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Sample records for measured nh3 concentrations

  1. Technical pitfalls in measurement of venous plasma NH3 concentration.

    PubMed

    Gerron, G G; Ansley, J D; Isaacs, J W; Kutner, M H; Rudman, D

    1976-05-01

    Measurement of venous plasma NH3 in normal subjects by the ion-exchange method of Forman [Clin. Chem. 10, 497 (1964)] in a hospital clinical laboratory gave a mean value of 640 mug/liter (range, 300-1320 mug/liter; intraassay, intra-individual, and inter-individual coefficients of variation, 8, 47, and 47%, respectively). The following conditions adversely affect the reproducibility of the test: pollution of laboratory atmosphere and glassware by NH3-containing detergents; smoking by patient or analyst; delay, turbulence, or use of heparin lock in venipuncture; delay or warming of plasma above degrees C before mixing it with resin; and delay in colorimetric analysis of resin eluate. When these sources of error were eliminated, the mean value for normals was reduced to 330 mug/liter, the range was narrowed to 220-470 mug/liter, and the above-mentioned CV's were 5, 16, and 17%, respectively. With the precautions cited, furthermore, the intra-assay and intra-individual CV's for fasting NH3 concentration in cirrhotic patients were similarly reduced. An NH3 tolerance test was done by administering a standard dose of NH4Cl to patients and measuring venous plasma NH3 at 0, 15, 30, 60, and 90 min; the NH3 tolerance was quantified from the area under the curve relating concentration to time (mug - min/liter). As measured in the clinical laboratory, NH3 tolerance of cirrhotic patients showed intra-assay and intra-individual CV's of 50 to 90%. When the tolerance tests were repeated in the same subjects with the laboratory precautions listed above, these CV's were reduced to 8-15%.

  2. Evaluation study of the suitability of instrumentation to measure ambient NH3 concentrations under field conditions

    NASA Astrophysics Data System (ADS)

    Twigg, Marsailidh

    2017-04-01

    The uncertainties in emissions of ammonia (NH3) in Europe are large, partially due to the difficulty in monitoring of ambient concentrations due to its sticky nature. In the European Monitoring and Evaluation Program (EMEP) the current recommended guidelines to measure NH3 are by coated annular denuders with offline analysis. This method, however, is no longer used in most European countries and each one has taken a different strategy to monitor atmospheric ammonia due to the increase of commercial NH3 monitoring instrumentation available over the last 20 years. In June 2014, a 3 year project funded under the European Metrology Research Programme, "Metrology for Ammonia in Ambient Air" (MetNH3), started with the aim to develop metrological traceability for the measurement of NH3 in air from primary gas mixtures and instrumental standards to field application. This study presents the results from the field intercomparison (15 instruments) which was held in South East Scotland in August 2016 over an intensively managed grassland. The study compared active sampling methods to a meteorological traceable method which was developed during the project with the aim to produce a series of guidelines for ambient NH3 measurements. Preliminary results highlight both the importance of inlets and management of relative humidity in the measurement of ambient NH3 and of the requirement to carry out frequent intercomparison of NH3 instrumentation. Overall, it would be recommended from this study that a WMO-GAW world centre for NH3 would be established and support integration of standards into both routine and research measurements.

  3. Validation of model calculation of ammonia deposition in the neighbourhood of a poultry farm using measured NH 3 concentrations and N deposition

    NASA Astrophysics Data System (ADS)

    Sommer, S. G.; Østergård, H. S.; Løfstrøm, P.; Andersen, H. V.; Jensen, L. S.

