such as composition of extraction solvent, volume of preconcentration solvent, ultrasonic applying time, and salt concentration were optimised by using a half-fraction factorial central composite design (CCD). Under the optimal conditions, the linear dynamic ranges (LDRs) were 10-10,000mgL(-)(1). The determination coefficients (R(2)) were from 0.9990 to 0.9997. The limits of detection (LODs) and limits of quantification (LOQs) for the extracted compounds were 6-123mgL(-)(1) and 20-406mgL(-)(1), respectively. The relative standard deviations (RSDs) were 2.48-9.82% (n=3). The enhancement factors (EFs) were 3.6-41.3.

  18. Identification of volatile butyl rubber thermal-oxidative degradation products by cryofocusing gas chromatography/mass spectrometry (cryo-GC/MS).

    Energy Technology Data Exchange (ETDEWEB)

    Smith, Jonell Nicole; White, Michael Irvin; Bernstein, Robert; Hochrein, James Michael

    2013-02-01

    Chemical structure and physical properties of materials, such as polymers, can be altered as aging progresses, which may result in a material that is ineffective for its envisioned intent. Butyl rubber formulations, starting material, and additives were aged under thermal-oxidative conditions for up to 413 total days at up to 124 ÀC. Samples included: two formulations developed at Kansas City Plant (KCP) (#6 and #10), one commercially available formulation (#21), Laxness bromobutyl 2030 starting material, and two additives (polyethylene AC-617 and Vanax MBM). The low-molecular weight volatile thermal-oxidative degradation products that collected in the headspace over the samples were preconcentrated, separated, and detected using cryofocusing gas chromatography mass spectrometry (cryo-GC/MS). The majority of identified degradation species were alkanes, alkenes, alcohols, ketones, and aldehydes. Observations for Butyl #10 aged in an oxygen-18 enriched atmosphere (18O2) were used to verify when the source of oxygen in the applicable degradation products was from the gaseous environment rather than the polymeric mixture. For comparison purposes, Butyl #10 was also aged under non-oxidative thermal conditions using an argon atmosphere.

  19. Real-time monitoring of respiratory absorption factors of volatile organic compounds in ambient air by proton transfer reaction time-of-flight mass spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Huang, Zhonghui [State Key Laboratory of Organic Geochemistry and Guangdong Key Laboratory of Environmental Protection and Resources Utilization, Guangzhou Institute of Geochemistry, Chinese Academy of Sciences, Guangzhou 510640 (China); University of Chinese Academy of Sciences, Beijing 100049 (China); Zhang, Yanli [State Key Laboratory of Organic Geochemistry and Guangdong Key Laboratory of Environmental Protection and Resources Utilization, Guangzhou Institute of Geochemistry, Chinese Academy of Sciences, Guangzhou 510640 (China); Center for Excellence in Urban Atmospheric Environment, Institute of Urban Environment, Chinese Academy of Sciences, Xiamen 361021 (China); Yan, Qiong [Department of Respiratory Diseases, Guangzhou No. 12 People' s Hospital, Guangzhou 510620 (China); Zhang, Zhou [State Key Laboratory of Organic Geochemistry and Guangdong Key Laboratory of Environmental Protection and Resources Utilization, Guangzhou Institute of Geochemistry, Chinese Academy of Sciences, Guangzhou 510640 (China); Wang, Xinming, E-mail: wangxm@gig.ac.cn [State Key Laboratory of Organic Geochemistry and Guangdong Key Laboratory of Environmental Protection and Resources Utilization, Guangzhou Institute of Geochemistry, Chinese Academy of Sciences, Guangzhou 510640 (China); Center for Excellence in Urban Atmospheric Environment, Institute of Urban Environment, Chinese Academy of Sciences, Xiamen 361021 (China)

    2016-12-15

    Respiratory absorption factors (AFs) are essential parameters in the evaluation of human health risks from toxic volatile organic compounds (VOCs) in ambient air. A method for the real time monitoring of VOCs in inhaled and exhaled air by proton transfer reaction time-of-flight mass spectrometry (PTR-TOF-MS) has been developed to permit the calculation of respiratory AFs of VOCs. Isoprene was found to be a better breath tracer than O{sub 2}, CO{sub 2}, humidity, or acetone for distinguishing between the expiratory and inspiratory phases, and a homemade online breath sampling device with a buffer tube was used to optimize signal peak shapes. Preliminary tests with seven subjects exposed to aromatic hydrocarbons in an indoor environment revealed mean respiratory AFs of 55.0%, 55.9%, and 66.9% for benzene, toluene, and C8-aromatics (ethylbenzene and xylenes), respectively. These AFs were lower than the values of 90% or 100% used in previous studies when assessing the health risks of inhalation exposure to hazardous VOCs. The mean respiratory AFs of benzene, toluene and C8-aromatics were 66.5%, 70.2% and 82.3% for the three female subjects; they were noticeably much higher than that of 46.4%, 45.2% and 55.3%, respectively, for the four male subjects.

  20. Analysis of selected volatile organic compounds in split and nonsplit swiss cheese samples using selected-ion flow tube mass spectrometry (SIFT-MS).

    Science.gov (United States)

    Castada, Hardy Z; Wick, Cheryl; Taylor, Kaitlyn; Harper, W James

    2014-04-01

    Splits/cracks are recurring product defects that negatively affect the Swiss cheese industry. Investigations to understand the biophysicochemical aspects of these defects, and thus determine preventive measures against their occurrence, are underway. In this study, selected-ion, flow tube mass spectrometry was employed to determine the volatile organic compound (VOC) profiles present in the headspace of split compared with nonsplit cheeses. Two sampling methodologies were employed: split compared with nonsplit cheese vat pair blocks; and comparison of blind, eye, and split segments within cheese blocks. The variability in VOC profiles was examined to evaluate the potential biochemical pathway chemistry differences within and between cheese samples. VOC profile inhomogeneity was most evident in cheeses between factories. Evaluation of biochemical pathways leading to the formation of key VOCs differentiating the split from the blind and eye segments within factories indicated release of additional carbon dioxide by-product. These results suggest a factory-dependent cause of split formation that could develop from varied fermentation pathways in the blind, eye, and split areas within a cheese block. The variability of VOC profiles within and between factories exhibit varied biochemical fermentation pathways that could conceivably be traced back in the making process to identify parameters responsible for split defect.

  1. Measurement of toxic volatile organic compounds in indoor air of semiconductor foundries using multisorbent adsorption/thermal desorption coupled with gas chromatography-mass spectrometry.

    Science.gov (United States)

    Wu, Chien-Hou; Lin, Ming-Nan; Feng, Chien-Tai; Yang, Kuang-Ling; Lo, Yu-Shiu; Lo, Jiunn-Guang

    2003-05-09

    A method for the qualitative and quantitative analysis of volatile organic compounds (VOCs) in the air of class-100 clean rooms at semiconductor fabrication facilities was developed. Air samples from two semiconductor factories were collected each hour on multisorbent tubes (including Carbopack B, Carbopack C, and Carbosieve SIII) with a 24-h automatic active sampling system and analyzed using adsorption/thermal desorption coupled with gas chromatography-mass spectrometry. Experimental parameters, including thermal desorption temperature, desorption time, and cryofocusing temperature, were optimized. The average recoveries and the method detection limits for the target compounds were in the range 94-101% and 0.31-0.89 ppb, respectively, under the conditions of a 1 L sampling volume and 80% relative humidity. VOCs such as acetone, isopropyl alcohol, 2-heptanone, and toluene, which are commonly used in the semiconductor and electronics industries, were detected and accurately quantified with the established method. Temporal variations of the analyte concentrations observed were attributed to the improper use of organic solvents during operation.

  2. Volatile organic compounds in air at urban and industrial areas in the Tarragona region by thermal desorption and gas chromatography-mass spectrometry.

    Science.gov (United States)

    Ras, Maria Rosa; Marcé, Rosa Maria; Borrull, Francesc

    2010-02-01

    Annual trends of a group of 66 volatile organic compounds (VOCs), containing 20 ozone precursors, were the aim of a sampling campaign carried out for a year in air at urban and industrial areas from Tarragona region. VOCs were determined by active collection on multisorbent tubes, followed by thermal desorption and gas chromatography-mass spectrometry. The analytical method was developed and validated, showing good levels of detection and quantification, recoveries, precision, and linearity for all the compounds in the range being studied. All the industrial and urban samples taken during the sampling campaign were similar in their qualitative composition. The most abundant compound in all urban and industrial sites was i-pentane, with concentrations between 15.2 and 202.1 microg m(-3) in urban sites and between 1.3 and 98.6 microg m(-3) in industrial sites. In urban sites, the following compounds in order of abundance were toluene, n-pentane, m,p-xylene, and o-xylene, with maximum levels of 150.6, 45.8, 42.3, and 31.7 microg m(-3), respectively. In industrial sites, the most abundant compounds depended on the sampled site.

  3. Comparitive study on volatile aroma compounds of two different garlic types (Kastamonu and Chinese) using gas chromatography mass spectrometry (HS-GC/MS) technique.

    Science.gov (United States)

    Keleş, Davut; Taşkin, Hatira; Baktemur, Gökhan; Kafkas, Ebru; Büyükalaca, Saadet

    2014-01-01

    The medicinal use of garlic is much older than its usage as a food. The medical importance of garlic comes forward for its sulfur-containing components. In this study, it was aimed to compare Kastamonu garlic type with Chinese garlic type based on their aroma profiles. Fresh Kastamonu garlic samples harvested from Kastamonu region of Turkey and Chinese garlic samples obtained from Turkish market were used as plant material. Volatile aroma compounds were determined using Headspace Gas Chromatography Mass Spectrometry (HS-GC/MS). Sixteen and twenty aroma components were identified in Kastamonu and Chinese garlic types, respectively. Kastamonu garlic type was found to be richer than Chinese garlic types in terms of sulfur-containing compounds. Diallyl disulphide, which is one of these components, was detected at level of 41.87% and 34.95% in the Kastamonu and Chinese garlic types, respectively. Also di-2-propenyl trisulfide was found only in Kastamonu garlic types. Disulfide, methyl 2-propenyl was determined at similar levels in both garlic types. The majority of garlic grown in Kastamonu region of Turkey is assessed by medical companies. The results of the current study showed that Kastamonu garlic type has important medical properties. Therefore, this garlic can also be used in the medical field, as well as the consumption as food.

  4. Multivariate analysis of the volatile components in tobacco based on infrared-assisted extraction coupled to headspace solid-phase microextraction and gas chromatography-mass spectrometry.

    Science.gov (United States)

    Yang, Yanqin; Pan, Yuanjiang; Zhou, Guojun; Chu, Guohai; Jiang, Jian; Yuan, Kailong; Xia, Qian; Cheng, Changhe

    2016-11-01

    A novel infrared-assisted extraction coupled to headspace solid-phase microextraction followed by gas chromatography with mass spectrometry method has been developed for the rapid determination of the volatile components in tobacco. The optimal extraction conditions for maximizing the extraction efficiency were as follows: 65 μm polydimethylsiloxane-divinylbenzene fiber, extraction time of 20 min, infrared power of 175 W, and distance between the infrared lamp and the headspace vial of 2 cm. Under the optimum conditions, 50 components were found to exist in all ten tobacco samples from different geographical origins. Compared with conventional water-bath heating and nonheating extraction methods, the extraction efficiency of infrared-assisted extraction was greatly improved. Furthermore, multivariate analysis including principal component analysis, hierarchical cluster analysis, and similarity analysis were performed to evaluate the chemical information of these samples and divided them into three classifications, including rich, moderate, and fresh flavors. The above-mentioned classification results were consistent with the sensory evaluation, which was pivotal and meaningful for tobacco discrimination. As a simple, fast, cost-effective, and highly efficient method, the infrared-assisted extraction coupled to headspace solid-phase microextraction technique is powerful and promising for distinguishing the geographical origins of the tobacco samples coupled to suitable chemometrics.

  5. Evaluation and optimization of mass transport of redox species in silicon microwire-array photoelectrodes.

    Science.gov (United States)

    Xiang, Chengxiang; Meng, Andrew C; Lewis, Nathan S

    2012-09-25

    Physical integration of a Ag electrical contact internally into a metal/substrate/microstructured Si wire array/oxide/Ag/electrolyte photoelectrochemical solar cell has produced structures that display relatively low ohmic resistance losses, as well as highly efficient mass transport of redox species in the absence of forced convection. Even with front-side illumination, such wire-array based photoelectrochemical solar cells do not require a transparent conducting oxide top contact. In contact with a test electrolyte that contained 50 mM/5.0 mM of the cobaltocenium(+/0) redox species in CH(3)CN-1.0 M LiClO(4), when the counterelectrode was placed in the solution and separated from the photoelectrode, mass transport restrictions of redox species in the internal volume of the Si wire array photoelectrode produced low fill factors and limited the obtainable current densities to 17.6 mA cm(-2) even under high illumination. In contrast, when the physically integrated internal Ag film served as the counter electrode, the redox couple species were regenerated inside the internal volume of the photoelectrode, especially in regions where depletion of the redox species due to mass transport limitations would have otherwise occurred. This behavior allowed the integrated assembly to operate as a two-terminal, stand-alone, photoelectrochemical solar cell. The current density vs. voltage behavior of the integrated photoelectrochemical solar cell produced short-circuit current densities in excess of 80 mA cm(-2) at high light intensities, and resulted in relatively low losses due to concentration overpotentials at 1 Sun illumination. The integrated wire array-based device architecture also provides design guidance for tandem photoelectrochemical cells for solar-driven water splitting.

  6. Identification of biomolecule mass transport and binding rate parameters in living cells by inverse modeling

    Directory of Open Access Journals (Sweden)

    Shirmohammadi Adel

    2006-10-01

    Full Text Available Abstract Background Quantification of in-vivo biomolecule mass transport and reaction rate parameters from experimental data obtained by Fluorescence Recovery after Photobleaching (FRAP is becoming more important. Methods and results The Osborne-Moré extended version of the Levenberg-Marquardt optimization algorithm was coupled with the experimental data obtained by the Fluorescence Recovery after Photobleaching (FRAP protocol, and the numerical solution of a set of two partial differential equations governing macromolecule mass transport and reaction in living cells, to inversely estimate optimized values of the molecular diffusion coefficient and binding rate parameters of GFP-tagged glucocorticoid receptor. The results indicate that the FRAP protocol provides enough information to estimate one parameter uniquely using a nonlinear optimization technique. Coupling FRAP experimental data with the inverse modeling strategy, one can also uniquely estimate the individual values of the binding rate coefficients if the molecular diffusion coefficient is known. One can also simultaneously estimate the dissociation rate parameter and molecular diffusion coefficient given the pseudo-association rate parameter is known. However, the protocol provides insufficient information for unique simultaneous estimation of three parameters (diffusion coefficient and binding rate parameters owing to the high intercorrelation between the molecular diffusion coefficient and pseudo-association rate parameter. Attempts to estimate macromolecule mass transport and binding rate parameters simultaneously from FRAP data result in misleading conclusions regarding concentrations of free macromolecule and bound complex inside the cell, average binding time per vacant site, average time for diffusion of macromolecules from one site to the next, and slow or rapid mobility of biomolecules in cells. Conclusion To obtain unique values for molecular diffusion coefficient and

  7. Association of central serotonin transporter availability and body mass index in healthy Europeans

    DEFF Research Database (Denmark)

    Hesse, Swen; van de Giessen, Elsmarieke; Zientek, Franziska

    2014-01-01

    UNLABELLED: Serotonin-mediated mechanisms, in particular via the serotonin transporter (SERT), are thought to have an effect on food intake and play an important role in the pathophysiology of obesity. However, imaging studies that examined the correlation between body mass index (BMI) and SERT...... are sparse and provided contradictory results. The aim of this study was to further test the association between SERT and BMI in a large cohort of healthy subjects. METHODS: 127 subjects of the ENC DAT database (58 females, age 52 ± 18 years, range 20-83, BMI 25.2 ± 3.8 kg/m(2), range 18.2-41.1) were...

  8. BIFURCATION OF FLOW AND MASS TRANSPORT IN A CURVED BLOOD VESSEL

    Institute of Scientific and Technical Information of China (English)

    TAN Wenchang(谭文长); WEI Lan(魏兰); ZHAO Yaohua(赵耀华); TAKASHI Masuoka

    2003-01-01

    A numerical analysis of flow and concentration fields of macromolecules in a slightly curved blood vessel was carried out. Based on these results, the effect of the bifurcation of a flow on the mass transport in a curved blood vessel was discussed. The macromolecules turned out to be easier to deposit in the inner part of the curved blood vessel near the critical Dean number. Once the Dean number is higher than the critical number, the bifurcation of the flow appears. This bifurcation can prevent macromolecules from concentrating in the inner part of the curved blood vessel. This result is helpful for understanding the possible correlations between the blood dynamics and atherosclerosis.

  9. Technical Note: Performance of Chemical Ionization Reaction Time-of-Flight Mass Spectrometry (CIR-TOF-MS for the measurement of atmospherically significant oxygenated volatile organic compounds

    Directory of Open Access Journals (Sweden)

    K. P. Wyche

    2007-01-01

    Full Text Available The performance of a new chemical ionization reaction time-of-flight mass spectrometer (CIR-TOF-MS utilising the environment chamber SAPHIR (Simulation of Atmospheric Photochemistry In a large Reaction Chamber- Forschungzentrum Jülich, Germany is described. The work took place as part of the ACCENT (Atmospheric Composition and Change the European NeTwork for excellence supported oxygenated volatile organic compound (OVOC measurement intercomparison during January 2005. The experiment entailed the measurement of 14 different atmospherically significant OVOCs at various mixing ratios in the approximate range 10.0–0.6 ppbV. The CIR-TOF-MS operated throughout the exercise with the hydronium ion (H3O+ as the primary chemical ionization (CI reagent in order to facilitate proton transfer to the analyte OVOCs. The results presented show that the CIR time-of-flight mass spectrometer is capable of detecting a wide range of atmospheric OVOCs at mixing ratios of around 10 ppbV in "real-time" (i.e. detection on the one-minute time scale, with sub-ppbV measurement also achieved following an increase in averaging time to tens of minutes. It is shown that in general OVOC measurement is made with high accuracy and precision, with integration time, mixing ratio and compound dependent values as good as 4–13% and 3–15% respectively. It is demonstrated that CIR-TOF-MS has rapid multi-channel response at the required sensitivity, accuracy and precision for atmospheric OVOC measurement.

  10. In cleanroom, sub-ppb real-time monitoring of volatile organic compounds using proton-transfer reaction/time of flight/mass spectrometry

    Science.gov (United States)

    Hayeck, Nathalie; Maillot, Philippe; Vitrani, Thomas; Pic, Nicolas; Wortham, Henri; Gligorovski, Sasho; Temime-Roussel, Brice; Mizzi, Aurélie; Poulet, Irène

    2014-04-01

    Refractory compounds such as Trimethylsilanol (TMS) and other organic compounds such as propylene glycol methyl ether acetate (PGMEA) used in the photolithography area of microelectronic cleanrooms have irreversible dramatic impact on optical lenses used on photolithography tools. There is a need for real-time, continuous measurements of organic contaminants in representative cleanroom environment especially in lithography zone. Such information is essential to properly evaluate the impact of organic contamination on optical lenses. In this study, a Proton-Transfer Reaction-Time-of-Flight Mass spectrometer (PTR-TOF-MS) was applied for real-time and continuous monitoring of fugitive organic contamination induced by the fabrication process. Three types of measurements were carried out using the PTR-TOF-MS in order to detect the volatile organic compounds (VOCs) next to the tools in the photolithography area and at the upstream and downstream of chemical filters used to purge the air in the cleanroom environment. A validation and verification of the results obtained with PTR-TOF-MS was performed by comparing these results with those obtained with an off-line technique that is Automated Thermal Desorber - Gas Chromatography - Mass Spectrometry (ATD-GC-MS) used as a reference analytical method. The emerged results from the PTR-TOF-MS analysis exhibited the temporal variation of the VOCs levels in the cleanroom environment during the fabrication process. While comparing the results emerging from the two techniques, a good agreement was found between the results obtained with PTR-TOF-MS and those obtained with ATD-GC-MS for the PGMEA, toluene and xylene. Regarding TMS, a significant difference was observed ascribed to the technical performance of both instruments.

  11. Back to the early Universe by a Monge-Ampere-Kantorovich mass transportation method

    CERN Document Server

    Frisch, U; Mohayaee, R; Sobolevski, A; Frisch, Uriel; Matarrese, Sabino; Mohayaee, Roya; Sobolevski, Andrei

    2002-01-01

    Reconstructing the minute density fluctuations in the early Universe that evolved into a highly clumpy matter distribution, as revealed by the present distribution of luminous matter, constitutes a major challenge of modern cosmology. A number of techniques have been devised in recent years which attempt to achieve this aim by using galaxy positions alone [8 refs.]. However, without knowledge of their velocities, this problem is not well-posed and its solution suffers frequently from lack of uniqueness. Here we make the hypothesis that the map from initial to present locations of mass elements is irrotational. Using recent mathematical work [Brenier], we then relate reconstruction to ``mass transportation'', a well-posed optimisation problem in engineering introduced by Monge in 1781. We propose a new powerful algorithm for unique reconstruction which, when tested against N-body simulations, gives excellent reconstruction down to scales of a few comoving megaparsecs and demonstrates the validity of our hypoth...

  12. Numerical simulation of mass and energy transport phenomena in solid oxide fuel cells

    Energy Technology Data Exchange (ETDEWEB)

    Arpino, F. [Dipartimento di Meccanica, Strutture, Ambiente e Territorio (DiMSAT), University of Cassino, via Di Biasio 43, Cassino (Italy); Massarotti, N. [Dipertimento per le Tecnologie (DiT), University of Naples ' ' Parthenope' ' , Centro Direzionale, isola C4, 80143 Napoli (Italy)

    2009-12-15

    Solid Oxide Fuel Cells (SOFCs) represent a very promising technology for near future energy conversion thanks to a number of advantages, including the possibility of using different fuels. In this paper, a detailed numerical model, based on a general mathematical description and on a finite element Characteristic based Split (CBS) algorithm code is employed to simulate mass and energy transport phenomena in SOFCs. The model predicts the thermodynamic quantity of interest in the fuel cell. Full details of the numerical solution obtained are presented both in terms of heat and mass transfer in the cell and in terms of electro-chemical reactions that occur in the system considered. The results obtained with the present algorithm is compared with the experimental data available in the literature for validation, showing an excellent agreement. (author)

  13. Unstable simple volatiles and gas chromatography-tandem mass spectrometry analysis of essential oil from the roots bark of Oplopanax horridus extracted by supercritical fluid extraction.