    Substantial emission of ammonia (NH 3) from animal houses and the related high local deposition of NH 3-N are a threat to semi-natural nitrogen-deficient ecosystems situated near the NH 3 source. In Denmark, there are regulations limiting the level of NH 3 emission from livestock houses near N-deficient ecosystems that are likely to change due to nitrogen (N) enrichment caused by NH 3 deposition. The models used for assessing NH 3 emission from livestock production, therefore, need to be precise, as the regulation will affect both the nature of the ecosystem and the economy of the farmer. Therefore a study was carried out with the objective of validating the Danish model used to monitor NH 3 transport, dispersion and deposition from and in the neighbourhood of a chicken farm. In the study we measured NH 3 emission with standard flux measuring methods, NH 3 concentrations at increasing distances from the chicken houses using passive diffusion samplers and deposition using 15N-enriched biomonitors and field plot studies. The dispersion and deposition of NH 3 were modelled using the Danish OML-DEP model. It was also shown that model calculations clearly reflect the measured NH 3 concentration and N deposition. Deposition of N measured by biomonitors clearly reflected the variation in NH 3 concentrations and showed that deposition was not significantly different from zero ( P < 0.05) at distances greater than 150-200 m from these chicken houses. Calculations confirmed this, as calculated N deposition 320 m away from the chicken farm was only marginally affected by the NH 3 emission from the farm. There was agreement between calculated and measured deposition showing that the model gives true estimates of the deposition in the neighbourhood of a livestock house emitting NH 3.

  4. Bias in modeled bi-directional NH3 fluxes associated with temporal averaging of atmospheric NH3 concentrations

    EPA Science Inventory

    Direct flux measurements of NH3 are expensive, time consuming, and require detailed supporting measurements of soil, vegetation, and atmospheric chemistry for interpretation and model parameterization. It is therefore often necessary to infer fluxes by combining measurements of...

  5. Bias in modeled bi-directional NH3 fluxes associated with temporal averaging of atmospheric NH3 concentrations

    EPA Science Inventory

    Direct flux measurements of NH3 are expensive, time consuming, and require detailed supporting measurements of soil, vegetation, and atmospheric chemistry for interpretation and model parameterization. It is therefore often necessary to infer fluxes by combining measurements of...

  6. Time Resolved Measurement of Ecosystem-Atmosphere NH3 Exchange Using the Eddy Covariance Technique

    NASA Astrophysics Data System (ADS)

    Fischer, M. L.; Littlejohn, D.

    2005-12-01

    Quantifying ammonia fluxes between the land surface and atmosphere is required for effective control of air quality, improving agricultural practices, and understanding natural ecosystem function. Ammonia (NH3) is emitted in large but uncertain amounts from animal agriculture, in lesser amounts from imperfect use of nitrogen fertilizers in crop agriculture, from catalytic converters used on automobiles and other energy related industrial processes, and exchanged between the ecosystem and atmosphere by natural ecosystem processes on vast spatial scales. To address the need for accurate, time-resolved NH3 flux measurements, we have developed an eddy covariance (EC) instrument for direct measurements of NH3 flux. EC flux measurements of NH3 were not previously possible because instruments were not sufficiently sensitive at high frequencies required to capture rapid variations in surface layer NH3 concentrations. To overcome this hurdle we combined a tunable-diode-laser (TDL) spectrometer with a fast-response NH3 sampling inlet and automated pulse-response calibration system. Laboratory tests of the inlet system demonstrate that the response to 10 ppb step in NH3 concentration is well described by a double exponential model with (1/e) times of 0.3 (85% response) and 1.5 (15% response) seconds. This response combined with a routinely measured instrument stability of ~ 0.1 ppb (on 30 minute timescales) indicates that the instrumental contribution to noise in NH3 flux measurements is ~ 0.2 umol NH3 m-2 hr-1, sufficient to stringently test models for NH3 exchange under most conditions. Recent results of field work to verify the instrument performance and observe examples of NH3 exchange will be presented.