    Science.gov (United States)

    Shao, Li; Bao, Mei-Hua; Ouyang, Dong-Sheng; Wang, Chong-Zhi; Yuan, Chun-Su; Zhou, Hong-Hao; Huang, Wei-Hua

    2014-11-27

    Volatile oil from the root bark of Oplopanax horridus is regarded to be responsible for the clinical uses of the title plant as a respiratory stimulant and expectorant. Therefore, a supercritical fluid extraction method was first employed to extract the volatile oil from the roots bark of O. horridus, which was subsequently analyzed by GC/MS. Forty-eight volatile compounds were identified by GC/MS analysis, including (S,E)-nerolidol (52.5%), τ-cadinol (21.6%) and S-falcarinol (3.6%). Accordingly, the volatile oil (100 g) was subjected to chromatographic separation and purification. As a result, the three compounds, (E)-nerolidol (2 g), τ-cadinol (62 mg) and S-falcarinol (21 mg), were isolated and purified from the volatile oil, the structures of which were unambiguously elucidated by detailed spectroscopic analysis including 1D- and 2D-NMR techniques.

  14. Unstable Simple Volatiles and Gas Chromatography-Tandem Mass Spectrometry Analysis of Essential Oil from the Roots Bark of Oplopanax Horridus Extracted by Supercritical Fluid Extraction

    Directory of Open Access Journals (Sweden)

    Li Shao

    2014-11-01

    Full Text Available Volatile oil from the root bark of Oplopanax horridus is regarded to be responsible for the clinical uses of the title plant as a respiratory stimulant and expectorant. Therefore, a supercritical fluid extraction method was first employed to extract the volatile oil from the roots bark of O. horridus, which was subsequently analyzed by GC/MS. Forty-eight volatile compounds were identified by GC/MS analysis, including (S,E-nerolidol (52.5%, τ-cadinol (21.6% and S-falcarinol (3.6%. Accordingly, the volatile oil (100 g was subjected to chromatographic separation and purification. As a result, the three compounds, (E-nerolidol (2 g, τ-cadinol (62 mg and S-falcarinol (21 mg, were isolated and purified from the volatile oil, the structures of which were unambiguously elucidated by detailed spectroscopic analysis including 1D- and 2D-NMR techniques.

  15. Flux dependent MeV self-ion-induced effects on Au nanostructures: dramatic mass transport and nanosilicide formation.

    Science.gov (United States)

    Ghatak, J; Umananda Bhatta, M; Sundaravel, B; Nair, K G M; Liou, Sz-Chian; Chen, Cheng-Hsuan; Wang, Yuh-Lin; Satyam, P V

    2008-08-13

    We report a direct observation of dramatic mass transport due to 1.5 MeV Au(2+) ion impact on isolated Au nanostructures of average size ≈7.6 nm and height ≈6.9 nm that are deposited on Si(111) substrate under high flux (3.2 × 10(10)-6.3 × 10(12) ions cm(-2) s(-1)) conditions. The mass transport from nanostructures was found to extend up to a distance of about 60 nm into the substrate, much beyond their size. This forward mass transport is compared with the recoil implantation profiles using SRIM simulation. The observed anomalies with theory and simulations are discussed. At a given energy, the incident flux plays a major role in mass transport and its redistribution. The mass transport is explained on the basis of thermal effects and the creation of rapid diffusion paths in the nanoscale regime during the course of ion irradiation. The unusual mass transport is found to be associated with the formation of gold silicide nano-alloys at subsurfaces. The complexity of the ion-nanostructure interaction process is discussed with a direct observation of melting (in the form of spherical fragments on the surface) phenomena. Transmission electron microscopy, scanning transmission electron microscopy, and Rutherford backscattering spectroscopy methods have been used.

  16. Determination of a wide range of volatile organic compounds in ambient air using multisorbent adsorption/thermal desorption and gas chromatography/mass spectrometry

    Science.gov (United States)

    Pankow, J.F.; Luo, W.; Isabelle, L.M.; Bender, D.A.; Baker, R.J.

    1998-01-01

    Adsorption/thermal desorption with multisorbent air-sampling cartridges was developed for the determination of 87 method analytes including halogenated alkanes, halogenated alkenes, ethers, alcohols, nitriles, esters, ketones, aromatics, a disulfide, and a furan. The volatilities of the compounds ranged from that of dichlorofluoromethane (CFC12) to that of 1,2,3- trichlorobenzene. The eight most volatile compounds were determined using a 1.5-L air sample and a sample cartridge containing 50 mg of Carbotrap B and 280 mg of Carboxen 1000; the remaining 79 compounds were determined using a 5-L air sample and a cartridge containing 180 mg of Carbotrap B and 70 mg of Carboxen 1000. Analysis and detection were by gas chromatography/mass spectrometry. The minimum detectable level (MDL) concentration values ranged from 0.01 parts per billion by volume (ppbv) for chlorobenzene to 0.4 ppbv for bromomethane; most of the MDL values were in the range 0.02-0.06 ppbv. No breakthrough was detected with the prescribed sample volumes. Analyte stability on the cartridges was very good. Excellent recoveries were obtained with independent check standards. Travel spike recoveries ranged from 90 to 110% for 72 of the 87 compounds. The recoveries were less than 70% for bromomethane and chloroethene and for a few compounds such as methyl acetate that are subject to losses by hydrolysis; the lowest travel spike recovery was obtained for bromomethane (62%). Blank values for all compounds were either below detection or very low. Ambient atmospheric sampling was conducted in New Jersey from April to December, 1997. Three sites characterized by low, moderate, and high densities of urbanization/traffic were sampled. The median detected concentrations of the compounds were either similar at all three sites (as with the chlorofluorocarbon compounds) or increased with the density of urbanization/traffic (as with dichloromethane, MTBE, benzene, and toluene). For toluene, the median detected

  17. Origin of the mass splitting of azimuthal anisotropies in a multi-phase transport model

    CERN Document Server

    Li, Hanlin; Lin, Zi-Wei; Molnar, Denes; Wang, Fuqiang; Xie, Wei

    2016-01-01

    The mass splitting of azimuthal anisotropy ($v_n$) at low transverse momentum ($p_{\\perp}$) is considered as a hallmark of hydrodynamic collective flow. We investigate a multi-phase transport (AMPT) model where the $v_n$ is mainly generated by the escape mechanism, not of the hydrodynamic flow nature, and where the mass splitting is also observed. This paper provides extensive details to our published work on Au+Au and d+Au collisions at the Relativistic Heavy Ion Collider (arXiv:1601.05390); it also includes new results on p+Pb collisions at the Large Hadron Collider. We demonstrate that the mass splitting of $v_n$ in AMPT partly arises from kinematics in the quark coalescence hadronization process but more dominantly from hadronic rescatterings, even though the contribution from the latter to the overall charged hadron $v_n$ is small. It is also found that hadronic decays reduce the degree of mass splitting. These findings are qualitatively the same as those from hybrid models that combine hydrodynamics wit...

  18. Effects of Mass Fluctuation on Thermal Transport Properties in Bulk Bi2Te3

    Science.gov (United States)

    Huang, Ben; Zhai, Pengcheng; Yang, Xuqiu; Li, Guodong

    2016-10-01

    In this paper, we applied large-scale molecular dynamics and lattice dynamics to study the influence of mass fluctuation on thermal transport properties in bulk Bi2Te3, namely thermal conductivity (K), phonon density of state (PDOS), group velocity (v g), and mean free path (l). The results show that total atomic mass change can affect the relevant vibrational frequency on the micro level and heat transfer rate in the macro statistic, hence leading to the strength variation of the anharmonic phonon processes (Umklapp scattering) in the defect-free Bi2Te3 bulk. Moreover, it is interesting to find that the anharmonicity of Bi2Te3 can be also influenced by atomic differences of the structure such as the mass distribution in the primitive cell. Considering the asymmetry of the crystal structure and interatomic forces, it can be concluded by phonon frequency, lifetime, and velocity calculation that acoustic-optical phonon scattering shows the structure-sensitivity to the mass distribution and complicates the heat transfer mechanism, hence resulting in the low lattice thermal conductivity of Bi2Te3. This study is helpful for designing the material with tailored thermal conductivity via atomic substitution.

  19. Geocenter motion due to surface mass transport from GRACE satellite data

    Science.gov (United States)

    Riva, R. E. M.; van der Wal, W.; Lavallée, D. A.; Hashemi Farahani, H.; Ditmar, P.

    2012-04-01

    Measurements of mass redistribution from satellite gravimetry are insensitive to geocenter motions. However, geocenter motions can be constrained by satellite gravity data alone if we partition mass changes between land and oceans, under the assumption that the ocean is passive (i.e., in gravitational equilibrium with the land load and the solid earth). Here, we make use of 8 years (2003-2010) of optimally filtered monthly GRACE-based solutions produced at TU Delft to determine changes in the land load and the corresponding geocenter motion, through an iterative procedure. We pay particular attention to correcting for signal leakage caused by the limited spatial resolution of GRACE. We also investigate how the choice of a model of glacial isostatic adjustment (GIA) affects the estimated geocenter motion trend due to present-day surface mass transport. Finally, we separate the contribution of ice masses from that of land hydrology and show how they have a different sensitivity to the chosen GIA model and observational time-span.

  20. Search for Non-Volatile Components with Low Polarity Characterizing Tobacco Leaves Using Liquid Chromatography / Atmospheric Pressure Chemical Ionization Mass Spectrometry Detector

    Directory of Open Access Journals (Sweden)

    Ishida Naoyuki

    2015-06-01

    Full Text Available Alors que les regards se sont principalement tournés sur les composants à faible polarité dans la résine de feuilles de tabac en raison de leur lien probable avec le goût et l’arôme des produits du tabac, l’absence d’une méthode praticable et d’un outil analytique a longtemps fait obstacle à l’identification des composants non-volatils à faible polarité. L’auteur a, en l’occurrence, porté son attention sur l’analyse recourant à la chromatographie en phase inverse non aqueuse couplée à un détecteur à barrettes de photodiodes et à un détecteur de spectrométrie de masse par ionisation chimique à pression atmosphérique. Cette analyse fut considérée applicable à la séparation des composants nonvolatils significatifs mais inconnus. Son application a permis, avec succès, de séparer, détecter et quantifier simultanément plus de 100 composants non-volatils présentant des polarités faibles et différenciées. Ces composantes furent, entre autres, des solanésols, des triacylglycérides, des phytostérols et des chlorophylles. Cependant, les données concernant les différences de composition parmi les diverses feuilles de tabac demeurent encore partielles et basées sur une analyse ciblée plutôt que globales et basées sur une analyse exhaustive. Aucune étude n’a été, à ce jour, accomplie qui recense les composants essentiels permettant de distinguer, parmi les feuilles de tabac, les différents goûts, arômes, variétés, cultivars, processus de séchage et régions de culture. Par conséquent, toutes les données de quantification ont été consolidées dans le but de former une matrice multidimensionnelle complète et ont subi un traitement statistique qui a mis en exergue les catégories et les composants-clés des diverses feuilles de tabac grâce à une analyse en composantes principales et une classification hiérarchique. Les feuilles de tabac ont, dans un premier temps, été ventilées en

  1. New particle formation in air mass transported between two measurement sites in Northern Finland

    Directory of Open Access Journals (Sweden)

    M. Komppula

    2006-01-01

    Full Text Available This study covers four years of aerosol number size distribution data from Pallas and Värriö sites 250 km apart from each other in Northern Finland and compares new particle formation events between these sites. In air masses of eastern origin almost all events were observed to start earlier at the eastern station Värriö, whereas in air masses of western origin most of the events were observed to start earlier at the western station Pallas. This demonstrates that particle formation in a certain air mass type depends not only on the diurnal variation of the parameters causing the phenomenon (such as photochemistry but also on some properties carried by the air mass itself. The correlation in growth rates between the two sites was relatively good, which suggests that the amount of condensable vapour causing the growth must have been at about the same level in both sites. The condensation sink was frequently much higher at the downwind station. It seems that secondary particle formation related to biogenic sources dominate in many cases over the particle sinks during the air mass transport between the sites. Two cases of transport from Pallas to Värriö were further analysed with an aerosol dynamics model. The model was able to reproduce the observed nucleation events 250 km down-wind at Värriö but revealed some differences between the two cases. The simulated nucleation rates were in both cases similar but the organic concentration profiles that best reproduced the observations were different in the two cases indicating that divergent formation reactions may dominate under different conditions. The simulations also suggested that organic compounds were the main contributor to new particle growth, which offers a tentative hypothesis to the distinct features of new particles at the two sites: Air masses arriving from the Atlantic Ocean typically spent approximately only ten hours over land before arriving at Pallas, and thus the time for the

  2. How does the mass transport in disk galaxy models influence the character of orbits?

    CERN Document Server

    Zotos, Euaggelos E

    2015-01-01

    We explore the regular or chaotic nature of orbits of stars moving in the meridional (R,z) plane of an axially symmetric time-dependent disk galaxy model with a central, spherically symmetric nucleus. In particular, mass is linearly transported from the disk to the galactic nucleus, in order to mimic, in a way, the case of self-consistent interactions of an actual N-body simulation. We thus try to unveil the influence of this mass transportation on the different families of orbits of stars by monitoring how the percentage of chaotic orbits, as well as the percentages of orbits of the main regular resonant families, evolve as the galaxy develops a dense and massive nucleus in its core. The SALI method is applied to samples of orbits in order to distinguish safely between ordered and chaotic motion. In addition, a method based on the concept of spectral dynamics is used for identifying the various families of regular orbits and also for recognizing the secondary resonances that bifurcate from them. Our computat...

  3. Task 6.7.3 - Interfacial Mass Transport Effects in Composite Materials

    Energy Technology Data Exchange (ETDEWEB)

    Jan W. Nowok

    1998-02-01

    Advanced metal-matrix composites (MMCS) consisting of titanium-based alloys possess some unique mechanical, physical, and chemical characteristics that make them highly desirable for aircraft and gas turbine engines. Tailoring MMC properties is essential for advanced product design in materials processing. The main factors that affect materials processing and, further, the nature of a metal-ceramic interface, its structure, and morphological stability is liquid surface mass transport related to adhesional wetting (physical effect) and reactive wetting (chemical effect).' Surfaces and interfaces dominate many of the technologically important processes in composite materials such as liquid-solid sintering and joining. The objective of this work is threefold: 1) to get insight into the role of the nonstoichiometry of chemical composition in ceramic materials used as reinforcement components in MMC processing, 2) to extend previous energetic analysis of mass transport phenomena to wetting behavior between liquid metal and the quasi-solidlike skin resulting from the presolidification of liquid on nonstoichiometric solids on a scale of interatomic distance, and 3) to provide experimental verification of our concept.

  4. Task 6.7.3 - Interfacial Mass Transport Effects in Composite Materials

    Energy Technology Data Exchange (ETDEWEB)

    Jan W. Nowok

    1998-02-01

    Advanced metal-matrix composites (MMCS) consisting of titanium-based alloys possess some unique mechanical, physical, and chemical characteristics that make them highly desirable for aircraft and gas turbine engines. Tailoring MMC properties is essential for advanced product design in materials processing. The main factors that affect materials processing and, further, the nature of a metal-ceramic interface, its structure, and morphological stability is liquid surface mass transport related to adhesional wetting physical effect) and reactive wetting (chemical effect). Surfaces and interfaces dominate many of the technologically important processes in composite materials such as liquid-solid sintering and joining. The objective of this work is threefold: 1) to get insight into the role of the nonstoichiometry of chemical composition in ceramic materials used as reinforcement components in MMC processing, 2) to extend previous energetic analysis of mass transport phenomena to wetting behavior between liquid metal and the quasi-solid like skin resulting from the presolidification of liquid on nonstoichiometric solids on a scale of interatomic distance, and 3) to provide experimental verification of our concept.

  5. Mass Transport and Turbulence in Gravitationally Unstable Disk Galaxies II: The Effects of Star Formation Feedback

    CERN Document Server

    Goldbaum, Nathan J; Forbes, John C

    2016-01-01

    Self-gravity and stellar feedback are capable of driving turbulence and transporting mass and angular momentum in disk galaxies, but the balance between them is not well understood. In the previous paper in this series, we showed that gravity alone can drive turbulence in galactic disks, regulate their Toomre $Q$ parameters to $\\sim$ 1, and transport mass inwards at a rate sufficient to fuel star formation in the centers of present-day galaxies. In this paper we extend our models to include the effects of star formation feedback. We show that feedback suppresses galaxies' star formation rates by a factor of $\\sim$ 5 and leads to the formation of a multi-phase atomic and molecular ISM. Both the star formation rate and the phase balance produced in our simulations agree well with observations of nearby spirals. After our galaxies reach steady state, we find that the inclusion of feedback actually lowers the gas velocity dispersion slightly compared to the case of pure self-gravity, and also slightly reduces the...

  6. Facile synthesis of mesostructured ZSM-5 zeolite with enhanced mass transport and catalytic performances

    Science.gov (United States)

    Li, Chao; Ren, Yanqun; Gou, Jinsheng; Liu, Baoyu; Xi, Hongxia

    2017-01-01

    A mesostructured ZSM-5 zeolite with multilamellar structure was successfully synthesized by employing a tetra-headgroup rigid bolaform quaternary ammonium surfactant. It was characterized by powder X-ray diffraction (XRD), scanning electron microscopy (SEM) and transmission electron microscopy (TEM), nitrogen adsorption/desorption isotherms, amines temperature programmed desorption (amines-TPD), and computer simulation. These results indicated that the dual-functional amphiphilic surfactants play a critical role for directing the multilamellar structure with high mesoporosity. The mass transport and catalytic performances of the zeolite were investigated by zero length column (ZLC) technique and aldol condensation reactions to evaluate the structure-property relationship. These results clearly indicated that the mass transport of selected molecules in hierarchical zeolite can be accelerated by introducing mesoporous structure with mesostructure with reduced diffusion length and an overall enhanced resistance against deactivation in reactions involving large molecules. Furthermore, the dual-functional surfactant approach of making hierarchical zeolite with MFI nanosheets framework would open up new opportunities for design and synthesis of hierarchical zeolites with controllable mesoporous structures.

  7. The use of a transportable linear accelerator for fissile mass measurements

    Science.gov (United States)

    Romeyer Dherbey, J.; Lyoussi, A.; Buisson, A.

    1997-02-01

    The quantification of transuranic material (TRU) in waste packages is a common care of countries working in the field of nuclear nondestructive prospecting. The direct control of TRU mass inside large size closed containers is difficult due to several effects, mainly the matrix attenuation and uncertainty on the localization of the radioactive mass. The present document describes the method being developed to assay conditioned waste packages using a transportable linear accelerator which is called Mini-Linatron. The system uses a pulsed electron beam from the Mini-Linatron to produce high energy bremsstrahlung photon bursts from thin metallic converter. The transportable linear accelerator operates at 6, 9 and 11 MeV with a repetition rate between 10 to 300 Hz and a 4.5 μs pulse duration. The maximum gamma dose rate is about 23 Gy/mn at 1 m. The photons induce fission in fissile and fertile nuclei. We counted delayed neutrons emitted after each pulse. Results of measurements on an experimental active gamma interrogation facility for embedded intermediate and low level wastes are presented.

  8. Numerical investigation of interface region flows in mass spectrometers: ion transport

    Energy Technology Data Exchange (ETDEWEB)

    Jugroot, Manish [Institute for Aerospace Studies, University of Toronto, 4925 Dufferin Street, Toronto, Ontario, M3H 5T6 (Canada); Groth, Clinton P T [Institute for Aerospace Studies, University of Toronto, 4925 Dufferin Street, Toronto, Ontario, M3H 5T6 (Canada); Thomson, Bruce A [MDS SCIEX, 71 Four Valley Drive, Concord, Ontario, L4K 4V8 (Canada); Baranov, Vladimir [MDS SCIEX, 71 Four Valley Drive, Concord, Ontario, L4K 4V8 (Canada); Collings, Bruce A [MDS SCIEX, 71 Four Valley Drive, Concord, Ontario, L4K 4V8 (Canada)

    2004-02-21

    The transport of free ions through highly under-expanded jet flows of neutral gases and in the presence of applied electric fields is investigated by continuum-based numerical simulations. In particular, numerical results are described that are relevant to ion flows occurring in the interface region of mass spectrometer systems. A five-moment mathematical model and parallel multi-block numerical solution procedure are developed for predicting the ion transport. The model incorporates the effects of ion-neutral collision processes and is used in conjunction with a Navier-Stokes model and flow solver for the neutral gas to examine the key features of the ion motion. The influences of the neutral gas flow, electric field, and flow field geometry on ion mobility are all carefully assessed. Several ions of varying mass and charge are considered, and the relative importance of competing effects (i.e. electric field and ion-neutral collision effects) is discussed. The capability of controlling the charged particle motions through a combination of directed neutral flow and applied electric field is demonstrated for high-speed, hypersonic jet flows.

  9. Mass transport aspects of polymer electrolyte fuel cells under two-phase flow conditions

    Energy Technology Data Exchange (ETDEWEB)

    Kramer, D.

    2007-03-27

    This work deals with selected aspects of mass transport phenomena in PEFCs and DMFCs. Emphasis is placed on the implications originating from the occurrence of two-phase flow within these devices. Optimality of supply, distribution, and removal of the fuel, the oxidant, and the reaction products is of utmost importance for the stability, efficiency, and durability of the devices. Being a prerequisite for high current densities while maintaining sufficient voltage, mass transport optimization contributes to the development of cost effective as well as compact designs and hence competitive fuel cells. [German] Die Visualisierung und Quantifizierung von Fluessigwasseransammlungen in Polymerelektrolytmembran-Brennstoffzellen konnte mittels Neutronenradiographie erreicht werden. Dank dieser neuartigen diagnostischen Methode konnte erstmals die Fluessigwasseransammlung in den poroesen Gasdiffusionsschichten direkt nachgewiesen und quantifiziert werden. Die Kombination von Neutronenradiographie mit ortsaufgeloesten Stromdichtemessungen bzw. lokaler Impedanzspektroskopie erlaubte die Korrelation des inhomogenen Fluessigwasseranfalls mit dem lokalen elektrochemischen Leistungsverhalten. Systematische Untersuchungen an Polymerelektrolyt- und Direkt-Methanol-Brennstoffzellen verdeutlichen sowohl den Einfluss von Betriebsbedingungen als auch die Auswirkung von Materialeigenschaften auf die Ausbildung zweiphasiger Stroemungen.

  10. The synergistic effect of ultrasound and chemical penetration enhancers on chorioamnion mass transport.

    Science.gov (United States)

    Azagury, Aharon; Khoury, Luai; Adato, Yair; Wolloch, Lior; Ariel, Ilana; Hallak, Mordechai; Kost, Joseph

    2015-02-28

    In our previous study we proposed the use of chemical penetration enhancers for noninvasive detection of fetus abnormalities that can also be utilized for direct fetal drug delivery. In an attempt to further increase the mass transport rate across the amniotic membrane, thus shortening the procedure and improving the applicability of the proposed procedure, the effect and mechanism of combining ultrasound exposure with chemical penetration enhancers' application were assessed. The combined effect was evaluated in vitro on post-delivery human amniotic membrane and ex vivo on rat's whole amniotic sac. Ultrasound effect has been assessed by dye experiments using a customized image analysis program. Additional insights of ultrasound effect's mechanism on biological membranes are presented. Previously we have determined that chemical penetration enhancers affect the fetal membranes via two mechanisms termed as 'extractors' and 'fluidizers'. In this study, we found that combining ultrasound with a 'fluidizer' CPE (e.g. bupivacaine) results in a synergistic enhancement (90-fold) of fetal membrane's mass transport, while combining ultrasound with 'extractors' (e.g. ethanol and NMP) results in an antagonistic effect. The combined procedure is faster and gain greater accuracy than the applications of sole chemical penetration enhancers.

  11. Circulation and water mass transports on the East Antarctic shelf in the Mertz Glacier region

    Science.gov (United States)

    Martin, Antoine; Houssais, Marie-Noëlle; Le Goff, Hervé; Marec, Claudie; Dausse, Denis

    2017-08-01

    The East Antarctic shelf off Adélie-George V Land is known to be an important region for Dense Shelf Water (DSW) formation as a result of intense sea ice production in the Mertz Glacier Polynya during the winter season. It is also a region where the warm modified Circumpolar Deep Water (mCDW) penetrates onto the shelf during the summer. Using hydrographic observations from a summer survey in 2008 we implement a box inverse model to propose a comprehensive view of the steady state circulation on this shelf in summer. Additional information from mooring observations collected on the depression slope is used to provide context to the retrieved circulation scheme. Over the depression slope, the summer baroclinic structure of the currents is found to contrast with the almost barotropic structure in winter. The summer circulation is strongly constrained by the DSW distribution and forms a clockwise circulation primarily transporting the fresh surface waters and the warm mCDW around the dome of DSW. Over the upper flank of the Mertz Bank, the inflow branch transports the mCDW towards the Mertz Glacier, while, over the lower part of the slope, the outflow branch returns to the sill a diluted mode of the same water mass. A total of 0.19 Sv of mCDW inflows at the sill and two-third reach the Mertz Glacier and recirculate in front of it, allowing the mCDW to penetrate into the deeper part of the depression. Possible scenarios of interaction between the mCDW and the DSW with the glacier are examined. It is shown that, despite the water mass pathways and transports suggest possible ice-ocean interaction, both lateral and basal melting were likely small in summer 2008. Finally, our results suggest that, in addition to bathymetric features, the distribution of the residual DSW which is left from the preceding winter sets up regional pressure gradients which provide a seasonal control on the shelf circulation. In particular, the spring collapse of the convective patch would

  12. Solvent-Induced Crystallization in Poly(Ethylene Terephthalate) during Mass Transport

    Science.gov (United States)

    Ouyang, Hao

    2001-03-01

    The solvent transport in poly(ethylene terephthalate) (PET) and related phase transformation were investigated. The data of mass sorption were analyzed according to Harmon¡¦s model for Case I (Fickian), Case II (swelling) and anomalous transport. This transport process in PET is accompanied by the induced crystallization of the original amorphous state. The transformation was studied by wide angle x-ray scattering (WAXS), small angle x-ray scattering (SAXS), Differential Scanning Calorimeter (DSC), density gradient column, and Fourier Transform Infra-Red (FTIR). During this process, the matrix is under a compressive strain that causes different kinetic path of crystallization as compared to that by thermal annealing. This state of strain will assist the development of the solvent-induced crystallization. It also can be explained in terms of the principle of Le Chatelier if the local equilibrium is assumed. The model regarding the crystallization was proposed in terms of the study of long period L, the crystal thickness lc and the thickness of amorphous layer la, obtained from the linear correlation function and interface distribution function.

  13. Imaging ion and molecular transport at subcellular resolution by secondary ion mass spectrometry

    Science.gov (United States)

    Chandra, Subhash; Morrison, George H.

    1995-05-01

    The transport of K+, Na+, and Ca2+ were imaged in individual cells with a Cameca IMS-3f ion microscope. Strict cryogenic frozen freeze-dry sample preparations were employed. Ion redistribution artifacts in conventional chemical preparations are discussed. Cryogenically prepared freeze-fractured freeze-dried cultured cells allowed the three-dimensional ion microscopic imaging of elements. As smaller structures in calcium images can be resolved with the 0.5 [mu]m spatial resolution, correlative techniques are needed to confirm their identity. The potentials of reflected light microscopy, scanning electron microscopy and laser scanning confocal microscopy are discussed for microfeature recognition in freeze-fractured freeze-dried cells. The feasibility of using frozen freeze-dried cells for imaging molecular transport at subcellular resolution was tested. Ion microscopy successfully imaged the transport of the isotopically tagged (13C, 15N) amino acid, -arginine. The labeled amino acid was imaged at mass 28 with a Cs+ primary ion beam as the 28(13C15N)- species. After a 4 h exposure of LLC-PK1 kidney cells to 4 mM labeled arginine, the amino acid was localized throughout the cell with a preferential incorporation into the nucleus and nucleolus. An example is also shown of the ion microscopic imaging of sodium borocaptate, an experimental therapeutic drug for brain tumors, in cryogenically prepared frozen freeze-dried Swiss 3T3 cells.

  14. A heuristic simulation model of Lake Ontario circulation and mass balance transport

    Science.gov (United States)

    McKenna, J.E.; Chalupnicki, M.A.

    2011-01-01

    The redistribution of suspended organisms and materials by large-scale currents is part of natural ecological processes in large aquatic systems but can contribute to ecosystem disruption when exotic elements are introduced into the system. Toxic compounds and planktonic organisms spend various lengths of time in suspension before settling to the bottom or otherwise being removed. We constructed a simple physical simulation model, including the influence of major tributaries, to qualitatively examine circulation patterns in Lake Ontario. We used a simple mass balance approach to estimate the relative water input to and export from each of 10 depth regime-specific compartments (nearshore vs. offshore) comprising Lake Ontario. Despite its simplicity, our model produced circulation patterns similar to those reported by more complex studies in the literature. A three-gyre pattern, with the classic large counterclockwise central lake circulation, and a simpler two-gyre system were both observed. These qualitative simulations indicate little offshore transport along the south shore, except near the mouths of the Niagara River and Oswego River. Complex flow structure was evident, particularly near the Niagara River mouth and in offshore waters of the eastern basin. Average Lake Ontario residence time is 8 years, but the fastest model pathway indicated potential transport of plankton through the lake in as little as 60 days. This simulation illustrates potential invasion pathways and provides rough estimates of planktonic larval dispersal or chemical transport among nearshore and offshore areas of Lake Ontario. ?? 2011 Taylor & Francis.

  15. Feeding the "aneurysm": Orogen-parallel mass transport into Nanga Parbat and the western Himalayan syntaxis

    Science.gov (United States)

    Whipp, David M.; Beaumont, Christopher; Braun, Jean

    2014-06-01

    The Nanga Parbat-Haramosh massif (NPHM; western Himalayan syntaxis) requires an influx of mass exceeding that in the adjacent Himalayan arc to sustain high topography and rapid erosional exhumation rates. What supplies this mass flux and feeds this "tectonic aneurysm?" We show, using a simple 3-D model of oblique orogen convergence, that velocity/strain partitioning results in horizontal orogen-parallel (OP) crustal transport, and the same behavior is inferred for the Himalaya, with OP transport diverting converging crust toward the syntaxis. Model results also show that the OP flow rate decreases in the syntaxis, thereby thickening the crust and forming a structure like the NPHM. The additional crustal thickening, over and above that elsewhere in the Himalayan arc, sustains the rapid exhumation of this "aneurysm." Normally, velocity/strain partitioning would be minimal for the Himalayan arc where the convergence obliquity is no greater than ~40°. However, we show analytically that the Himalayan system can act both as a critical wedge and exhibit strain partitioning if both the detachment beneath the wedge and the bounding rear shear zone, which accommodates OP transport, are very weak. Corresponding numerical results confirm this requirement and demonstrate that a Nanga Parbat-type shortening structure can develop spontaneously if the orogenic wedge and bounding rear shear zone can strain rate soften while active. These results lead us to question whether the position of NPHM aneurysm is localized by river incision, as previously suggested, or by a priori focused tectonic shortening of the crust in the syntaxis region as demonstrated by our models.

  16. Unstable Simple Volatiles and Gas Chromatography-Tandem Mass Spectrometry Analysis of Essential Oil from the Roots Bark of Oplopanax Horridus Extracted by Supercritical Fluid Extraction

    OpenAIRE

    Li Shao; Mei-Hua Bao; Dong-Sheng Ouyang; Chong-Zhi Wang; Chun-Su Yuan; Hong-Hao Zhou; Wei-Hua Huang

    2014-01-01

    Volatile oil from the root bark of Oplopanax horridus is regarded to be responsible for the clinical uses of the title plant as a respiratory stimulant and expectorant. Therefore, a supercritical fluid extraction method was first employed to extract the volatile oil from the roots bark of O. horridus, which was subsequently analyzed by GC/MS. Forty-eight volatile compounds were identified by GC/MS analysis, including (S,E)-nerolidol (52.5%), τ-cadinol (21.6%) and S-falcarinol (3.6%). Accordi...

  17. Emissions and ambient distributions of Biogenic Volatile Organic Compounds (BVOC in a ponderosa pine ecosystem: interpretation of PTR-MS mass spectra

    Directory of Open Access Journals (Sweden)

    S. Kim

    2010-02-01

    Full Text Available Two proton-transfer-reaction mass spectrometry systems were deployed at the Bio-hydro-atmosphere interactions of Energy, Aerosols, Carbon, H2O, Organics and Nitrogen-Southern Rocky Mountain 2008 field campaign (BEACHON-SRM08; July to September, 2008 at the Manitou Forest Observatory in a ponderosa pine woodland near Woodland Park, Colorado USA. The two PTR-MS systems simultaneously measured BVOC emissions and ambient distributions of their oxidation products. Here, we present mass spectral analysis in a wide range of masses (m/z 40+ to 210+ to assess our understanding of BVOC emissions and their photochemical processing inside of the forest canopy. The biogenic terpenoids, 2-methyl-3-butene-2-ol (MBO, 50.2% and several monoterpenes (MT, 33.5% were identified as the dominant BVOC emissions from a transmission corrected mass spectrum (PTR-MS, averaged over the daytime (11 a.m. to 3 p.m., local time of three days. To assess contributions of oxidation products of local BVOC, we calculate an oxidation product spectrum with the OH- and ozone-initiated oxidation product distribution mass spectra of two major BVOC emissions at the ecosystem (MBO and β-pinene that were observed from laboratory oxidation experiments. The majority (~76% of the total signal in the transmission corrected PTR-MS spectra could be explained by identified compounds. The remainder are attributed to oxidation products of BVOC emitted from nearby ecosystems and transported to the site, and oxidation products of unidentified BVOC emitted from the ponderosa pine ecosystem.

  18. Mass transport induced by internal Kelvin waves beneath shore-fast ice

    Science.gov (United States)

    StøYlen, Eivind; Weber, Jan Erik H.

    2010-03-01

    A one-layer reduced-gravity model is used to investigate the wave-induced mass flux in internal Kelvin waves along a straight coast beneath shore-fast ice. The waves are generated by barotropic tidal pumping at narrow sounds, and the ice lid introduces a no-slip condition for the horizontal wave motion. The mean Lagrangian fluxes to second order in wave steepness are obtained by integrating the equations of momentum and mass between the material interface and the surface. The mean flow is forced by the conventional radiation stress for internal wave motion, the mean pressure gradient due to the sloping surface, and the frictional drag at the boundaries. The equations that govern the mean fluxes are expressed in terms of mean Eulerian variables, while the wave forcing terms are given by the horizontal divergence of the Stokes flux. Analytical results show that the effect of friction induces a mean Eulerian flux along the coast that is comparable to the Stokes flux. In addition, the horizontal divergence of the total mean flux along the coast induces a small mass flux in the cross-shore direction. This flux changes the mean thickness of the upper layer outside the trapping region and may facilitate geostrophically balanced boundary currents in enclosed basins. This is indeed demonstrated by numerical solutions of the flux equations for confined areas larger than the trapping region. Application of the theory to Arctic waters is discussed, with emphasis on the transport of biological material and pollutants in nearshore regions.

  19. Determination of volatile organic compounds in water by headspace solid-phase microextraction gas chromatography coupled to tandem mass spectrometry with triple quadrupole analyzer.

    Science.gov (United States)

    Cervera, M I; Beltran, J; Lopez, F J; Hernandez, F

    2011-10-17

    In the present work, a rapid method with little sample handling has been developed for determination of 23 selected volatile organic compounds in environmental and wastewater samples. The method is based on headspace solid-phase microextraction (SPME) followed by gas chromatography coupled to tandem mass spectrometry (GC-MS/MS) determination using triple quadrupole analyzer (QqQ) in electron ionization mode. The best conditions for extraction were optimised with a factorial design taking into account the interaction between different parameters and not only individual effects of variables. In the optimized procedure, 4 mL of water sample were extracted using a 10 mL vial and adding 0.4 g NaCl (final NaCl content of 10%). An SPME extraction with carboxen/polydimethylsiloxane 75 μm fiber for 30 min at 50°C (with 5 min of previous equilibration time) with magnetic stirring was applied. Chromatographic determination was carried out by GC-MS/MS working in Selected Reaction Monitoring (SRM) mode. For most analytes, two MS/MS transitions were acquired, although for a few compounds it was difficult to obtain characteristic abundant fragments. In those cases, a pseudo selected reaction monitoring (pseudo-SRM) with three ions was used instead. The intensity ratio between quantitation (Q) and confirmation (q) signals was used as a confirmatory parameter. The method was validated by means of recovery experiments (n=6) spiking mineral water samples at three concentration levels (0.1, 5 and 50 μg L(-1)). Recoveries between 70% and 120% were generally obtained with relative standard deviations (RSDs) lower than 20%. The developed method was applied to surface water and wastewater from a wastewater treatment plant and from a municipal solid-waste treatment plant. Several compounds, like chloroform, benzene, trichloroethylene, toluene, tetrachloroethylene, dibromochloromethane, xylenes and bromoform were detected and confirmed in all the samples analyzed.

  20. Sensitive monitoring of volatile chemical warfare agents in air by atmospheric pressure chemical ionization mass spectrometry with counter-flow introduction.

    Science.gov (United States)

    Seto, Yasuo; Kanamori-Kataoka, Mieko; Tsuge, Koichiro; Ohsawa, Isaac; Iura, Kazumitsu; Itoi, Teruo; Sekiguchi, Hiroyuki; Matsushita, Koji; Yamashiro, Shigeharu; Sano, Yasuhiro; Sekiguchi, Hiroshi; Maruko, Hisashi; Takayama, Yasuo; Sekioka, Ryoji; Okumura, Akihiko; Takada, Yasuaki; Nagano, Hisashi; Waki, Izumi; Ezawa, Naoya; Tanimoto, Hiroyuki; Honjo, Shigeru; Fukano, Masumi; Okada, Hidehiro

    2013-03-05

    A new method for sensitively and selectively detecting chemical warfare agents (CWAs) in air was developed using counter-flow introduction atmospheric pressure chemical ionization mass spectrometry (MS). Four volatile and highly toxic CWAs were examined, including the nerve gases sarin and tabun, and the blister agents mustard gas (HD) and Lewisite 1 (L1). Soft ionization was performed using corona discharge to form reactant ions, and the ions were sent in the direction opposite to the airflow by an electric field to eliminate the interfering neutral molecules such as ozone and nitrogen oxide. This resulted in efficient ionization of the target CWAs, especially in the negative ionization mode. Quadrupole MS (QMS) and ion trap tandem MS (ITMS) instruments were developed and investigated, which were movable on the building floor. For sarin, tabun, and HD, the protonated molecular ions and their fragment ions were observed in the positive ion mode. For L1, the chloride adduct ions of L1 hydrolysis products were observed in negative ion mode. The limit of detection (LOD) values in real-time or for a 1 s measurement monitoring the characteristic ions were between 1 and 8 μg/m(3) in QMS instrument. Collision-induced fragmentation patterns for the CWAs were observed in an ITMS instrument, and optimized combinations of the parent and daughter ion pairs were selected to achieve real-time detection with LOD values of around 1 μg/m(3). This is a first demonstration of sensitive and specific real-time detection of both positively and negatively ionizable CWAs by MS instruments used for field monitoring.

  1. Determination of volatile organic compounds including alcohols in refill fluids and cartridges of electronic cigarettes by headspace solid-phase micro extraction and gas chromatography-mass spectrometry.

    Science.gov (United States)

    Lim, Hyun-Hee; Shin, Ho-Sang

    2017-02-01

    An analytical method for the detection of 14 volatile organic compounds (VOCs) was developed to investigate VOCs in refill fluids and cartridges of electronic cigarettes (EC) using headspace solid-phase micro extraction (HS-SPME) coupled with gas chromatography-mass spectrometry (GC-MS). In total, 14 VOCs were identified and quantified in 283 flavored liquids, 21 nicotine liquids, and 12 disposable cartridges. The detected concentration ranges of the VOCs are as follows: benzene (0.008-2.28 mg L(-1)), toluene (0.006-0.687 mg L(-1)), ethylbenzene (0.01-1.21 mg L(-1)), m-xylene (0.002-1.13 mg L(-1)), p-xylene (0.007-2.8 mg L(-1)), o-xylene (0.004-2.27 mg L(-1)), styrene (0.011-0.339 mg L(-1)), ethyl acetate (0.3-669.9 mg L(-1)), ethanol (16-38,742 mg L(-1)), methanol (66-3375 mg L(-1)), pyridine (0.077-99.7 mg L(-1)), acetylpyrazine (0.077-147 mg L(-1)), 2,3,5-trimethylpyrazine (0.008-96.8 mg L(-1)), and octamethylcyclotetrasiloxane (0.1-57.2 mg L(-1)). Benzene, toluene, ethylbenzene, m-xylene, p-xylene, and o-xylene coexisted in samples, which may have originated from the use of petrogenic hydrocarbons as an extraction solvent for flavor and nicotine from natural plants. The maximum detected concentrations of benzene, methanol, and ethanol in liquid samples were found in quantities higher than their authorized maximum limits as residual solvents in pharmaceutical products.

  2. Tropical Greenhouse Measurements of Volatile Organic Compounds Using Switchable Reagent Ion Proton-Transfer-Reaction Time-of-Flight Mass Spectromety (PTR-TOF-MS)

    Science.gov (United States)

    Veres, P.; Auld, J.; Williams, J.

    2012-04-01

    In this presentation, we will summarize the results of measurements made in an approximately 1300 m3 tropical greenhouse at the Johannes Gutenberg University botanical garden in Mainz Germany conducted over a one month period. The greenhouse is home to a large variety of plant species from hot and humid regions of the world. The greenhouse is also host to several crops such as Cocoa and Cola Nut as well as ornamental plants. A particular focus of the species maintained are those which are considered ant plants, or plants which have an intimate relationship with ants in tropical habitats. Volatile organic compounds (VOCs) were measured using a Switchable Reagent Ion Proton-Transfer-Reaction Time-of-Flight Mass Spectrometer (PTR-TOF-MS) using H3O+, NO+, and O2+ ion chemistry. Measurements will be presented both for primary emissions observed in the closed greenhouse atmosphere as well as the oxidation products observed after the introduction of ambient ozone. The high resolving power (5000 m/Δm) of the time-of-flight instrument allows for the separation of isobaric species. In particular, both isoprene (68.1170 amu) and furan (68.0740 amu) were observed and separated as primary emissions during this study. The significance of this will be discussed in terms of both atmospheric implications as well as with respect to previous measurements of isoprene obtained using quadrupole PTR-MS where isobaric separation of these compounds is not possible. Additionally observed species (e.g. Methanol, Acetaldehyde, MVK and MEK) will be discussed in detail with respect to their behavior as a function of light, temperature and relative humidity. The overall instrument performance of the PTR-TOF-MS technique using the H3O+, NO+, and O2+ primary ions for the measurement of VOCs will be evaluated.

  3. Comparative Analysis of the Volatile Components in the Fresh Roots and Rhizomes of Curcuma wenyujin by Static Headspace Gas Chromatography Mass Spectrometry

    Institute of Scientific and Technical Information of China (English)

    FANG Fang; CHENG Zhi-Hong; GUO Yin-Long; CAI Yan-Ben

    2006-01-01

    Static headspace GC-MS method coupled with H/D exchange was firstly developed to determine and identify the volatile components in the fresh root and rhizome of Curcuma wenyujin. The TIC chromatograms of 3 batches of fresh roots harvested at different time showed significant difference in the volatile components: the constitution was the same but the content of them was different. More than 60 volatile components in fresh roots (Root of C.wenyujin) and rhizomes (Rhizome of C. wenyujin) of C. wenyujin were detected, of which 51 and 48 volatile components were identified respectively. The fresh roots and rhizomes of C. wenyujin were found to have the similar volatile components. The contents of these components were calibrated by the response of β-elemene. In addition,the principal active component, β-elemene, was further confirmed and relatively quantified by its standard.γ-terpinene showed obvious allylic hydrogen/deuterium exchange using deuterium oxide which gave a new method to identify some compounds containing allylic hydrogen. At the same time, the active hydrogen compounds were also further confirmed. The results show that HS-GC-MS method is a fast, simple and efficient way for the analysis of volatile components from medical plants.

  4. Development of an analytical method coupling cell membrane chromatography with gas chromatography-mass spectrometry via microextraction by packed sorbent and its application in the screening of volatile active compounds in natural products.

    Science.gov (United States)

    Li, Miao; Wang, Sicen; He, Langchong

    2015-01-01

    Natural products (NPs) are important sources of lead compounds in modern drug discovery. To facilitate the screening of volatile active compounds in NPs, we have developed a new biochromatography method that uses rat vascular smooth muscle cells (VSMC), which are rich in L-type calcium channels (LCC), to prepare the stationary phase. This integrated method, which couples cell membrane chromatography (CMC) with gas chromatography-mass spectrometry (GC-MS) via microextraction by packed sorbent (MEPS) technology, has been termed VSMC/CMC-MEPS-GC-MS. Methodological validation confirmed its specificity, reliability and convenience. Screening results for Radix Angelicae Dahuricae and Fructus Cnidii obtained using VSMC/CMC-MEPS-GC-MS were consistent with those obtained using VSMC/CMC-offline-GC-MS. MEPS connection plays as simplified solid-phase extraction and replaces the uncontrollable evaporation operation in reported offline connections, so our new method is supposed to be more efficient and reliable than the offline ones, especially for compounds that are volatile, thermally unstable or difficult to purify. In application, senkyunolide A and ligustilide were preliminary identified as the volatile active components in Rhizoma Chuanxiong. We have thus confirmed the suitability of VSMC/CMC-MEPS-GC-MS for volatile active compounds screening in NP. Copyright © 2014 Elsevier B.V. All rights reserved.

  5. Ripening-dependent metabolic changes in the volatiles of pineapple (Ananas comosus (L.) Merr.) fruit: II. Multivariate statistical profiling of pineapple aroma compounds based on comprehensive two-dimensional gas chromatography-mass spectrometry.

    Science.gov (United States)

    Steingass, Christof Björn; Jutzi, Manfred; Müller, Jenny; Carle, Reinhold; Schmarr, Hans-Georg

    2015-03-01

    Ripening-dependent changes of pineapple volatiles were studied in a nontargeted profiling analysis. Volatiles were isolated via headspace solid phase microextraction and analyzed by comprehensive 2D gas chromatography and mass spectrometry (HS-SPME-GC×GC-qMS). Profile patterns presented in the contour plots were evaluated applying image processing techniques and subsequent multivariate statistical data analysis. Statistical methods comprised unsupervised hierarchical cluster analysis (HCA) and principal component analysis (PCA) to classify the samples. Supervised partial least squares discriminant analysis (PLS-DA) and partial least squares (PLS) regression were applied to discriminate different ripening stages and describe the development of volatiles during postharvest storage, respectively. Hereby, substantial chemical markers allowing for class separation were revealed. The workflow permitted the rapid distinction between premature green-ripe pineapples and postharvest-ripened sea-freighted fruits. Volatile profiles of fully ripe air-freighted pineapples were similar to those of green-ripe fruits postharvest ripened for 6 days after simulated sea freight export, after PCA with only two principal components. However, PCA considering also the third principal component allowed differentiation between air-freighted fruits and the four progressing postharvest maturity stages of sea-freighted pineapples.

  6. Influence of harvest maturity and fruit logistics on pineapple (Ananas comosus [L.] Merr.) volatiles assessed by headspace solid phase microextraction and gas chromatography-mass spectrometry (HS-SPME-GC/MS).

    Science.gov (United States)

    Steingass, Christof B; Grauwet, Tara; Carle, Reinhold

    2014-05-01

    Profiling of volatiles from pineapple fruits was performed at four ripening stages using headspace solid-phase microextraction and gas chromatography-mass spectrometry (HS-SPME-GC/MS). In total, 142 volatiles were detected, of which 132 were identified. Multivariate data analysis was carried out to assess the effect of post-harvest storage on volatiles composition of green-ripe sea-freighted pineapple in comparison to air-freighted fruits harvested at full maturity. The latter fruits were characterised by volatiles described as potent odorants in pineapples, such as δ-octalactone, γ-lactones, 1-(E,Z)-3,5-undecatriene and 1,3,5,8-undecatetraene, as well as various methyl esters. In contrast, post-harvest storage of green-ripe sea-freighted fruits resulted in an increased formation of ethyl esters, acetates, acetoxy esters and alcohols, thus allowing the authentication of sea- and air-freighted pineapples, respectively. Particularly, compounds presumably derived from methyl-branched amino acid catabolism were identified in the fruits at later post-harvest stages. In addition, physicochemical traits were determined to characterise the fruit maturity stages.

  7. Comparisons of urban and rural PM10-2.5 and PM2.5 mass concentrations and semi-volatile fractions in northeastern Colorado

    Science.gov (United States)

    Clements, Nicholas; Hannigan, Michael P.; Miller, Shelly L.; Peel, Jennifer L.; Milford, Jana B.

    2016-06-01

    Coarse (PM10-2.5) and fine (PM2.5) particulate matter in the atmosphere adversely affect human health and influence climate. While PM2.5 is relatively well studied, less is known about the sources and fate of PM10-2.5. The Colorado Coarse Rural-Urban Sources and Health (CCRUSH) study measured PM10-2.5 and PM2.5 mass concentrations, as well as the fraction of semi-volatile material (SVM) in each size regime (SVM2.5, SVM10-2.5), from 2009 to early 2012 in Denver and comparatively rural Greeley, Colorado. Agricultural operations east of Greeley appear to have contributed to the peak PM10-2.5 concentrations there, but concentrations were generally lower in Greeley than in Denver. Traffic-influenced sites in Denver had PM10-2.5 concentrations that averaged from 14.6 to 19.7 µg m-3 and mean PM10-2.5 / PM10 ratios of 0.56 to 0.70, higher than at residential sites in Denver or Greeley. PM10-2.5 concentrations were more temporally variable than PM2.5 concentrations. Concentrations of the two pollutants were not correlated. Spatial correlations of daily averaged PM10-2.5 concentrations ranged from 0.59 to 0.62 for pairs of sites in Denver and from 0.47 to 0.70 between Denver and Greeley. Compared to PM10-2.5, concentrations of PM2.5 were more correlated across sites within Denver and less correlated between Denver and Greeley. PM10-2.5 concentrations were highest during the summer and early fall, while PM2.5 and SVM2.5 concentrations peaked in winter during periodic multi-day inversions. SVM10-2.5 concentrations were low at all sites. Diurnal peaks in PM10-2.5 and PM2.5 concentrations corresponded to morning and afternoon peaks of traffic activity, and were enhanced by boundary layer dynamics. SVM2.5 concentrations peaked around noon on both weekdays and weekends. PM10-2.5 concentrations at sites located near highways generally increased with wind speeds above about 3 m s-1. Little wind speed dependence was observed for the residential sites in Denver and Greeley. The mass

  8. Mechanisms of mass transport during coalescence-induced microfluidic drop dilution

    Science.gov (United States)

    Wang, William S.; Vanapalli, Siva A.

    2016-10-01

    Confinement-guided coalescence of drops in microfluidic devices is an effective means to manipulate the composition of individual droplets. Recently, Sun et al. [Lab Chip 11, 3949 (2011), 10.1039/c1lc20709a] have shown that coalescence between a long moving plug and an array of parked droplets in a microfluidic network can be used to flexibly manipulate the composition of the static droplet arrays. However, the transport mechanisms underlying this complex dilution process have not been elucidated. In this study, we develop phenomenological models and perform particle-based numerical simulations to identify the key mass transfer mechanisms influencing the concentration profiles of drops during coalescence-induced drop dilution. Motivated by experimental observations, in the simulations we consider (i) advection within the moving plug, (ii) diffusion in the moving plug and parked droplets, (iii) fluid advection due to initiation of coalescence, and (iv) advection in the coalesced plug due to the continuous phase flowing through the gutters in noncircular microchannels. We find that the dilution process is dominated by diffusion, recirculation in the moving plug, and gutter-flow-induced advection, but is only weakly affected by coalescence-induced advection. We show that the control parameters regulating dilution can be divided into those influencing the duration of mass transfer (e.g., plug length and velocity) and those affecting the rate of mass transfer (e.g., diffusion and gutter-flow-induced advection). Finally, we demonstrate that our simulations are able to predict droplet concentration profiles in experiments. The results from this study will allow better design of drop dilution microfluidic devices. Furthermore, the identification of gutter-flow-induced advection as an alternative mass transfer mechanism in two-phase flows could potentially lead to more efficient means of oil recovery from droplets trapped in porous media.

  9. Angular momentum transport efficiency in post-main sequence low-mass stars

    CERN Document Server

    Spada, F; Arlt, R; Deheuvels, S

    2016-01-01

    Context. Using asteroseismic techniques, it has recently become possible to probe the internal rotation profile of low-mass (~1.1-1.5 Msun) subgiant and red giant stars. Under the assumption of local angular momentum conservation, the core contraction and envelope expansion occurring at the end of the main sequence would result in a much larger internal differential rotation than observed. This suggests that angular momentum redistribution must be taking place in the interior of these stars. Aims. We investigate the physical nature of the angular momentum redistribution mechanisms operating in stellar interiors by constraining the efficiency of post-main sequence rotational coupling. Methods. We model the rotational evolution of a 1.25 Msun star using the Yale Rotational stellar Evolution Code. Our models take into account the magnetic wind braking occurring at the surface of the star and the angular momentum transport in the interior, with an efficiency dependent on the degree of internal differential rotati...

  10. The Sheath Transport Observer for the Redistribution of Mass (STORM) Image

    Science.gov (United States)

    Kuntz, Kip; Collier, Michael; Sibeck, David G.; Porter, F. Scott; Carter, J. A.; Cravens, Thomas; Omidi, N.; Robertson, Ina; Sembay, S.; Snowden, Steven L.

    2008-01-01

    All of the solar wind energy that powers magnetospheric processes passes through the magnetosheath and magnetopause. Global images of the magnetosheath and magnetopause boundary layers will resolve longstanding controversy surrounding fundamental phenomena that occur at the magnetopause and provide information needed to improve operational space weather models. Recent developments showing that soft X-rays (0.15-1 keV) result from high charge state solar wind ions undergoing charge exchange recombination through collisions with exospheric neutral atoms has led to the realization that soft X-ray imaging can provide global maps of the high-density shocked solar wind within the magnetosheath and cusps, regions lying between the lower density solar wind and magnetosphere. We discuss an instrument concept called the Sheath Transport Observer for the Redistribution of Mass (STORM), an X-ray imager suitable for simultaneously imaging the dayside magnetosheath, the magnetopause boundary layers, and the cusps.

  11. The Sheath Transport Observer for the Redistribution of Mass (STORM) Imager

    Science.gov (United States)

    Collier, Michael R.; Sibeck, David G.; Porter, F. Scott; Burch, J.; Carter, J. A.; Cravens, Thomas; Kuntz, Kip; Omidi, N.; Read, A.; Robertson, Ina; hide

    2010-01-01

    All of the solar wind energy that powers magnetospheric processes passes through the magnetosheath and magnetopause. Global images of the magnetosheath and magnetopause boundary layers will resolve longstanding controversies surrounding fundamental phenomena that occur at the magnetopause and provide information needed to improve operational space weather models. Recent developments showing that soft X-rays (0.15-1 keV) result from high charge state solar wind ions undergoing charge exchange recombination through collisions with exospheric neutral atoms has led to the realization that soft X-ray imaging can provide global maps of the high-density shocked solar wind within the magnetosheath and cusps, regions lying between the lower density solar wind and magnetosphere. We discuss an instrument concept called the Sheath Transport Observer for the Redistribution of Mass (STORM), an X-ray imager suitable for simultaneously imaging the dayside magnetosheath, the magnetopause boundary layers, and the cusps.

  12. Solvent-driven electron trapping and mass transport in reduced graphites to access perfect graphene

    Science.gov (United States)

    Vecera, Philipp; Holzwarth, Johannes; Edelthalhammer, Konstantin F.; Mundloch, Udo; Peterlik, Herwig; Hauke, Frank; Hirsch, Andreas

    2016-08-01

    Herein, we report on a significant discovery, namely, the quantitative discharging of reduced graphite forms, such as graphite intercalation compounds, graphenide dispersions and graphenides deposited on surfaces with the simple solvent benzonitrile. Because of its comparatively low reduction potential, benzonitrile is reduced during this process to the radical anion, which exhibits a red colour and serves as a reporter molecule for the quantitative determination of negative charges on the carbon sheets. Moreover, this discovery reveals a very fundamental physical-chemical phenomenon, namely a quantitative solvent reduction induced and electrostatically driven mass transport of K+ ions from the graphite intercalation compounds into the liquid. The simple treatment of dispersed graphenides suspended on silica substrates with benzonitrile leads to the clean conversion to graphene. This unprecedented procedure represents a rather mild, scalable and inexpensive method for graphene production surpassing previous wet-chemical approaches.

  13. The Sheath Transport Observer for the Redistribution of Mass (STORM) Image

    Science.gov (United States)

    Kuntz, Kip; Collier, Michael; Sibeck, David G.; Porter, F. Scott; Carter, J. A.; Cravens, Thomas; Omidi, N.; Robertson, Ina; Sembay, S.; Snowden, Steven L.

    2008-01-01

    All of the solar wind energy that powers magnetospheric processes passes through the magnetosheath and magnetopause. Global images of the magnetosheath and magnetopause boundary layers will resolve longstanding controversy surrounding fundamental phenomena that occur at the magnetopause and provide information needed to improve operational space weather models. Recent developments showing that soft X-rays (0.15-1 keV) result from high charge state solar wind ions undergoing charge exchange recombination through collisions with exospheric neutral atoms has led to the realization that soft X-ray imaging can provide global maps of the high-density shocked solar wind within the magnetosheath and cusps, regions lying between the lower density solar wind and magnetosphere. We discuss an instrument concept called the Sheath Transport Observer for the Redistribution of Mass (STORM), an X-ray imager suitable for simultaneously imaging the dayside magnetosheath, the magnetopause boundary layers, and the cusps.

  14. Mass transport and direction dependent battery modeling for accurate on-line power capability prediction

    Energy Technology Data Exchange (ETDEWEB)

    Wiegman, H.L.N. [General Electric Corporate Research and Development, Schenectady, NY (United States)

    2000-07-01

    Some recent advances in battery modeling were discussed with reference to on-line impedance estimates and power performance predictions for aqueous solution, porous electrode cell structures. The objective was to determine which methods accurately estimate a battery's internal state and power capability while operating a charge and sustaining a hybrid electric vehicle (HEV) over a wide range of driving conditions. The enhancements to the Randles-Ershler equivalent electrical model of common cells with lead-acid, nickel-cadmium and nickel-metal hydride chemistries were described. This study also investigated which impedances are sensitive to boundary layer charge concentrations and mass transport limitations. Non-linear impedances were shown to significantly affect the battery's ability to process power. The main advantage of on-line estimating a battery's impedance state and power capability is that the battery can be optimally sized for any application. refs., tabs., figs., append.

  15. A biphasic hyperelastic model for the analysis of fluid and mass transport in brain tissue.

    Science.gov (United States)

    García, José Jaime; Smith, Joshua H

    2009-02-01

    A biphasic hyperelastic finite element model is proposed for the description of the mechanical behavior of brain tissue. The model takes into account finite deformations through an Ogden-type hyperelastic compressible function and a hydraulic conductivity dependent on deformation. The biphasic equations, implemented here for spherical symmetry using an updated Lagrangian algorithm, yielded radial coordinates and fluid velocities that were used with the convective-diffusive equation in order to predict mass transport in the brain. Results of the model were equal to those of a closed-form solution under infinitesimal deformations, however, for a wide range of material parameters, the model predicted important increments in the infusion sphere, reductions of the fluid velocities, and changes in the species content distribution. In addition, high localized deformation and stresses were obtained at the infusion sphere. Differences with the infinitesimal solution may be mainly attributed to geometrical nonlinearities related to the increment of the infusion sphere and not to material nonlinearities.

  16. Loss of cabin pressure in a military transport: a mass casualty with decompression illnesses.

    Science.gov (United States)

    Johnston, Mickaila J

    2008-04-01

    Presented here is the sudden cabin depressurization of a military C-130 aircraft carrying 66 personnel. They suffered a depressurization from 2134 to 7317 m, resulting in a potential 66-person mass casualty. The aircrew were able to descend to below 3049 m in less than 5 min. They landed in the Kingdom of Bahrain--the nearest hyperbaric recompression facility. Three cases of peripheral neurologic DCS and one case of spinal DCS were identified. Limited manning, unique host nation concerns, and limited available assets led to difficulties in triage, patient transport, and asset allocation. These led to difficult decisions regarding when and for whom to initiate ground level oxygen or hyperbaric recompression therapy.

  17. Contribution of di-SIA to mass transport in Fe-Cr alloys

    Science.gov (United States)

    Ryabov, V. A.; Pechenkin, V. A.; Molodtsov, V. L.; Terentyev, D.

    2016-04-01

    Molecular dynamics simulations have been performed to study the diffusion characteristics of di-self interstitial atom (di-SIA) in BCC Fe-Cr alloys and corresponding mass transport of Fe and Cratoms in the temperature range 600-1000 K in the alloys with Cr content 5-25 at%, which is relevant for ferritic/martensitic steels. An original treatment is proposed in this work to account for a mixed migration mode composed of the diffusion of the cluster itself and break-up into a pair of independent SIAs. The ratio of self-diffusion coefficients of Cr and Fe is found to exceed unity in Fe-5Cr and Fe-10Cr alloys, which implies that under cascade-producing damage, 3D-migrating small SIA clusters will effectively contribute to the segregation of Cr to neutral and SIA-preferential sinks, eventually causing radiation induced segregation.

  18. Mass transport aspects of polymer electrolyte fuel cells under two-phase flow conditions

    Energy Technology Data Exchange (ETDEWEB)

    Kramer, D.

    2007-03-15

    This well-illustrated, comprehensive dissertation by Dr. Ing. Denis Kramer takes an in-depth look at polymer electrolyte fuel cells (PEFC) and the possibilities for their application. First of all, the operating principles of polymer electrolyte fuel cells are described and discussed, whereby thermodynamics aspects and loss mechanisms are examined. The mass transport diagnostics made with respect to the function of the cells are discussed. Field flow geometry, gas diffusion layers and, amongst other things, liquid distribution, the influence of flow direction and the low-frequency behaviour of air-fed PEFCs are discussed. Direct methanol fuel cells are examined, as are the materials chosen. The documentation includes comprehensive mathematical and graphical representations of the mechanisms involved.

  19. A Comprehensive Flow, Heat and Mass Transport Uncertainty Quantification in Discrete Fracture Network Systems

    Science.gov (United States)

    Ezzedine, S. M.

    2010-12-01

    Fractures and fracture networks are the principle pathways for migration of water, heat and mass in enhanced geothermal systems, oil and gas reservoirs, CO2 leakage from saline aquifers, and radioactive and toxic industrial wastes from underground storage repositories. A major issue to overcome when characterizing a fractured reservoir is that of data limitation due to accessibility and affordability. Moreover, the ability to map discontinuities in the rock with available geological and geophysical tools tends to decrease particularly as the scale of the discontinuity goes down. Geological characterization data include measurements of fracture density, orientation, extent, and aperture, and are based on analysis of outcrops, borehole optical and acoustic televiewer logs, aerial photographs, and core samples among others. All of these measurements are taken at the field scale through a very sparse limited number of deep boreholes. These types of data are often reduced to probability distributions function for predictive modeling and simulation in a stochastic framework such as stochastic discrete fracture network. Stochastic discrete fracture network models enable, through Monte Carlo realizations and simulations, for probabilistic assessment of flow and transport phenomena that are not adequately captured using continuum models. Despite the fundamental uncertainties inherited within the probabilistic reduction of the sparse data collected, very little work has been conducted on quantifying uncertainty on the reduced probabilistic distribution functions. In the current study, using nested Monte Carlo simulations, we present the impact of parameter uncertainties of the distribution functions that characterize discrete fracture networks on the flow, heat and mass transport. Numerical results of first, second and third moments, normalized to a base case scenario, are presented and compared to theoretical results extended from percolation theory.

  20. Optimal-mass-transfer-based estimation of glymphatic transport in living brain

    Science.gov (United States)

    Ratner, Vadim; Zhu, Liangjia; Kolesov, Ivan; Nedergaard, Maiken; Benveniste, Helene; Tannenbaum, Allen

    2015-03-01

    It was recently shown that the brain-wide cerebrospinal fluid (CSF) and interstitial fluid exchange system designated the `glymphatic pathway' plays a key role in removing waste products from the brain, similarly to the lymphatic system in other body organs . It is therefore important to study the flow patterns of glymphatic transport through the live brain in order to better understand its functionality in normal and pathological states. Unlike blood, the CSF does not flow rapidly through a network of dedicated vessels, but rather through para-vascular channels and brain parenchyma in a slower time-domain, and thus conventional fMRI or other blood-flow sensitive MRI sequences do not provide much useful information about the desired flow patterns. We have accordingly analyzed a series of MRI images, taken at different times, of the brain of a live rat, which was injected with a paramagnetic tracer into the CSF via the lumbar intrathecal space of the spine. Our goal is twofold: (a) find glymphatic (tracer) flow directions in the live rodent brain; and (b) provide a model of a (healthy) brain that will allow the prediction of tracer concentrations given initial conditions. We model the liquid flow through the brain by the diffusion equation. We then use the Optimal Mass Transfer (OMT) approach to derive the glymphatic flow vector field, and estimate the diffusion tensors by analyzing the (changes in the) flow. Simulations show that the resulting model successfully reproduces the dominant features of the experimental data. Keywords: inverse problem, optimal mass transport, diffusion equation, cerebrospinal fluid flow in brain, optical flow, liquid flow modeling, Monge Kantorovich problem, diffusion tensor estimation

  1. Vertical and horizontal transport of mesospheric Na: Implications for the mass influx of cosmic dust

    Science.gov (United States)

    Gardner, Chester S.; Liu, Alan Z.; Guo, Yafang

    2017-09-01

    The mesospheric metal layers are formed by the vaporization of high-speed cosmic dust particles as they enter the Earth's upper atmosphere. We show that the downward fluxes of these metal atoms, induced locally by waves and turbulence, are related in a straightforward way to the meteoric influxes of the metals, their chemical losses and their advective transport by the large-scale vertical and horizontal motions associated with the meridional circulation system. Above the peak of the metal layers where chemical losses and large-scale vertical motions are small, the wave-induced flux is insensitive to changes in local wave activity. If the downward transport velocity increases, because wave activity increases, then in response, the metal densities will decrease to maintain a constant vertical flux. By fitting the theoretical Na flux profile to the annual mean vertical flux profile measured during the night at the Starfire Optical Range, NM, we derive improved estimates for the global influxes of both Na and cosmic dust. The mean Na influx is 22,500±1050 atoms/cm2/s, which equals 389±18 kg/d for the global input of Na vapor. If the Na composition of the dust particles is identical to CI chondritic meteorites (4990 ppm by mass), then the global influx of cosmic dust is 176±38 t/d. If the composition is identical to ordinary chondrites (7680 ppm), the global dust influx is 107±22 t/d.

  2. Passive mass transport for direct and quantitative SERS detection using purified silica encapsulated metal nanoparticles

    Science.gov (United States)

    Shrestha, Binaya Kumar

    This thesis focuses on understanding implications of nanomaterial quality control and mass transport through internally etched silica coated nanoparticles for direct and quantitative molecular detection using surface enhanced Raman scattering (SERS). Prior to use, bare nanoparticles (partially or uncoated with silica) are removal using column chromatography to improve the quality of these nanomaterials and their SERS reproducibility. Separation of silica coated nanoparticles with two different diameters is achieved using Surfactant-free size exclusion chromatography with modest fractionation. Next, selective molecular transport is modeled and monitored using SERS and evaluated as a function of solution ionic strength, pH, and polarity. Molecular detection is achieved when the analytes first partition through the silica membrane then interact with the metal surface at short distances (i.e., less than 2 nm). The SERS intensities of unique molecular vibrational modes for a given molecule increases as the number of molecules that bind to the metal surface increases and are enhanced via both chemical and electromagnetic enhancement mechanisms as long as the vibrational mode has a component of polarizability tensor along the surface normal. SERS signals increase linearly with molecular concentration until the three-dimensional SERS-active volume is saturated with molecules. Implications of molecular orientation as well as surface selection rules on SERS intensities of molecular vibrational modes are studied to improve quantitative and reproducible SERS detection using internally etched Ag Au SiO2 nanoparticles. Using the unique vibrational modes, SERS intensities for p-aminothiophenol as a function of metal core compositions and plasmonics are studied. By understanding molecular transport mechanisms through internally etched silica matrices coated on metal nanoparticles, important experimental and materials design parameters are learned, which can be subsequently applied

  3. SPME-GC-MS versus Selected Ion Flow Tube Mass Spectrometry (SIFT-MS) analyses for the study of volatile compound generation and oxidation status during dry fermented sausage processing.

    Science.gov (United States)

    Olivares, Alicia; Dryahina, Kseniya; Navarro, José Luis; Smith, David; Spanĕl, Patrik; Flores, Mónica

    2011-03-09

    The use of selected ion flow tube mass spectrometry (SIFT-MS) and gas chromatography-mass spectrometry together with solid phase microextraction (GC-MS-SPME) has been compared in the analysis of volatile compounds during dry fermented sausage processing. Thus, the headspace (HS) of samples of dry fermented sausages with different fat contents was analyzed during their manufacture using both techniques, and significant and positive correlations were found between SIFT-MS and SPME-GC-MS measurements for the compounds pentanal, hexanal, 2-heptenal, octanal, 2-nonenal, 2-butanone, 2-pentanone, ethanol, acetic acid, and hexanoic acid. The oxidative status of fermented sausages during processing was also evaluated, and a significant correlation was obtained between the HS concentration of lipid autoxidation volatile compounds measured by SIFT-MS and SPME-GC-MS and the level of thiobarbituric acid reactive substances (TBARS) in the sausage. The hexanal measured by SIFT-MS resulted in a higher correlation coefficient (r = 0.936) than that obtained using SPME-GC-MS (r = 0.927). SIFT-MS is shown to be a fast, real time analytical technique for monitoring changes in the profile of volatile compounds in dry fermented sausages during processing and a useful tool to evaluate the oxidative status of meat products.

  4. Ripening-dependent metabolic changes in the volatiles of pineapple (Ananas comosus (L.) Merr.) fruit: I. Characterization of pineapple aroma compounds by comprehensive two-dimensional gas chromatography-mass spectrometry.

    Science.gov (United States)

    Steingass, Christof Björn; Carle, Reinhold; Schmarr, Hans-Georg

    2015-03-01

    Qualitative ripening-dependent changes of pineapple volatiles were studied via headspace solid-phase microextraction and analyzed by comprehensive two-dimensional gas chromatography quadrupole mass spectrometry (HS-SPME-GC×GC-qMS). Early green-ripe stage, post-harvest ripened, and green-ripe fruits at the end of their commercial shelf-life were compared to air-freighted pineapples harvested at full maturity. In total, more than 290 volatiles could be identified by mass spectrometry and their linear retention indices. The majority of compounds comprise esters (methyl and ethyl esters of saturated and unsaturated fatty acids, acetates), terpenes, alcohols, aldehydes, 2-ketones, free fatty acids, and miscellaneous γ- and δ-lactones. The structured separation space obtained by GC×GC allowed revealing various homologous series of compound classes as well as clustering of sesquiterpenes. Post-harvest ripening increased the diversity of the volatile profile compared to both early green-ripe maturity stages and on-plant ripened fruits.

  5. Dynamics and mass transport of solutal convection in a closed porous media system

    Science.gov (United States)

    Wen, Baole; Akhbari, Daria; Hesse, Marc

    2016-11-01

    Most of the recent studies of CO2 sequestration are performed in open systems where the constant partial pressure of CO2 in the vapor phase results in a time-invariant saturated concentration of CO2 in the brine (Cs). However, in some closed natural CO2 reservoirs, e.g., Bravo Dome in New Mexico, the continuous dissolution of CO2 leads to a pressure drop in the gas that is accompanied by a reduction of Cs and thereby affects the dynamics and mass transport of convection in the brine. In this talk, I discuss the characteristics of convective CO2 dissolution in a closed system. The gas is assumed to be ideal and its solubility given by Henry's law. An analytical solution shows that the diffusive base state is no longer self-similar and that diffusive mass transfer declines rapidly. Scaling analysis reveals that the volume ratio of brine and gas η determines the behavior of the system. DNS show that no constant flux regime exists for η > 0 nevertheless, the quantity F /Cs2 remains constant, where F is the dissolution flux. The onset time is only affected by η when the Rayleigh number Ra is small. In this case, the drop in Cs during the initial diffusive regime significantly reduces the effective Ra and therefore delays the onset.

  6. Interpolation of longitudinal shape and image data via optimal mass transport

    Science.gov (United States)

    Gao, Yi; Zhu, Liang-Jia; Bouix, Sylvain; Tannenbaum, Allen

    2014-03-01

    Longitudinal analysis of medical imaging data has become central to the study of many disorders. Unfortunately, various constraints (study design, patient availability, technological limitations) restrict the acquisition of data to only a few time points, limiting the study of continuous disease/treatment progression. Having the ability to produce a sensible time interpolation of the data can lead to improved analysis, such as intuitive visualizations of anatomical changes, or the creation of more samples to improve statistical analysis. In this work, we model interpolation of medical image data, in particular shape data, using the theory of optimal mass transport (OMT), which can construct a continuous transition from two time points while preserving "mass" (e.g., image intensity, shape volume) during the transition. The theory even allows a short extrapolation in time and may help predict short-term treatment impact or disease progression on anatomical structure. We apply the proposed method to the hippocampus-amygdala complex in schizophrenia, the heart in atrial fibrillation, and full head MR images in traumatic brain injury.

  7. Numerical investigation of interface region flows in mass spectrometers: neutral gas transport

    Energy Technology Data Exchange (ETDEWEB)

    Jugroot, Manish [Institute for Aerospace Studies, University of Toronto, 4925 Dufferin Street, Toronto, Ontario, M3H 5T6 (Canada); Groth, Clinton P T [Institute for Aerospace Studies, University of Toronto, 4925 Dufferin Street, Toronto, Ontario, M3H 5T6 (Canada); Thomson, Bruce A [MDS SCIEX, 71 Four Valley Drive, Concord, Ontario, L4K 4V8 (Canada); Baranov, Vladimir [MDS SCIEX, 71 Four Valley Drive, Concord, Ontario, L4K 4V8 (Canada); Collings, Bruce A [MDS SCIEX, 71 Four Valley Drive, Concord, Ontario, L4K 4V8 (Canada)

    2004-04-21

    The supersonic jet flows of neutral gas from atmospheric to near-vacuum conditions in the interface region of mass-spectrometer systems is investigated by continuum-based (fluid) numerical simulations. An enhanced understanding of the neutral gas transport is of paramount importance to fully understand flows in the interface region of mass spectrometers, for it is the neutral dynamics that governs and drives the ions from the high pressure ion source through the interface orifice towards the ion optics and detector subsystems. The key features and structure of the complex neutral gas flow are examined and the influence of large pressure differences imposed across the interface region, orifice geometry, and gas skimmer configuration used for flow control are assessed. The flow structure is shown to be that of a classical under-expanded free jet for 'skimmer-absent' cases and very good agreement between the numerical predictions and empirical and experimental values is demonstrated. For the 'skimmer-present' cases, the shock structure downstream of the orifice and skimmer is identified and fully described and its influences on the flow skimming and focusing processes are discussed.

  8. Back to the primordial universe by a monge-ampere-kantorovich mass transportation method

    Science.gov (United States)

    Frisch, U.

    2003-04-01

    The Monge-Kantorovich mass transportation problem dates back to work by Monge in 1781 on how to optimally move earth from one place to another, knowing only the initial and final landscapes, the cost being a prescribed function of the distance travelled by "molecules" of earth. We solve the cosmological reconstruction problem of mapping the present locations of (mostly dark) matter, to their primordial locations, knowing only the current field of mass density, e.g. from a full-sky galaxy catalogue or a numerical simulation. Under the assumption that the map is close to potential, we reduce the problem to solving a nonlinear partial differential equation, originally written by Ampere in 1820, now known as the Monge-Ampere equation. Thanks to recent work by Y. Brenier, this becomes a Monge-Kantorovich problem with quadratic cost function and, in discretised form, an assignment problem: find the pairing between N departure and N arrival points which minimises the sum of the squared distances between paired points. The latter can be solved very efficiently by the auction algorithm of Bertsekas. When tested against N-body cosmological simulations, excellent reconstruction is obtained above a few megaparsecs. Based on the paper Frisch-Matarrese-Mohayaee-Sobolevski Nature 417, 260-262 (16 May 2002).

  9. Mass transport of heavy metal ions and radon in gels used as sealing agents in containment technologies

    Energy Technology Data Exchange (ETDEWEB)

    Lakatos, I.; Bauer, K.; Lakatos-Szabo, J. [Research Lab. for Mining Chemistry, Miskolc-Egyetemvaros (Hungary); Kretzschmar, H.J. [DBI Gas- und Umwelttechnik GmbH, Feiberg (Germany)

    1997-12-31

    The diffusion and hydrodynamic mass transport of multivalent cations, mostly Cr(III) and Cr(VI) ions and radon in polymer/silicate gels and Montanwax emulsions were studied. It was concluded that the self-conforming gels may decrease the hydrodynamic mass transport in porous and fractured media by 4-6 orders of magnitude. In water saturated systems, however, the diffusion transport can be restricted by hydrogels only to a moderate extent. On the other hand, the high and selective retention capacity of gels towards different diffusing species may open new vistas in the sealing technologies. Similar results were obtained for transport phenomena of radon. The almost perfect quenching process of radon and its nuclides in gels and emulsions further enhances the positive effects of the encapsulation methods. The laboratory experiments provided valuable new information to design the different containment technologies.

  10. Mass Transport Deposits in the Santaren Channel: Distribution, Characteristics, and Potential Triggering Mechanisms

    Science.gov (United States)

    Schnyder, J.

    2015-12-01

    Submarine slope failures are a likely cause for tsunami generation along the East U.S. coast. A possible source are the large slope failures along western Great Bahama Bank (GBB). Numerical models simulate tsunami generation and propagation through the Straits of Florida, caused by these Pleistocene mass wasting events. In order to estimate the likelihood and extent of future landslides, distribution, characteristics, and possible triggering mechanisms of previous failures and their associated mass transport deposits (MTD) have to be investigated. In 2013, the University of Hamburg acquired 2D high-resolution multichannel seismic data, multibeam data, and subbottom profiles inside the Santaren Channel, along the slopes of western GBB and Cay Sal Bank (CSB). The two platforms are different in two ways. CSB is part of the Cuban Fold and Thrust Belt while GBB is situated in a tectonically quiet zone. In addition, the slopes of western GBB are on the leeward side of the bank, while the eastern slopes of CSB are in a windward position. Differences in nature and size of mass wasting events between the Cay Sal side and the western GBB side of the dataset show how influential the tectonically active Cuban Fold and Thrust Belt is to the generation of large MTDs in this area. In the study area, the slope failures can be divided in two categories; small-scale in situ failures with high frequencies on the slopes, dominant on the western GBB side, and large landslides with a lower frequency, but higher volumes and transport distances on the toe of the slope and in the basin, dominant on the Cay Sal side. The distribution of in situ failures, such as slump and debris flow alternation, shows the interplay between high and low inner strength of the sediment, respectively. On the other hand, large MTDs caused by submarine landslides suggest movement in an unconfined manner. Internal sediment preconditions derived from sea level oscillations are suggested as triggering mechanisms

  11. 41 CFR 102-34.210 - May I use a Government motor vehicle for transportation between places of employment and mass...

    Science.gov (United States)

    2010-07-01

    ... motor vehicle for transportation between places of employment and mass transit facilities? 102-34.210... of employment and mass transit facilities? Yes, you may use a Government motor vehicle for transportation between places of employment and mass transit facilities under the following conditions: (a)...

  12. Atomistic Simulations of Mass and Thermal Transport in Oxide Nuclear Fuels

    Energy Technology Data Exchange (ETDEWEB)

    Andersson, Anders D. [Los Alamos National Laboratory; Uberuaga, Blas P. [Los Alamos National Laboratory; Du, Shiyu [Los Alamos National Laboratory; Liu, Xiang-Yang [Los Alamos National Laboratory; Nerikar, Pankaj [IBM; Stanek, Christopher R. [Los Alamos National Laboratory; Tonks, Michael [Idaho National Laboratory; Millet, Paul [Idaho National Laboratory; Biner, Bulent [Idaho National Laboratory

    2012-06-04

    In this talk we discuss simulations of the mass and thermal transport in oxide nuclear fuels. Redistribution of fission gases such as Xe is closely coupled to nuclear fuel performance. Most fission gases have low solubility in the fuel matrix, specifically the insolubility is most pronounced for large fission gas atoms such as Xe, and as a result there is a significant driving force for segregation of gas atoms to grain boundaries or dislocations and subsequently for nucleation of gas bubbles at these sinks. The first step of the fission gas redistribution is diffusion of individual gas atoms through the fuel matrix to existing sinks, which is governed by the activation energy for bulk diffusion. Fission gas bubbles are then formed by either separate nucleation events or by filling voids that were nucleated at a prior stage; in both cases their formation and latter growth is coupled to vacancy dynamics and thus linked to the production of vacancies via irradiation or thermal events. In order to better understand bulk Xe behavior (diffusion mechanisms) in UO{sub 2{+-}x} we first calculate the relevant activation energies using density functional theory (DFT) techniques. By analyzing a combination of Xe solution thermodynamics, migration barriers and the interaction of dissolved Xe atoms with U, we demonstrate that Xe diffusion predominantly occurs via a vacancy-mediated mechanism, though other alternatives may exist in high irradiation fields. Since Xe transport is closely related to diffusion of U vacancies, we have also studied the activation energy for this process. In order to explain the low value of 2.4 eV found for U migration from independent damage experiments (not thermal equilibrium) the presence of vacancy clusters must be included in the analysis. Next a continuum transport model for Xe and U is formulated based on the diffusion mechanisms established from DFT. After combining this model with descriptions of the interaction between Xe and grain

  13. Mass Conservation in a Chemical Transport Model and its Effect on CO2 and SF6 Simulations

    Science.gov (United States)

    Zhu, Z.; Weaver, C.; Kawa, S. R.; Douglass, A. R.; Bhartia, P. K. (Technical Monitor)

    2002-01-01

    Chemical transport models (CTMs) must conserve mass to be useful for applications involving assessment of the effect of various pollutants on the troposphere and stratosphere. Furthermore, calculations of the evolution of constituents such as SF6 are used to evaluate overall model transport, and interpretation of such simulations is clouded if mass conservation is not assured. For realistic simulations or predictions, it is crucial that constituents are not produced or lost by transport or other processes in the CTMs. Analysis of CO2 and SF6 experiments using a CTM shows that problems with mass conservation can seriously degrade the simulations. Failure to conserve mass results from inconsistency of the surface pressure tendency and the divergence of horizontal mass flux when the model is forced by assimilated meteorological data. We have developed an effective method to eliminate the inconsistency by modifying the divergent part of the wind field. The changes in the wind fields are quite small but the impact on mass conservation is large. Parameterizations of physical processes such as convection or turbulent transport can also affect mass conservation. The lack of conservation is small but accumulates when integrations are lengthy such as required for SF6. This lack of conservation is found using winds from either a GCM or from an assimilation system. A simple adjustment removes much of the inaccuracy in the convective parameterization. A CO2 simulation using assimilated winds from the most recent version of the Goddard Earth Observing System Data Assimilation System will be used to illustrate the impact of these transport improvements.

  14. Comparisons of urban and rural PM10−2.5 and PM2.5 mass concentrations and semi-volatile fractions in Northeastern Colorado

    Directory of Open Access Journals (Sweden)

    N. Clements

    2015-09-01

    Full Text Available Coarse (PM10−2.5 and fine (PM2.5 particulate matter in the atmosphere adversely affect human health and influence climate. While PM2.5 is relatively well studied, less is known about the sources and fate of PM10−2.5. The Colorado Coarse Rural-Urban Sources and Health (CCRUSH study measured PM10−2.5 and PM2.5 mass concentrations, as well as the fraction of semi-volatile material (SVM in each size regime (SVM2.5, SVM10−2.5, for three years in Denver and comparatively rural Greeley, Colorado. Agricultural operations east of Greeley appear to have contributed to the peak PM10−2.5 concentrations there, but concentrations were generally lower in Greeley than in Denver. Traffic-influenced sites in Denver had PM10−2.5 concentrations that averaged from 14.6 to 19.7 μg m−3 and mean PM10−2.5/PM10 ratios of 0.56 to 0.70, higher than at residential sites in Denver or Greeley. PM10−2.5 concentrations were more temporally variable than PM2.5 concentrations. Concentrations of the two pollutants were not correlated. Spatial correlations of daily averaged PM10−2.5 concentrations ranged from 0.59 to 0.62 for pairs of sites in Denver and from 0.47 to 0.70 between Denver and Greeley. Compared to PM10−2.5, concentrations of PM2.5 were more correlated across sites within Denver and less correlated between Denver and Greeley. PM10−2.5 concentrations were highest during the summer and early fall, while PM2.5 and SVM2.5 concentrations peaked in winter during periodic multi-day inversions. SVM10−2.5 concentrations were low at all sites. Diurnal peaks in PM10−2.5 and PM2.5 concentrations corresponded to morning and afternoon peaks of traffic activity, and were enhanced by boundary layer dynamics. SVM2.5 concentrations peaked around noon on both weekdays and weekends. PM10−2.5 concentrations at sites located near highways generally increased with wind speeds above about 3 m s−1. Little wind speed dependence was observed for the residential

  15. Determination of volatile organic compounds in water by headspace solid-phase microextraction gas chromatography coupled to tandem mass spectrometry with triple quadrupole analyzer

    Energy Technology Data Exchange (ETDEWEB)

    Cervera, M.I. [Research Institute for Pesticides and Water, University Jaume I, Avda. Sos Baynat, E-12071 Castellon (Spain); Beltran, J., E-mail: joaquim.beltran@uji.es [Research Institute for Pesticides and Water, University Jaume I, Avda. Sos Baynat, E-12071 Castellon (Spain); Lopez, F.J.; Hernandez, F. [Research Institute for Pesticides and Water, University Jaume I, Avda. Sos Baynat, E-12071 Castellon (Spain)

    2011-10-17

    Highlights: {yields} Employing a statistical optimization improves results reducing experiments. {yields} Use of MS (QqQ) allows high sensitivity determination and improves identification capabilities. {yields} Using Q/q intensity ratios is a powerful tool to ensure compound identification. {yields} HS SPME GC-MS/MS method allows determination of VOCs in complex matrix water samples. - Abstract: In the present work, a rapid method with little sample handling has been developed for determination of 23 selected volatile organic compounds in environmental and wastewater samples. The method is based on headspace solid-phase microextraction (SPME) followed by gas chromatography coupled to tandem mass spectrometry (GC-MS/MS) determination using triple quadrupole analyzer (QqQ) in electron ionization mode. The best conditions for extraction were optimised with a factorial design taking into account the interaction between different parameters and not only individual effects of variables. In the optimized procedure, 4 mL of water sample were extracted using a 10 mL vial and adding 0.4 g NaCl (final NaCl content of 10%). An SPME extraction with carboxen/polydimethylsiloxane 75 {mu}m fiber for 30 min at 50 deg. C (with 5 min of previous equilibration time) with magnetic stirring was applied. Chromatographic determination was carried out by GC-MS/MS working in Selected Reaction Monitoring (SRM) mode. For most analytes, two MS/MS transitions were acquired, although for a few compounds it was difficult to obtain characteristic abundant fragments. In those cases, a pseudo selected reaction monitoring (pseudo-SRM) with three ions was used instead. The intensity ratio between quantitation (Q) and confirmation (q) signals was used as a confirmatory parameter. The method was validated by means of recovery experiments (n = 6) spiking mineral water samples at three concentration levels (0.1, 5 and 50 {mu}g L{sup -1}). Recoveries between 70% and 120% were generally obtained with

  16. Comprehensive two-dimensional gas chromatography-mass spectrometry analysis of volatile constituents in Thai vetiver root oils obtained by using different extraction methods.

    Science.gov (United States)

    Pripdeevech, Patcharee; Wongpornchai, Sugunya; Marriott, Philip J

    2010-01-01

    Vetiver root oil is known as one of the finest fixatives used in perfumery. This highly complex oil contains more than 200 components, which are mainly sesquiterpene hydrocarbons and their oxygenated derivatives. Since conventional GC-MS has limitation in terms of separation efficiency, the comprehensive two-dimensional GC-MS (GC x GC-MS) was proposed in this study as an alternative technique for the analysis of vetiver oil constituents. To evaluate efficiency of the hyphenated GC x GC-MS technique in terms of separation power and sensitivity prior to identification and quantitation of the volatile constituents in a variety of vetiver root oil samples. METHODOLOGY. Dried roots of Vetiveria zizanioides were subjected to extraction using various conditions of four different methods; simultaneous steam distillation, supercritical fluid, microwave-assisted, and Soxhlet extraction. Volatile components in all vetiver root oil samples were separated and identified by GC-MS and GC x GC-MS. The relative contents of volatile constituents in each vetiver oil sample were calculated using the peak volume normalization method. Different techniques of extraction had diverse effects on yield, physical and chemical properties of the vetiver root oils obtained. Overall, 64 volatile constituents were identified by GC-MS. Among the 245 well-resolved individual components obtained by GC x GC-MS, the additional identification of 43 more volatiles was achieved. In comparison with GC-MS, GC x GC-MS showed greater ability to differentiate the quality of essential oils obtained from diverse extraction conditions in terms of their volatile compositions and contents.

  17. Using mass spectrometry for identification of ABC transporters from Xanthomonas citri and mutants expressed in different growth conditions

    Energy Technology Data Exchange (ETDEWEB)

    Faria, J.N.; Balan, A. [Laboratorio Nacional de Biociencias - LNBIO, Campinas, SP (Brazil); Paes Leme, A.F. [Laboratorio Nacional de Luz Sincrotron (LNLS), Campinas, SP (Brazil)

    2012-07-01

    Full text: Xanthomonas citri is a phytopathogenic bacterium that infects citrus plants causing significant losses for the economy. In our group, we have focused on the identification and characterization of ABC transport proteins of this bacterium, in order to determinate their function for growth in vitro and in vivo, during infection. ABC transporters represent one of the largest families of proteins, which transport since small molecules as ions up to oligopeptides and sugars. In prokaryotic cells many works have reported the ABC transport function in pathogenesis, resistance, biofilm formation, infectivity and DNA repair, but until our knowledge, there is no data related to these transporters and X. citri. So, In order to determinate which transporters are expressed in X. citri, we started a proteomic analysis based on mono and bi-dimensional gels associated to mass spectrometry analyses. After growing X. citri and two different mutants deleted for ssuA and nitA genes in LB and minimum media, cellular extracts were obtained and used for preparation of mono and bi-dimensional gels. Seven bands covering the expected mass of ABC transporter components (20 kDa to 50 kDa) in SDS-PAGE were cut off the gel, treated with trypsin and submitted to the MS for protein identification. The results of 2D gels were good enough and will serve as a standard for development of similar experiments in large scale. (author)

  18. Pricing Volatility Referenced Assets

    Directory of Open Access Journals (Sweden)

    Alan De Genaro Dario

    2006-12-01

    Full Text Available Volatility swaps are contingent claims on future realized volatility. Variance swaps are similar instruments on future realized variance, the square of future realized volatility. Unlike a plain vanilla option, whose volatility exposure is contaminated by its asset price dependence, volatility and variance swaps provide a pure exposure to volatility alone. This article discusses the risk-neutral valuation of volatility and variance swaps based on the framework outlined in the Heston (1993 stochastic volatility model. Additionally, the Heston (1993 model is calibrated for foreign currency options traded at BMF and its parameters are used to price swaps on volatility and variance of the BRL / USD exchange rate.

  19. Mass transfer model of nanoparticle-facilitated contaminant transport in saturated porous media.

    Science.gov (United States)

    Johari, Wan Lutfi Wan; Diamessis, Peter J; Lion, Leonard W

    2010-02-01

    A one-dimensional model has been evaluated for transport of hydrophobic contaminants, such as polycyclic aromatic hydrocarbon (PAH) compounds, facilitated by synthetic amphiphilic polyurethane (APU) nanoparticles in porous media. APU particles synthesized from poly(ethylene glycol)-modified urethane acrylate (PMUA) precursor chains have been shown to enhance the desorption rate and mobility of phenanthrene (PHEN) in soil. A reversible process governed by attachment and detachment rates was considered to describe the PMUA binding in soil in addition to PMUA transport through advection and dispersion. Ultimately, an irreversible second-order PMUA attachment rate in which the fractional soil saturation capacity with PMUA was a rate control was found to be adequate to describe the retention of PMUA particles. A gamma-distributed site model (GS) was used to describe the spectrum of physical/chemical constraints for PHEN transfer from solid to aqueous phases. Instantaneous equilibrium was assumed for PMUA-PHEN interactions. The coupled model for PMUA and PHEN behavior successfully described the enhanced elution profile of PHEN by PMUA. Sensitivity analysis was performed to analyze the significance of model parameters on model predictions. The adjustable parameter alpha in the gamma-distribution shapes the contaminant desorption distribution profile as well as elution and breakthrough curves. Model simulations show the use of PMUA can be also expected to improve the release rate of PHEN in soils with higher organic carbon content. The percentage removal of PHEN mass over time is shown to be influenced by the concentration of PMUA added and this information can be used to optimize cost and time require to accomplish a desired remediation goal.

  20. Comparison of volatiles of cultured and wild sea bream (Sparus aurata) during storage in ice by dynamic headspace analysis/gas chromatography-mass spectrometry.

    Science.gov (United States)

    Alasalvar, Cesarettin; Taylor, K D Anthony; Shahidi, Fereidoon

    2005-04-06

    Cultured and wild sea bream were compared for differences in their volatile components over a 23 day storage period in ice. A total of 60 compounds in cultured and 78 compounds in wild sea bream were tentatively identified (in addition to this, there were 23 unknowns in cultured and 29 unknowns in wild sea bream volatiles). These included aldehydes, ketones, alcohols, aromatics, terpenes, furans, sulfur-containing compounds, an acid, and miscellaneous compounds. Although selection of best fish is a subjective matter, more aldehydes, ketones, aromatics, and terpenes were found in wild sea bream as compared to that of its cultured counterpart. Both sea bream samples exhibited complex volatile profiles over the entire storage period. The combination of several classes of volatile compounds, dependent upon their concentrations and odor thresholds, is responsible for the distinctive and unique flavor of fresh cultured and wild sea bream. Relative concentrations of several compounds (trimethylamine, piperidine, methanethiol, dimethyl disulfide, dimethyl trisulfide, 1-penten-3-ol, 3-methyl-1-butanol, and acetic acid) increased continually throughout the storage period, and these may have the potential to be used as indicators of sea bream quality.

  1. Constraining the volatile fraction of planets from transit observations

    CERN Document Server

    Alibert, Yann

    2016-01-01

    The determination of the abundance of volatiles in extrasolar planets is very important as it can provide constraints on transport in protoplanetary disks and on the formation location of planets. However, constraining the internal structure of low-mass planets from transit measurements is known to be a degenerate problem. Using planetary structure and evolution models, we show how observations of transiting planets can be used to constrain their internal composition, in particular the amount of volatiles in the planetary interior, and consequently the amount of gas (defined in this paper to be only H and He) that the planet harbors. We show for low-mass gas-poor planets that are located close to their central star that assuming evaporation has efficiently removed the entire gas envelope, it is possible to constrain the volatile fraction of close-in transiting planets. We illustrate this method on the example of 55 Cnc e and show that under the assumption of the absence of gas, the measured mass and radius im...

  2. System of extraction of volatiles from soil using microwave processes

    Science.gov (United States)

    Ethridge, Edwin C. (Inventor); Kaukler, William F. (Inventor)

    2013-01-01

    A device for the extraction and collection of volatiles from soil or planetary regolith. The device utilizes core drilled holes to gain access to underlying volatiles below the surface. Microwave energy beamed into the holes penetrates through the soil or regolith to heat it, and thereby produces vapor by sublimation. The device confines and transports volatiles to a cold trap for collection.

  3. Improved performance of porous bio-anodes in microbial electrolysis cells by enhancing mass and charge transport

    NARCIS (Netherlands)

    Sleutels, T.H.J.A.; Lodder, R.; Hamelers, H.V.M.; Buisman, C.J.N.

    2009-01-01

    To create an efficient MEC high current densities and high coulombic efficiencies are required. The aim of this study was to increase cur-rent densities and coulombic efficiencies by influencing mass and charge transport in porous electrodes by: (i) introduction of a forced flow through the anode to

  4. Analysis of Common Volatile Components in Different Batchs of Saffron by Gas Chromatography-Mass Spectrometry%藏红花挥发油共有组分的气相色谱-质谱分析

    Institute of Scientific and Technical Information of China (English)

    隋吴彬

    2011-01-01

    The volatile components in saffron were detected by gas chromatography-mass spectrometry to compare the volatile components and contents in different batches of saffron from the same origin. The relative contents of each component were determined by peak area normalization, and the volatile components variation of different batches of saffron was investigated. As a result, 42 components were identified and certain similarity has been found in different batches of saffron from the same origin.%本文采用气相色谱-质谱(GC-MS)法分析不同批次的藏红花挥发性成分,探讨同一产地不同批次藏红花挥发组分的成分与含量,并用峰面积归一化法确定各成分的相对含量,以其中的主要挥发组分作为考察指标,观察不同批次藏红花挥发组分的变化情况.初步鉴定出42种成分,且同一产地不同批次藏红花挥发性成分具有一定相似性.

  5. Can a reduction in mass transport occur at invariant segmental time?

    Science.gov (United States)

    Napolitano, Simone; Sferrazza, Michele

    2015-03-01

    The glassy dynamics of polymer melts adsorbed onto solid substrates shows a peculiar confinement effect: a severe reduction in mass transport occurs without a corresponding increase in segmental relaxation time. This phenomenon provides a ``negative violation'' of the Stokes-Einstein (SE) relation, not observed in bulk melts or confined water. Explaining those findings in analogy to the large drop of thermal expansion reported in polymers under 1D confinement, we considered the presence of an interfacial dead layer where tracer diffusivity assumes negligible values. To verify this hypothesis, we performed an extensive investigation of the diffusion of styrene oligomers, acting as tracers, into matrices of high molecular weight polystyrene, irreversibly adsorbed onto aluminum oxide. We demonstrate that the reduced interfacial diffusion is due to larger residence times of the tracers inside the dead layer, tDL. In particular, we show that tDL is directly proportional to the amount of irreversibly adsorbed monomers, a quantity limiting the available space for diffusion. We thus discuss of a dynamic dead layer evolving within the adsorbed layer, and of its role on the dynamics of glassy polymers under confinement and the ``negative violation'' the SE relation.

  6. Mass Transport in Surface Diffusion of van der Waals Bonded Systems: Boosted by Rotations?

    Science.gov (United States)

    Hedgeland, Holly; Sacchi, Marco; Singh, Pratap; McIntosh, Andrew J; Jardine, Andrew P; Alexandrowicz, Gil; Ward, David J; Jenkins, Stephen J; Allison, William; Ellis, John

    2016-12-01

    Mass transport at a surface is a key factor in heterogeneous catalysis. The rate is determined by excitation across a translational barrier and depends on the energy landscape and the coupling to the thermal bath of the surface. Here we use helium spin-echo spectroscopy to track the microscopic motion of benzene adsorbed on Cu(001) at low coverage (θ ∼ 0.07 ML). Specifically, our combined experimental and computational data determine both the absolute rate and mechanism of the molecular motion. The observed rate is significantly higher by a factor of 3.0 ± 0.1 than is possible in a conventional, point-particle model and can be understood only by including additional molecular (rotational) coordinates. We argue that the effect can be described as an entropic contribution that enhances the population of molecules in the transition state. The process is generally relevant to molecular systems and illustrates the importance of the pre-exponential factor alongside the activation barrier in studies of surface kinetics.

  7. Mass transport phenomena between bubbles and dissolved gases in liquids under reduced gravity conditions

    Science.gov (United States)

    Dewitt, Kenneth J.; Brockwell, Jonathan L.; Yung, Chain-Nan; Chai, An-Ti; Mcquillen, John B.; Sotos, Raymond G.; Neumann, Eric S.

    1988-01-01

    This paper will describe the experimental and analytical work that has been done to establish justification and feasibility for a Shuttle mid-deck experiment involving mass transfer between a gas bubble and a liquid. The experiment involves the observation and measurement of the dissolution of an isolated, immobile gas bubble of specified size and composition in a thermostatted solvent liquid of known concentration in the reduced gravity environment of earth orbit. Methods to generate and deploy the bubble have been successful both in normal gravity using mutually buoyant fluids and under reduced gravity conditions in the NASA Lear Jet. Initialization of the experiment with a bubble of a prescribed size and composition in a liquid of known concentration has been accomplished using the concept of unstable equilibrium. Subsequent bubble dissolution or growth is obtained by a step increase or decrease in the liquid pressure. A numerical model has been developed which simulates the bubble dynamics and can be used to determine molecular parameters by comparison with the experimental data. The primary objective of the experiment is the elimination of convective effects that occur in normal gravity. The results will yield information on transport under conditions of pure diffusion.

  8. Extracellular mass transport considerations for space flight research concerning suspended and adherent in vitro cell cultures

    Science.gov (United States)

    Klaus, David M.; Benoit, Michael R.; Nelson, Emily S.; Hammond, Timmothy G.

    2004-01-01

    Conducting biological research in space requires consideration be given to isolating appropriate control parameters. For in vitro cell cultures, numerous environmental factors can adversely affect data interpretation. A biological response attributed to microgravity can, in theory, be explicitly correlated to a specific lack of weight or gravity-driven motion occurring to, within or around a cell. Weight can be broken down to include the formation of hydrostatic gradients, structural load (stress) or physical deformation (strain). Gravitationally induced motion within or near individual cells in a fluid includes sedimentation (or buoyancy) of the cell and associated shear forces, displacement of cytoskeleton or organelles, and factors associated with intra- or extracellular mass transport. Finally, and of particular importance for cell culture experiments, the collective effects of gravity must be considered for the overall system consisting of the cells, their environment and the device in which they are contained. This does not, however, rule out other confounding variables such as launch acceleration, on orbit vibration, transient acceleration impulses or radiation, which can be isolated using onboard centrifuges or vibration isolation techniques. A framework is offered for characterizing specific cause-and-effect relationships for gravity-dependent responses as a function of the above parameters.

  9. Mass transport phenomena between bubbles and dissolved gases in liquids under reduced gravity conditions

    Science.gov (United States)

    Dewitt, Kenneth J.; Brockwell, Jonathan L.; Yung, Chain-Nan; Chai, An-Ti; Mcquillen, John B.; Sotos, Raymond G.; Neumann, Eric S.

    1988-01-01

    This paper will describe the experimental and analytical work that has been done to establish justification and feasibility for a Shuttle mid-deck experiment involving mass transfer between a gas bubble and a liquid. The experiment involves the observation and measurement of the dissolution of an isolated, immobile gas bubble of specified size and composition in a thermostatted solvent liquid of known concentration in the reduced gravity environment of earth orbit. Methods to generate and deploy the bubble have been successful both in normal gravity using mutually buoyant fluids and under reduced gravity conditions in the NASA Lear Jet. Initialization of the experiment with a bubble of a prescribed size and composition in a liquid of known concentration has been accomplished using the concept of unstable equilibrium. Subsequent bubble dissolution or growth is obtained by a step increase or decrease in the liquid pressure. A numerical model has been developed which simulates the bubble dynamics and can be used to determine molecular parameters by comparison with the experimental data. The primary objective of the experiment is the elimination of convective effects that occur in normal gravity. The results will yield information on transport under conditions of pure diffusion.

  10. Mass-conserving tracer transport modelling on a reduced latitude-longitude grid with NIES-TM

    Directory of Open Access Journals (Sweden)

    D. Belikov

    2011-03-01

    Full Text Available The need to perform long-term simulations with reasonable accuracy has led to the development of mass-conservative and efficient numerical methods for solving the transport equation in forward and inverse models. We designed and implemented a flux-form (Eulerian tracer transport algorithm in the National Institute for Environmental Studies Transport Model (NIES TM, which is used for simulating diurnal and synoptic-scale variations of tropospheric long-lived constituents, as well as their seasonal and inter-annual variability. Implementation of the flux-form method requires the mass conservative wind fields. However, the model is off-line and is driven by datasets from a global atmospheric model or data assimilation system, in which vertically integrated mass changes are not in balance with the surface pressure tendency and mass conservation is not achieved. To rectify the mass-imbalance, a flux-correction method is employed. To avoid a singularity near the poles, caused by the small grid size arising from the meridional convergence problem, the proposed model uses a reduced latitude–longitude grid scheme, in which the grid size is doubled several times approaching the poles. This approach overcomes the Courant condition in the Polar Regions, maintains a reasonably high integration time-step, and ensures adequate model performance during simulations. To assess the model performance, we performed global transport simulations for SF6, 222Rn, and CO2. The results were compared with observations available from the World Data Centre for Greenhouse Gases, GLOBALVIEW, and the Hateruma monitoring station, Japan. Overall, the results show that the proposed flux-form version of NIES TM can produce tropospheric tracer transport more realistically than previously possible. The reasons for this improvement are discussed.

  11. Quantifying the volatility of organic aerosol in the southeastern US

    Science.gov (United States)

    Saha, Provat K.; Khlystov, Andrey; Yahya, Khairunnisa; Zhang, Yang; Xu, Lu; Ng, Nga L.; Grieshop, Andrew P.

    2017-01-01

    The volatility of organic aerosols (OA) has emerged as a property of primary importance in understanding their atmospheric life cycle, and thus abundance and transport. However, quantitative estimates of the thermodynamic (volatility, water solubility) and kinetic parameters dictating ambient-OA gas-particle partitioning, such as saturation concentrations (C∗), enthalpy of evaporation (ΔHvap), and evaporation coefficient (γe), are highly uncertain. Here, we present measurements of ambient-OA volatility at two sites in the southeastern US, one at a rural setting in Alabama dominated by biogenic volatile organic compounds (BVOCs) as part of the Southern Oxidant and Aerosol Study (SOAS) in June-July 2013, and another at a more anthropogenically influenced urban location in North Carolina during October-November 2013. These measurements applied a dual-thermodenuder (TD) system, in which temperature and residence times are varied in parallel to constrain equilibrium and kinetic aerosol volatility properties. Gas-particle partitioning parameters were determined via evaporation kinetic model fits to the dual-TD observations. OA volatility parameter values derived from both datasets were similar despite the fact that measurements were collected in distinct settings and seasons. The OA volatility distributions also did not vary dramatically over the campaign period or strongly correlate with OA components identified via positive matrix factorization of aerosol mass spectrometer data. A large portion (40-70 %) of measured ambient OA at both sites was composed of very-low-volatility organics (C∗ ≤ 0.1 µg m-3). An effective ΔHvap of bulk OA of ˜ 80-100 kJ mol-1 and a γe value of ˜ 0.5 best describe the evaporation observed in the TDs. This range of ΔHvap values is substantially higher than that typically assumed for simulating OA in atmospheric models (30-40 kJ mol-1). TD data indicate that γe is on the order of 0.1 to 0.5, indicating that repartitioning

  12. An Effective Method to Detect Volatile Intermediates Generated in the Bioconversion of Coal to Methane by Gas Chromatography-Mass Spectrometry after In-Situ Extraction Using Headspace Solid-Phase Micro-Extraction under Strict Anaerobic Conditions.

    Science.gov (United States)

    Liu, Jianmin; Wang, Baoyu; Tai, Chao; Wu, Li; Zhao, Han; Guan, Jiadong; Chen, Linyong

    2016-01-01

    Bioconversion of coal to methane has gained increased attention in recent decades because of its economic and environmental advantages. However, the mechanism of this process is difficult to study in depth, partly because of difficulties associated with the analysis of intermediates generated in coal bioconversion. In this investigation, we report on an effective method to analyze volatile intermediates generated in the bioconversion of coal under strict anaerobic conditions. We conduct in-situ extraction of intermediates using headspace solid-phase micro-extraction followed by detection by gas chromatography-mass spectrometry. Bioconversion simulation equipment was modified and combined with a solid-phase micro-extraction device. In-situ extraction could be achieved by using the combined units, to avoid a breakdown in anaerobic conditions and to maintain the experiment continuity. More than 30 intermediates were identified qualitatively in the conversion process, and the variation in trends of some typical intermediates has been discussed. Volatile organic acids (C2-C7) were chosen for a quantitative study of the intermediates because of their importance during coal bioconversion to methane. Fiber coating, extraction time, and solution acidity were optimized in the solid-phase micro-extraction procedure. The pressure was enhanced during the bioconversion process to investigate the influence of headspace pressure on analyte extraction. The detection limits of the method ranged from 0.0006 to 0.02 mmol/L for the volatile organic acids and the relative standard deviations were between 4.6% and 11.5%. The volatile organic acids (C2-C7) generated in the bioconversion process were 0.01-1.15 mmol/L with a recovery range from 80% to 105%. The developed method is useful for further in-depth research on the bioconversion of coal to methane.

  13. Development of a multi-species mass transport model for concrete with account to thermodynamic phase equilibriums

    DEFF Research Database (Denmark)

    Hosokawa, Yoshifumi; Yamada, Kazuo; Johannesson, Björn

    2011-01-01

    In this study, a coupled multi-species transport and chemical equilibrium model has been established. The model is capable of predicting time dependent variation of pore solution and solid-phase composition in concrete. Multi-species transport approaches, based on the Poisson–Nernst–Planck (PNP......) theory alone, not involving chemical processes, have no real practical interest since the chemical action is very dominant for cement based materials. Coupled mass transport and chemical equilibrium models can be used to calculate the variation in pore solution and solid-phase composition when using...... by using the PHREEQC program. The coupling between the transport part and chemical part of the problem is tackled by using a sequential operator splitting technique and the calculation results are verified by comparing the elemental spacial distribution in concrete measured by the electron probe...

  14. A quantitative structure- property relationship of gas chromatographic/mass spectrometric retention data of 85 volatile organic compounds as air pollutant materials by multivariate methods

    Directory of Open Access Journals (Sweden)

    Sarkhosh Maryam

    2012-05-01

    Full Text Available Abstract A quantitative structure-property relationship (QSPR study is suggested for the prediction of retention times of volatile organic compounds. Various kinds of molecular descriptors were calculated to represent the molecular structure of compounds. Modeling of retention times of these compounds as a function of the theoretically derived descriptors was established by multiple linear regression (MLR and artificial neural network (ANN. The stepwise regression was used for the selection of the variables which gives the best-fitted models. After variable selection ANN, MLR methods were used with leave-one-out cross validation for building the regression models. The prediction results are in very good agreement with the experimental values. MLR as the linear regression method shows good ability in the prediction of the retention times of the prediction set. This provided a new and effective method for predicting the chromatography retention index for the volatile organic compounds.

  15. Characterization of the volatile fraction emitted by phloems of four pinus species by solid-phase microextraction and gas chromatography–mass spectrometry

    OpenAIRE

    A.M. Santos; Vasconcelos, T.; Mateus, E.; Farrall, M. H.; Silva, M. D. R. Gomes da; Paiva, Maria Rosa; Branco, M.

    2006-01-01

    Pine forests constitute some of the most important renewable resources supplying timber, paper and chemical industries, among other functions. Characterization of the volatiles emitted by different Pinus species has proven to be an important tool to decode the process of host tree selection by herbivore insects, some of which cause serious economic damage to pines. Variations in the relative composition of the bouquet of semiochemicals are responsible for the outcome of different biological p...

  16. Identification and Quantitation of Volatile Organic Compounds in Poly(methyl methacrylate) Kitchen Utensils by Headspace Gas Chromatography/Mass Spectrometry.

    Science.gov (United States)

    Ohno, Hiroyuki; Mutsuga, Motoh; Kawamura, Yoko

    2014-01-01

    A headspace GC/MS method was developed for identification and quantitation of residual volatile organic compounds in poly(methyl methacrylate) (PMMA) kitchen utensils. A sample was cut into small pieces, then N,N-dimethylacetamide was added in a headspace vial and sealed. After storing for more than 1 day at room temperature, the vial was incubated for 1 h at 90°C, and the headspace gas was analyzed by GC/MS. In 24 PMMA kitchen utensils, 16 volatile organic compounds including methyl methacrylate, methyl acrylate, toluene, 2-methyl-1-butene, 2-methyl-2-butene, 2-methylpropanal, methyl propionate, methyl isobutyrate, trans-3-heptene, heptane, cis-3-heptene, trans-2-heptene, cis-2-heptene, 2,4,4-trimethyl-1-pentene, 2,4,4-trimethyl-2-pentene, and 1-octene were identified and quantitated. These 15 volatile compounds except methyl methacrylate were found for the first time in PMMA kitchen utensils. Recovery rates from spiked samples were 97.4-104.0% with CV values of 2.8-9.6%. Samples contained 190-7900 μg/g of methyl methacrylate, 26-810 μg/g of methyl acrylate, and 2-1300 μg/g of toluene; other compounds were at levels less than 100 μg/g. Methyl methacrylate was the main monomer of PMMA and methyl acrylate was a comonomer; toluene should be used as a solvent.

  17. Internal deformation and kinematic indicators within a tripartite mass transport deposit, NW Argentina

    Science.gov (United States)

    Sobiesiak, Matheus S.; Kneller, Ben; Alsop, G. Ian; Milana, Juan Pablo

    2016-10-01

    The role of mass transport deposits (MTDs) in redistributing sediment from the shelf-break to deep water is becoming increasingly apparent and important in the study of basins. While seismic analysis may reveal the general morphology of such deposits, it is unable to provide information on the detailed geometry and kinematics of gravity-driven transport owing to the limits of seismic resolution. Outcrop analysis of ancient MTDs may therefore provide critical observations and data regarding the internal deformation and behavior during slope failure. One such field area where geometry and kinematics are clearly exposed is Cerro Bola in the Paganzo Basin of northwestern Argentina. This 8 km strike section exposes a mid to late Carboniferous succession, comprising fluvio-deltaic sediments, turbidites and MTDs. Our work focuses on the main MTD that is up to 180 m thick and is characterized by a silty matrix, containing sandstone blocks and siltstone rafts. Although we consider a single slope failure as the most likely scenario, a possible double failure might also explain the occurrence of a folded turbidite marker in the upper zone of the MTD. The MTD is host to a variety of deformational features such as folding, boudinage, shear zones, allochthonous strata, and secondary fabrics among others. These deformational features vary in intensity, scale and style, both vertically and laterally across the deposit. The vertical variation is the most notable, and the entire deposit can be subdivided into lower, middle and upper zones according to variations in texture and structures, including sandstone blocks, sand streaks and blebs in the matrix, folding on a variety of scales, and shear zones. The middle part of the MTD is characterized by the abundance of siltstone rafts. Various models are proposed for the origin of blocks and rafts within the MTD: erosion of underlying strata; fragmentation of the original protolith; or a mixture of both. Significantly, specific strain

  18. Rating mass concentration of airborne dust in the road transport depending on the type of pollution transport routes.

    OpenAIRE

    PÁVEK, Miroslav

    2014-01-01

    In the thesis the values of air pollution re-suspended solid pollutants on the diameter of 10 micrometres (PM10) during the movement of vehicles of different categories of polluted roads routes. Measurements were carried out on three lines of transport operation of various vehicle categories as diverse weight and the type of pollution road. Measured values and analysis results show that the resulting air pollution in the vicinity of the road affects several factors. The main factors include t...

  19. Volatile accretion history of the Earth.

    Science.gov (United States)

    Wood, B J; Halliday, A N; Rehkämper, M

    2010-10-28

    It has long been thought that the Earth had a protracted and complex history of volatile accretion and loss. Albarède paints a different picture, proposing that the Earth first formed as a dry planet which, like the Moon, was devoid of volatile constituents. He suggests that the Earth's complement of volatile elements was only established later, by the addition of a small veneer of volatile-rich material at ∼100 Myr (here and elsewhere, ages are relative to the origin of the Solar System). Here we argue that the Earth's mass balance of moderately volatile elements is inconsistent with Albarède's hypothesis but is well explained by the standard model of accretion from partially volatile-depleted material, accompanied by core formation.

  20. Lunar In-Situ Volatile Extraction Project

    Data.gov (United States)

    National Aeronautics and Space Administration — A method of extracting volatile resources from the Lunar regolith is proposed to reduce the launch mass and cost of bringing such resources from the Earth to enable...

  1. The fabric of Mass Transport Deposits in the Ursa Basin, Gulf of Mexico

    Science.gov (United States)

    Day-Stirrat, R. J.; Flemings, P. B.; Strong, H. E.; Schneider, J.; Sawyer, D. E.; Schleicher, A. M.; Germaine, J. T.

    2009-12-01

    Mass Transport Deposits (MTDs) in the Ursa Basin, Gulf of Mexico, are densified relative to surrounding, undeformed, sediments. MTDs form a large fraction of the stratigraphic record. Their properties control basin fluid flow, impact seismic imaging, and are important for the development of subsea infrastructure. MTD-2 is one outstanding ~50m thick example where at a depth of 104.5mbsf, the porosity is 35%, while the immediate undeformed sediment below has a porosity of 47%. We analyzed the fabric of sediment within and outside, both above and below, of the MTD’s at Ursa. High-resolution x-ray texture goniometry (HRXTG) quantifies the alignment of clay minerals and shows greater basal plane alignment of smectite and illite within the MTDs relative to sediment outside the MTDs. A non-MTD sample immediately below MTD-2 has a weak fabric (m.r.d. = 2.5) whereas samples within the MTD have moderate fabrics (m.r.d. = 3-3.5). Pore throat analysis illustrates that the increase in alignment and the decrease in porosity is associated with a shift in mode pore throat size from 121 to 52 nanometers in the MTD vs. outside of the MTD. SEM images on ion-milled surfaces confirm that large pore throats are lost within the MTD. We interpret that the densification within MTDs is due to sediment remolding during debris flow. Remolding reorients the original clay mineral fabric, resulting in grains that have closer packing, lower porosity, and greater alignment than non-remolded sediments at the same effective stress.

  2. Mass transport of direct methanol fuel cell species in sulfonated poly(ether ether ketone) membranes

    Energy Technology Data Exchange (ETDEWEB)

    Silva, V.S.; Boaventura, M.; Mendes, A.M.; Madeira, L.M. [LEPAE, Chemical Engineering Department, Faculty of Engineering, University of Porto, Rua Dr. Roberto Frias, 4200-465 Porto (Portugal); Ruffmann, B.; Vetter, S.; Nunes, S.P. [GKSS Research Centre, Max-Planck Str., 21502 Geesthacht (Germany)

    2006-05-05

    Homogeneous membranes based on sulfonated poly(ether ether ketone) (sPEEK) with different sulfonation degrees (SD) were prepared and characterized. In order to perform a critical analysis of the SD effect on the polymer barrier and mass transport properties towards direct methanol fuel cell species, proton conductivity, water/methanol pervaporation and nitrogen/oxygen/carbon dioxide pressure rise method experiments are proposed. This procedure allows the evaluation of the individual permeability coefficients in hydrated sPEEK membranes with different sulfonation degrees. Nafion{sup (R)} 112 was used as reference material. DMFC tests were also performed at 50{sup o}C. It was observed that the proton conductivity and the permeability towards water, methanol, oxygen and carbon dioxide increase with the sPEEK sulfonation degree. In contrast, the SD seems to not affect the nitrogen permeability coefficient. In terms of selectivity, it was observed that the carbon dioxide/oxygen selectivity increases with the sPEEK SD. In contrast, the nitrogen/oxygen selectivity decreases. In terms of barrier properties for preventing the DMFC reactants loss, the polymer electrolyte membrane based on the sulfonated poly(ether ether ketone) with SD lower or equal to 71%, although having slightly lower proton conductivity, presented much better characteristics for fuel cell applications compared with the well known Nafion{sup (R)} 112. In terms of the DMFC tests of the studied membranes at low temperature, the sPEEK membrane with SD=71% showed to have similar performance, or even better, as that of Nafion{sup (R)} 112. However, the highest DMFC overall efficiency was achieved using sPEEK membrane with SD=52%. (author)

  3. Flow field design and optimization based on the mass transport polarization regulation in a flow-through type vanadium flow battery

    Science.gov (United States)

    Zheng, Qiong; Xing, Feng; Li, Xianfeng; Ning, Guiling; Zhang, Huamin

    2016-08-01

    Vanadium flow battery holds great promise for use in large scale energy storage applications. However, the power density is relatively low, leading to significant increase in the system cost. Apart from the kinetic and electronic conductivity improvement, the mass transport enhancement is also necessary to further increase the power density and reduce the system cost. To better understand the mass transport limitations, in the research, the space-varying and time-varying characteristic of the mass transport polarization is investigated based on the analysis of the flow velocity and reactant concentration in the bulk electrolyte by modeling. The result demonstrates that the varying characteristic of mass transport polarization is more obvious at high SoC or high current densities. To soften the adverse impact of the mass transport polarization, a new rectangular plug flow battery with a plug flow and short flow path is designed and optimized based on the mass transport polarization regulation (reducing the mass transport polarization and improving its uniformity of distribution). The regulation strategy of mass transport polarization is practical for the performance improvement in VFBs, especially for high power density VFBs. The findings in the research are also applicable for other flow batteries and instructive for practical use.

  4. Speciation of Volatile Selenium Species in Plants Using Gas Chromatography/Inductively Coupled Plasma Mass Spectrometry%气相色谱/电感耦合等离子体质谱测定植物中挥发性硒化合物

    Institute of Scientific and Technical Information of China (English)

    Juris MEIJA; Maria MONTES-BAY(O)N; Joseph A CARUSO; Danika L LEDUC; Norman TERRY

    2004-01-01

    Gas chromatography/inductively coupled plasma mass spectrometry (GC/ICP-MS) coupled with solid phase micro-extraction can provide a simple, extremely selective and sensitive technique for the analysis of volatile sulfur and selenium compounds in the headspace of growing plants. In this work, the technique was used to evaluate the volatilization of selenium in wild-type and genetically-modified Brassica juncea seedlings. By converting toxic inorganic selenium in the soil to less toxic, volatile organic selenium, B. juncea might be useful in bioremediation of selenium contaminated soil.

  5. Factors affecting the volatilization of volatile organic compounds from wastewater

    Directory of Open Access Journals (Sweden)

    Junya Intamanee

    2006-09-01

    Full Text Available This study aimed to understand the influence of the wind speed (U10cm, water depth (h and suspended solids (SS on mass transfer coefficient (KOLa of volatile organic compounds (VOCs volatilized from wastewater. The novelty of this work is not the method used to determine KOLa but rather the use of actual wastewater instead of pure water as previously reported. The influence of U10cm, h, and SS on KOLa was performed using a volatilization tank with the volume of 100-350 L. Methyl Ethyl Ketone (MEK was selected as a representative of VOCs investigated here in. The results revealed that the relationship between KOLa and the wind speeds falls into two regimes with a break at the wind speed of 2.4 m/s. At U10cm 2.4 m/s, KOLa increased more rapidly. The relationship between KOLa and U10cm was also linear but has a distinctly higher slope. For the KOLa dependency on water depth, the KOLa decreased significantly with increasing water depth up to a certain water depth after that the increase in water depth had small effect on KOLa. The suspended solids in wastewater also played an important role on KOLa. Increased SS resulted in a significant reduction of KOLa over the investigated range of SS. Finally, the comparison between KOLa obtained from wastewater and that of pure water revealed that KOLa from wastewater were much lower than that of pure water which was pronounced at high wind speed and at small water depth. This was due the presence of organic mass in wastewater which provided a barrier to mass transfer and reduced the degree of turbulence in the water body resulting in low volatilization rate and thus KOLa. From these results, the mass transfer model for predicting VOCs emission from wastewater should be developed based on the volatilization of VOCs from wastewater rather than that from pure water.

  6. Chemical mass transport between fluid fine tailings and the overlying water cover of an oil sands end pit lake

    Science.gov (United States)

    Dompierre, Kathryn A.; Barbour, S. Lee; North, Rebecca L.; Carey, Sean K.; Lindsay, Matthew B. J.

    2017-06-01

    Fluid fine tailings (FFT) are a principal by-product of the bitumen extraction process at oil sands mines. Base Mine Lake (BML)—the first full-scale demonstration oil sands end pit lake (EPL)—contains approximately 1.9 × 108 m3 of FFT stored under a water cover within a decommissioned mine pit. Chemical mass transfer from the FFT to the water cover can occur via two key processes: (1) advection-dispersion driven by tailings settlement; and (2) FFT disturbance due to fluid movement in the water cover. Dissolved chloride (Cl) was used to evaluate the water cover mass balance and to track mass transport within the underlying FFT based on field sampling and numerical modeling. Results indicated that FFT was the dominant Cl source to the water cover and that the FFT is exhibiting a transient advection-dispersion mass transport regime with intermittent disturbance near the FFT-water interface. The advective pore water flux was estimated by the mass balance to be 0.002 m3 m-2 d-1, which represents 0.73 m of FFT settlement per year. However, the FFT pore water Cl concentrations and corresponding mass transport simulations indicated that advection rates and disturbance depths vary between sample locations. The disturbance depth was estimated to vary with location between 0.75 and 0.95 m. This investigation provides valuable insight for assessing the geochemical evolution of the water cover and performance of EPLs as an oil sands reclamation strategy.

  7. An inexact Newton method for fully-coupled solution of the Navier-Stokes equations with heat and mass transport

    Energy Technology Data Exchange (ETDEWEB)

    Shadid, J.N.; Tuminaro, R.S. [Sandia National Labs., Albuquerque, NM (United States); Walker, H.F. [Utah State Univ., Logan, UT (United States). Dept. of Mathematics and Statistics

    1997-02-01

    The solution of the governing steady transport equations for momentum, heat and mass transfer in flowing fluids can be very difficult. These difficulties arise from the nonlinear, coupled, nonsymmetric nature of the system of algebraic equations that results from spatial discretization of the PDEs. In this manuscript the authors focus on evaluating a proposed nonlinear solution method based on an inexact Newton method with backtracking. In this context they use a particular spatial discretization based on a pressure stabilized Petrov-Galerkin finite element formulation of the low Mach number Navier-Stokes equations with heat and mass transport. The discussion considers computational efficiency, robustness and some implementation issues related to the proposed nonlinear solution scheme. Computational results are presented for several challenging CFD benchmark problems as well as two large scale 3D flow simulations.

  8. An inexact Newton method for fully-coupled solution of the Navier-Stokes equations with heat and mass transport

    Energy Technology Data Exchange (ETDEWEB)

    Shadid, J.N.; Tuminaro, R.S. [Sandia National Labs., Albuquerque, NM (United States); Walker, H.F. [Utah State Univ., Logan, UT (United States). Dept. of Mathematics and Statistics

    1997-02-01

    The solution of the governing steady transport equations for momentum, heat and mass transfer in flowing fluids can be very difficult. These difficulties arise from the nonlinear, coupled, nonsymmetric nature of the system of algebraic equations that results from spatial discretization of the PDEs. In this manuscript the authors focus on evaluating a proposed nonlinear solution method based on an inexact Newton method with backtracking. In this context they use a particular spatial discretization based on a pressure stabilized Petrov-Galerkin finite element formulation of the low Mach number Navier-Stokes equations with heat and mass transport. The discussion considers computational efficiency, robustness and some implementation issues related to the proposed nonlinear solution scheme. Computational results are presented for several challenging CFD benchmark problems as well as two large scale 3D flow simulations.

  9. Residual Stress Relaxation Induced by Mass Transport Through Interface of the Pd/SrTiO3

    Directory of Open Access Journals (Sweden)

    Nazarpour S

    2010-01-01

    Full Text Available Abstract Metal interconnections having a small cross-section and short length can be subjected to very large mass transport due to the passing of high current densities. As a result, nonlinear diffusion and electromigration effects which may result in device failure and electrical instabilities may be manifested. Various thicknesses of Pd were deposited over SrTiO3 substrate. Residual stress of the deposited film was evaluated by measuring the variation of d-spacing versus sin2ψ through conventional X-ray diffraction method. It has been found that the lattice misfit within film and substrate might be relaxed because of mass transport. Besides, the relation between residual intrinsic stress and oxygen diffusion through deposited film has been expressed. Consequently, appearance of oxide intermediate layer may adjust interfacial characteristics and suppress electrical conductivity by increasing electron scattering through metallic films.

  10. Optical conductivity and optical effective mass in a high-mobility organic semiconductor: Implications for the nature of charge transport

    KAUST Repository

    Li, Yuan

    2014-12-03

    We present a multiscale modeling of the infrared optical properties of the rubrene crystal. The results are in very good agreement with the experimental data that point to nonmonotonic features in the optical conductivity spectrum and small optical effective masses. We find that, in the static-disorder approximation, the nonlocal electron-phonon interactions stemming from low-frequency lattice vibrations can decrease the optical effective masses and lead to lighter quasiparticles. On the other hand, the charge-transport and infrared optical properties of the rubrene crystal at room temperature are demonstrated to be governed by localized carriers driven by inherent thermal disorders. Our findings underline that the presence of apparently light carriers in high-mobility organic semiconductors does not necessarily imply bandlike transport.

  11. Mass Transport Complexes in bacini confinati a controllo strutturale: l'Unità Epiligure di Specchio (Appennino Settentrionale)

    OpenAIRE

    Ogata, Kei

    2010-01-01

    Il recente incremento dell’esplorazione geofisica dei margini continentali e il concomitante sviluppo di tecnologie d’indagine, sismiche ed acustiche, sempre più accurate, hanno rivelato la comune presenza di vasti accumuli di sedimenti rimobilizzati a causa di franamenti sottomarini, e comunemente identificati con il termine di Mass Transport Deposit o Complex (MTD e MTC, rispettivamente). Attualmente, queste unità sono intensamente studiate non solo per ragioni strettamente scientifiche,...

  12. Predictive data-derived Bayesian statistic-transport model and simulator of sunken oil mass

    Science.gov (United States)

    Echavarria Gregory, Maria Angelica

    -processing tasks proper of a basic GIS-like software. The result is a predictive Bayesian multi-modal Gaussian model, SOSim (Sunken Oil Simulator) Version 1.0rcl, operational for use with limited, randomly-sampled, available subjective and numeric data on sunken oil concentrations and locations in relatively flat-bottomed bays. The SOSim model represents a new approach, coupling a Lagrangian modeling technique with predictive Bayesian capability for computing unconditional probabilities of mass as a function of space and time. The approach addresses the current need to rapidly deploy modeling capability without readily accessible information on ocean bottom currents. Contributions include (1) the development of the apparently first pollutant transport model for computing unconditional relative probabilities of pollutant location as a function of time based on limited available field data alone; (2) development of a numerical method of computing concentration profiles subject to curved, continuous or discontinuous boundary conditions; (3) development combinatorial algorithms to compute unconditional multimodal Gaussian probabilities not amenable to analytical or Markov-Chain Monte Carlo integration due to high dimensionality; and (4) the development of software modules, including a core module containing the developed Bayesian functions, a wrapping graphical user interface, a processing and operating interface, and the necessary programming components that lead to an open-source, stand-alone, executable computer application (SOSim -- Sunken Oil Simulator). Extensions and refinements are recommended, including the addition of capability for accepting available information on bathymetry and maybe bottom currents as Bayesian prior information, the creation of capability of modeling continuous oil releases, and the extension to tracking of suspended oil (3-D). Keywords: sunken oil, Bayesian, Gaussian, model, stochastic, emergency response, recovery, statistical model, multimodal.

  13. In-situ TEM-investigations of mass transport in ``near-bamboo'' Al-interconnects due to electromigration

    Science.gov (United States)

    Heinen, Dirk; Schroeder, Herbert; Schilling, Werner

    1998-01-01

    Electromigration (EM)-driven mass transport in "near-bamboo" Al-lines, which consist mostly of "blocking grains," is an important topic of research on ULSI-metallizations. Because the most easy diffusion path, i.e. grain boundaries parallel to the line, is suppressed in bamboo-like Al-lines other paths have to be considered. In this work two other possible paths of diffusion were examined by in-situ observations in a transmission electron microscope (TEM). For these experiments a special sample holder had to be constructed. One path is EM-driven intragranular diffusion in Al-lines. In this experiment, inert gas-filled voids with a mean diameter of about 10 nm, so-called bubbles, which were created after gas implantation and annealing of the Al-lines, serve as indicators of mass (or vacancy) transport. The in-situ EM-tests reveal no intragranular void motion over a period of more than 100 h at current densities of 1-1.75 MA/cm2 and temperatures of 150-225 °C. This leads to an estimation of the maximum void diffusion velocity which was compared with calculated values of surface and volume diffusion controlled void motion, respectively. The second point of interest was the behavior of dislocations in Al-lines under an applied EM-force. The importance of their observed motion for intragranular mass transport will be discussed.

  14. Sedimentary and structural controls on seismogenic slumping within mass transport deposits from the Dead Sea Basin

    Science.gov (United States)

    Alsop, G. I.; Marco, S.; Weinberger, R.; Levi, T.

    2016-10-01

    Comparatively little work has been undertaken on how sedimentary environments and facies changes can influence detailed structural development in slump sheets associated with mass transport deposits (MTDs). The nature of downslope deformation at the leading edge of MTDs is currently debated in terms of frontally emergent, frontally confined and open-toed models. An opportunity to study and address these issues occurs within the Dead Sea Basin, where six individual slump sheets (S1-S6) form MTDs in the Late Pleistocene Lisan Formation. All six slumps, which are separated from one another by undeformed beds, are traced towards the NE for up to 1 km, and each shows a change in sedimentary facies from detrital-rich in the SW, to more aragonite-rich in the NE. The detrital-rich facies is sourced predominantly from the rift margin 1.5 km further SW, while the aragonite-rich facies represents evaporitic precipitation in the hyper saline Lake Lisan. The stacked system of MTDs translates downslope towards the NE and follows a pre-determined sequence controlled by the sedimentary facies. Each individual slump roots downwards into underlying detrital-rich layers and displays a greater detrital content towards the SW, which is marked by increasing folding, while increasing aragonite content towards the NE is associated with more discrete thrusts. The MTDs thin downslope towards the NE, until they pass laterally into undeformed beds at the toe. The amount of contraction also reduces downslope from a maximum of 50% to < 10% at the toe, where upright folds form diffuse 'open-toed' systems. We suggest that MTDs are triggered by seismic events, facilitated by detrital-rich horizons, and controlled by palaeoslope orientation. The frequency of individual failures is partially controlled by local environmental influences linked to detrital input and should therefore be used with some caution in more general palaeoseismic studies. We demonstrate that MTDs display 'open toes' where

  15. Experimental and theoretical aspects of studying themodynamics and mass transport in polymer-solvent systems

    Science.gov (United States)

    Davis, Peter Kennedy

    Mass transport and thermodynamics in polymer-solvent systems are two key areas of importance to the polymer industry. Numerous processes including polymerization reactors, membrane separations, foam production, devolatilization processes, film and coating drying, supercritical extractions, drug delivery, and even nano-technology require fundamental phase equilibria and diffusion information. Although such information is vital in equipment design and optimization, acquisition and modeling of these data are still in the research and development stages. This thesis is rather diverse as it addresses many realms of this broad research area. From high pressure to low pressure, experimental to theoretical, and infinite dilution to finite concentration, the thesis covers a wide range of topics that are of current importance to the industrial and academic polymer community. Chapter 1 discusses advances in the development of a new volumetric sorption pressure decay technique to make phase equilibrium and diffusion measurements in severe temperature-pressure environments. Chapter 2 provides the derivations and results of a new completely predictive Group Contribution Lattice Fluid Equation of State for multi-component polymer-solvent systems. The remaining four chapters demonstrate advances in the modeling of inverse gas chromatography (IGC) experiments. IGC has been used extensively of the last 50 years to make low pressure sorption and diffusion measurements at infinitely dilute and finite solvent concentrations. Chapter 3 proposes a new IGC experiment capable of obtaining ternary vapor-liquid equilibria in polymer-solvent-solvent systems. Also in that chapter, an extensive derivation is provided for a continuum model capable of describing the results of such an experiment. Chapter 4 presents new data collected on a packed column IGC experiment and a new model that can be used with those experimental data to obtain diffusion and partition coefficients. Chapter 5 addresses a

  16. Black tea volatiles fingerprinting by comprehensive two-dimensional gas chromatography - Mass spectrometry combined with high concentration capacity sample preparation techniques: Toward a fully automated sensomic assessment.

    Science.gov (United States)

    Magagna, Federico; Cordero, Chiara; Cagliero, Cecilia; Liberto, Erica; Rubiolo, Patrizia; Sgorbini, Barbara; Bicchi, Carlo

    2017-06-15

    Tea prepared by infusion of dried leaves of Camellia sinensis (L.) Kuntze, is the second world's most popular beverage, after water. Its consumption is associated with its chemical composition: it influences its sensory and nutritional quality addressing consumer preferences, and potential health benefits. This study aims to obtain an informative chemical signature of the volatile fraction of black tea samples from Ceylon by applying the principles of sensomics. In particular, several high concentration capacity (HCC) sample preparation techniques were tested in combination with GC×GC-MS to investigate chemical signatures of black tea volatiles. This platform, using headspace solid phase microextraction (HS-SPME) with multicomponent fiber as sampling technique, recovers 95% of the key-odorants in a fully automated work-flow. A group 123 components, including key-odorants, technological and botanical tracers, were mapped. The resulting 2D fingerprints were interpreted by pattern recognition tools (i.e. template matching fingerprinting and scripting) providing highly informative chemical signatures for quality assessment. Copyright © 2017 Elsevier Ltd. All rights reserved.

  17. Mass spectrometry hyphenated techniques for the analysis of volatiles and peptides in soft cheese: Useful tools for the shelf life optimization.

    Science.gov (United States)

    Mentana, Annalisa; Natale, Anna; Palermo, Carmen; Nardiello, Donatella; Conte, Amalia; Del Nobile, Matteo Alessandro; Quinto, Maurizio; Centonze, Diego

    2016-07-01

    In order to assess the product quality and shelf life of an Italian soft cream cheese under different storage conditions, the volatile and peptide profiles evolution were tested. Volatiles were sampled directly from the head space of cheese packaging by solid-phase microextraction and analyzed by GC-MS. Peptide profiles were obtained by nanoLC-MS/MS, following a novel bioinformatics approach based on scoring distribution associated to the protein hits originating from the database search. In particular, a refined identification by focusing on selected time segments corresponding to the most intense peaks was carried out. A total of 40 compounds including acids, aldehydes, ketones, lactones, alcohols, esters, hydrocarbons, terpene, sulfur, and aromatic compounds were detected. Significant differences in their abundance during the storage in different packagings were observed, as well as an evolution of peptides mainly belonging to αS1-casein. The results demonstrated the usefulness of the above-mentioned hyphenated techniques for the determination of the soft cheese shelf life under different storage conditions.

  18. Critical role of a pre-purge setup in the thermal desorption analysis of volatile organic compounds by gas chromatography with mass spectrometry.

    Science.gov (United States)

    Kim, Yong-Hyun; Kim, Ki-Hyun

    2015-07-01

    In general, volatile organic compounds in ambient air are quantified by following a well-defined standard calibration procedure using a gas-/liquid-phase standard. If the liquid standard is analyzed by a thermal desorption, the solvent effect is unavoidable through the alteration of breakthrough properties or retention times. To learn more about the variables of the thermal desorption-based analysis, the effect of pre-purge conditions was evaluated for 18 volatile organic compounds with different types of sorbent tube materials by fixing standard volume (1 μL) and flow rate (100 mL/min). The gas phase calibration was also carried out as reference for the non-solvent effect. A single tube filled with Tenax TA exhibited the least solvent effect with the short pre-purge (1 min), while being subject to the breakthrough at or above 10 min pre-purge. For a three-bed sorbent tube with Carboxen 1000, at least 10 min of pre-purge was needed for the compounds with a retention time close to methanol (e.g., propanal). Another three-bed tube with Carbopack X reduced the solvent effect efficiently for a short pre-purge (2 min) without the breakthrough. As such, the solvent effect can be adjusted by the proper control of the sorbent tube application.

  19. The fate of volatiles in mid-ocean ridge magmatism

    CERN Document Server

    Keller, Tobias; Hirschmann, Marc M

    2016-01-01

    Deep-Earth volatile cycles couple the mantle with near-surface reservoirs. Volatiles are emitted by volcanism and, in particular, from mid-ocean ridges, which are the most prolific source of basaltic volcanism. Estimates of volatile extraction from the asthenosphere beneath ridges typically rely on measurements of undegassed lavas combined with simple petrogenetic models of the mean degree of melting. Estimated volatile fluxes have large uncertainties; this is partly due to a poor understanding of how volatiles are transported by magma in the asthenosphere. Here, we assess the fate of mantle volatiles through numerical simulations of melting and melt transport at mid-ocean ridges. Our simulations are based on two-phase, magma/mantle dynamics theory coupled to an idealised thermodynamic model of mantle melting in the presence of water and carbon dioxide. We combine simulation results with catalogued observations of all ridge segments to estimate a range of likely volatile output from the global mid-ocean ridge...

  20. Rapid headspace solid-phase microextraction-gas chromatographic-time-of-flight mass spectrometric method for qualitative profiling of ice wine volatile fraction. I. Method development and optimization.

    Science.gov (United States)

    Setkova, Lucie; Risticevic, Sanja; Pawliszyn, Janusz

    2007-04-20

    An analytical method for the determination of volatile and semi-volatile compounds representing various chemical groups in ice wines was developed and optimized in the presented study. A combination of the fully automated solid-phase microextraction (SPME) sample preparation technique and gas chromatographic-mass spectrometric (GC-MS) system to perform the final chromatographic separation and identification of the analytes of interest was utilized. A time-of-flight mass spectrometric (TOF-MS) analyzer provided very rapid analysis of this relatively complex matrix. Full spectral information in the range of m/z 35-450 was collected across the short GC run (less than 5 min). Divinylbenzene/Carboxen/Polydimethylsiloxane (DVB/CAR/PDMS) 50/30 microm fiber performed best during the optimization experiments and it was used in the headspace SPME mode to isolate compounds from ice wine samples, consisting of 3 mL wine with 1g salt addition. After the sample incubation and extraction (both 5 min at 45 degrees C), analytes were thermally desorbed in the GC injector for 2 min (injector maintained at 260 degrees C) and transferred into the column. The MS data acquisition rate of 50 spectra/s was selected as optimal. The optimized analytical method did not exceed 20 min per sample, including both the isolation and pre-concentration of the analytes of interest, the final GC-TOF-MS analysis and the fiber bake-out. Both a linear temperature-programmed retention index (LTPRI) method using C(8)-C(20) alkanes loaded onto the fiber and a mass spectral library search were employed to identify the target compounds. The repeatability of the developed and optimized HS-SPME-GC-TOF-MS method for ice wine analysis, expressed as relative standard deviation (RSD, %, n=7), ranged from 3.2 to 9.0%.

  1. Co-transport of polycyclic aromatic hydrocarbons by motile microorganisms leads to enhanced mass transfer under diffusive conditions.

    Science.gov (United States)

    Gilbert, Dorothea; Jakobsen, Hans H; Winding, Anne; Mayer, Philipp

    2014-04-15

    The environmental chemodynamics of hydrophobic organic chemicals (HOCs) are often rate-limited by diffusion in stagnant boundary layers. This study investigated whether motile microorganisms can act as microbial carriers that enhance mass transfer of HOCs through diffusive boundary layers. A new experimental system was developed that allows (1) generation of concentration gradients of HOCs under the microscope, (2) exposure and direct observation of microorganisms in such gradients, and (3) quantification of HOC mass transfer. Silicone O-rings were integrated into a Dunn chemotaxis chamber to serve as sink and source for polycyclic aromatic hydrocarbons (PAHs). This resulted in stable concentration gradients in water (>24 h). Adding the model organism Tetrahymena pyriformis to the experimental system enhanced PAH mass transfer up to hundred-fold (benzo[a]pyrene). Increasing mass transfer enhancement with hydrophobicity indicated PAH co-transport with the motile organisms. Fluorescence microscopy confirmed such transport. The effective diffusivity of T. pyriformis, determined by video imaging microscopy, was found to exceed molecular diffusivities of the PAHs up to four-fold. Cell-bound PAH fractions were determined to range from 28% (naphthalene) to 92% (pyrene). Motile microorganisms can therefore function as effective carriers for HOCs under diffusive conditions and might significantly enhance mobility and availability of HOCs.

  2. Distribution and mass loss of volatile organic compounds in the surficial aquifer at sites FT03, LF13, and WP14/LF15, Dover Air Force Base, Delaware, November 2000-February 2001

    Science.gov (United States)

    Barbaro, Jeffrey R.; Neupane, Pradumna P.

    2002-01-01

    Ground-water and surface-water sampling was conducted in the natural attenuation study area in the East Management Unit of Dover Air Force Base, Delaware to determine the distributions of volatile organic compounds in the vicinity of four sites?Fire Training Area Three, the Rubble Area Landfill, the Receiver Station Landfill, and the Liquid Waste Disposal Landfill. This work was done by the U.S. Geological Survey, in cooperation with the U.S. Air Force, as part of an ongoing assessment of the effectiveness of natural attenuation at these sites. The specific objectives of the study were to (1) determine the areal and vertical extent of the contaminant plumes and source areas, (2) measure volatile organic compound concentrations in ground-water discharge areas and in surface water under base-flow conditions, (3) evaluate the potential for off-site migration of the mapped plumes, and (4) estimate the amount of mass loss downgradient of the Liquid Waste Disposal and Receiver Station Landfills. A direct-push drill rig and previously installed multi-level piezometers were used to determine the three-dimensional distributions of volatile organic compounds in the 30?60-foot-thick surficial aquifer underlying the natural attenuation study area. A hand -driven mini-piezometer was used to collect ground-water samples in ground-water discharge areas. A total of 319 ground-water and 4 surface-water samples were collected from November 2000 to February 2001 and analyzed for chlorinated solvents and fuel hydrocarbons. The contaminant plumes migrating from Fire Training Area Three and the Rubble Area Landfill are approximately 500 feet and 800 feet, respectively, in length. These plumes consist predominantly of cis-1,2-dichloroethene, a daughter product, indicating that extensive dechlorination of tetrachloroethene and trichloroethene has occurred at these sites. With an approximate length of 2,200 feet, the plume migrating from the Receiver Station and Liquid Waste Disposal

  3. Thermocline circulation and ventilation of the East/Japan Sea, part I: Water-mass characteristics and transports

    Science.gov (United States)

    You, Yuzhu; Chang, Kyung-Il; Yun, Jae-Yul; Kim, Kyung-Ryul

    2010-07-01

    three other major convection sites of the world's oceans, the Gulf of Lions, Labrador Sea and Greenland Sea, showing some common and distinctive features, especially the extremely low salinity of the EJS. Water-mass properties on neutral density surfaces are analyzed with the water-mass Turner angle (WTu) and circulation and transport are deducted from geostrophic calculations. From the 15-year mean hydrography, a basin-wide net annual mean transport of about 2.10±0.29 Sv (1 Sv=10 6 m 3 s -1) is estimated with summer and winter transports of 2.56±0.36 and 1.63±0.23 Sv, respectively. This transport is slightly less than the annual mean transport of the Tsushima Current at the KTS, 2.4 Sv from cable and 2.3 Sv from other direct current meter and geostrophic methods but matches the ±14% error bar of ±0.29 Sv adjusted by ±150 dbar from the reference level of 800 dbar. This error bar is close to the error of ±0.34 Sv determined from water-mass conservation residual in a separated study. Three mechanisms are discovered to explain the seasonal difference in the Tsushima Current transports: the stronger winter Ekman pumping, outcropping and southward crossing flow. During winter, the Tsushima Current branches are imposed under strong wind stress curl in the Ulleung Basin and Yamato Basin, showing a doubling Ekman downwelling transport, partly weakening the Tsushima Current flow in the eastern boundary. Meanwhile the thermocline isopycnal surfaces outcrop in winter, reducing volume transport due to reduced space and thickness. The southward currents in the southern Ulleung Basin and Yamato Basin are perpendicular to the Tsushima Current branches west of Japan, which weakens the eastern boundary current in winter.

  4. Analysis of Volatile Components in Semen Sojae Praepatum with Automatic Static Headspace and Gas Chromatography-Mass Spectrometry%静态顶空-气质联用分析淡豆豉中挥发性成分

    Institute of Scientific and Technical Information of China (English)

    柴川; 于生; 崔小兵; 张爱华; 朱栋; 单晨啸; 文红梅

    2013-01-01

    It was the first report on the volatile components contained in Semen Sojae Praepatum. For the analysis, the Semen Sojae Praepatum was analyzed by automatic static headspace and gas Chromatography-mass Spectrometry. A total of 27 compounds were identified in Semen Sojae Praepatum through the computer retrieval on the NIST5 mass spectral library. They consisted of 11 generality components, such as 2-Butanone, Butanal 3-methyl-, Butanal 2-methyl-, Limonene and 16 special components, such as copaene, Pyrazine, tetramethyl-, 2,3,5-Trimethyl-6-ethylpyrazine, Bicyclo[2.2.1]heptan-2-ol,1,7,7-trimethyl-,acetate,(1S-endo)-. Meanwhile, the quantitative analysis was taken using area normalization method, which showed that some difference was detected among six batches of Semen Sojae Praepatum. The results indicated that automatic static headspace and gas chromatography-mass spectrometry was a fast,easy,efficient and accurate method to analyze the volatile components in Semen Sojae Praepatum , and we thought that the findings may promote the fingerprint research of the volatile components in Semen Sojae Praepatum , to provide a scientific basis for the establishment of the quality standard.%  采用自动化静态顶空(HS)-气质联用(GC-MS)技术对6个批次淡豆豉的挥发性成分进行快速分析鉴定。从测定到的40多种成分中确定了2-丁酮、3-甲基丁醛、2-甲基丁醛、香芹烯等11种共有化合物及2,3,5-三甲基吡嗪、L-乙酸冰片酯、古巴烯、四甲基吡嗪等16种非共有化合物;同时使用峰面积归一化法计算了27种挥发性成分的相对含量,各组分的质量分数存在一定差异。研究表明,使用自动化静态顶空气质联用法测定淡豆豉的挥发性成分快速简便,且在一定程度上促进了淡豆豉挥发性成分的指纹图谱构建,为淡豆豉质量标准的建立提供了参考。

  5. Sintering kinetics and mass transport in ceramic engobes; Cinetica de sinterizacion y transporte de masa en engobes ceramicos por el metodo Pechini

    Energy Technology Data Exchange (ETDEWEB)

    Dal Bo, M.; Boschi, A. O.; Hotza, D.

    2013-10-01

    This work is concerned to study the sintering rate and mass transport mechanism in ceramic engobes. Specimens of engobes were prepared from a determined formulation by slip casting. Sintering was carried in two steps: (i) at constant heating rate of 7.5 degree centigrade/min and (ii) with an isothermal treatment, during 120 min. According to the dilatometric curves obtained with the engobe sintering during isothermal treatment, the dominant sintering mechanism and the rate of reactions, between the 775 and 975 degree centigrade, were determined. The results showed that between 775 and 800 degree centigrade, the sintering rate can be described by ln[d({Delta}L/L{sub 0})/dt] = -5.64 + 1.77.E10{sup -}3T. At higher temperatures, from 850 to 975 degree centigrade, this rate can be expressed by ln[d({Delta}L/L{sub 0})/ dt] = -30.73 + 3.E10{sup -}2T. The dominant transport mass mechanisms were the grain rearrangement, solution-precipitation and grain boundaries reaction. (Author)

  6. Regolith and Environment Science and Oxygen and Lunar Volatile Extraction (RESOLVE): Lunar Advanced Volatile Analysis (LAVA) Integration and Testing - Evaluation of Lee Valve

    Science.gov (United States)

    Bower, Hannah; Cryderman, Kate; Captain, Janine

    2016-01-01

    The Resource Prospector (RP) mission with the Regolith and Environment Science and Oxygen and Lunar Volatile Extraction (RESOLVE) payload will prospect for water within the lunar regolith and provide a proof of concept for In-Situ Resource Utilization (ISRU) techniques, which could be used on future lunar and Martian missions. One system within the RESOLVE payload is the Lunar Advanced Volatiles Analysis (LAVA) subsystem, which consists of a Fluid Sub System (FSS) that transports volatiles to the Gas Chromatograph-Mass Spectrometer (GC-MS) instrument. In order for the FSS to transport precise and accurate amounts of volatiles to the GC-MS instrumentation, high performance valves are used within the system. The focus of this investigation is to evaluate the redesigned Lee valve. Further work is needed to continue to evaluate the Lee valve. Initial data shows that the valve could meet our requirements however further work is required to raise the TRL to an acceptable level to be included in the flight design of the system. At this time the risk is too high to change our baseline design to include these non-latching Lee solenoid valves.

  7. Construction and analysis of correlation networks based on gas chromatography-mass spectrometry metabonomics data for lipopolysaccharide-induced inflammation and intervention with volatile oil from Angelica sinensis in rats.

    Science.gov (United States)

    Hua, Yong-li; Ji, Peng; Xue, Zi-yu; Wei, Yan-ming

    2015-11-01

    Angelica sinensis (AS) is a well-known important traditional Chinese medicine that yields a volatile oil with anti-inflammatory effects. However, the holistic therapeutic effects and the mechanism underlying such effects of the volatile oil of A. sinensis (VOAS) are not yet well understood. Here, a gas chromatography-mass spectrometry-based metabonomic study was conducted to explore the significantly altered metabolites for better understanding of VOAS and to assess the integral efficacy of VOAS on a lipopolysaccharide (LPS)-induced inflammation rat model. Principal component analysis was used to investigate the global metabonomic alterations and to evaluate the therapeutic effects of VOAS in rats. Clear separations were observed in the comparison of the metabolite profiles of the normal control (NC) group, the LPS-stimulated group (MI), the VOAS group, and the de