  7. Validation of NH3 satellite observations by ground-based FTIR measurements

    NASA Astrophysics Data System (ADS)

    Dammers, Enrico; Palm, Mathias; Van Damme, Martin; Shephard, Mark; Cady-Pereira, Karen; Capps, Shannon; Clarisse, Lieven; Coheur, Pierre; Erisman, Jan Willem

    2016-04-01

    Global emissions of reactive nitrogen have been increasing to an unprecedented level due to human activities and are estimated to be a factor four larger than pre-industrial levels. Concentration levels of NOx are declining, but ammonia (NH3) levels are increasing around the globe. While NH3 at its current concentrations poses significant threats to the environment and human health, relatively little is known about the total budget and global distribution. Surface observations are sparse and mainly available for north-western Europe, the United States and China and are limited by the high costs and poor temporal and spatial resolution. Since the lifetime of atmospheric NH3 is short, on the order of hours to a few days, due to efficient deposition and fast conversion to particulate matter, the existing surface measurements are not sufficient to estimate global concentrations. Advanced space-based IR-sounders such as the Tropospheric Emission Spectrometer (TES), the Infrared Atmospheric Sounding Interferometer (IASI), and the Cross-track Infrared Sounder (CrIS) enable global observations of atmospheric NH3 that help overcome some of the limitations of surface observations. However, the satellite NH3 retrievals are complex requiring extensive validation. Presently there have only been a few dedicated satellite NH3 validation campaigns performed with limited spatial, vertical or temporal coverage. Recently a retrieval methodology was developed for ground-based Fourier Transform Infrared Spectroscopy (FTIR) instruments to obtain vertical concentration profiles of NH3. Here we show the applicability of retrieved columns from nine globally distributed stations with a range of NH3 pollution levels to validate satellite NH3 products.

  8. An evaluation of IASI-NH3 with ground-based Fourier transform infrared spectroscopy measurements

    NASA Astrophysics Data System (ADS)

    Dammers, Enrico; Palm, Mathias; Van Damme, Martin; Vigouroux, Corinne; Smale, Dan; Conway, Stephanie; Toon, Geoffrey C.; Jones, Nicholas; Nussbaumer, Eric; Warneke, Thorsten; Petri, Christof; Clarisse, Lieven; Clerbaux, Cathy; Hermans, Christian; Lutsch, Erik; Strong, Kim; Hannigan, James W.; Nakajima, Hideaki; Morino, Isamu; Herrera, Beatriz; Stremme, Wolfgang; Grutter, Michel; Schaap, Martijn; Wichink Kruit, Roy J.; Notholt, Justus; Coheur, Pierre-F.; Erisman, Jan Willem

    2016-08-01

    Global distributions of atmospheric ammonia (NH3) measured with satellite instruments such as the Infrared Atmospheric Sounding Interferometer (IASI) contain valuable information on NH3 concentrations and variability in regions not yet covered by ground-based instruments. Due to their large spatial coverage and (bi-)daily overpasses, the satellite observations have the potential to increase our knowledge of the distribution of NH3 emissions and associated seasonal cycles. However the observations remain poorly validated, with only a handful of available studies often using only surface measurements without any vertical information. In this study, we present the first validation of the IASI-NH3 product using ground-based Fourier transform infrared spectroscopy (FTIR) observations. Using a recently developed consistent retrieval strategy, NH3 concentration profiles have been retrieved using observations from nine Network for the Detection of Atmospheric Composition Change (NDACC) stations around the world between 2008 and 2015. We demonstrate the importance of strict spatio-temporal collocation criteria for the comparison. Large differences in the regression results are observed for changing intervals of spatial criteria, mostly due to terrain characteristics and the short lifetime of NH3 in the atmosphere. The seasonal variations of both datasets are consistent for most sites. Correlations are found to be high at sites in areas with considerable NH3 levels, whereas correlations are lower at sites with low atmospheric NH3 levels close to the detection limit of the IASI instrument. A combination of the observations from all sites (Nobs = 547) give a mean relative difference of -32.4 ± (56.3) %, a correlation r of 0.8 with a slope of 0.73. These results give an improved estimate of the IASI-NH3 product performance compared to the previous upper-bound estimates (-50 to +100 %).

  9. Characterizing the influence of highways on springtime NO2 and NH3 concentrations in regional forest monitoring plots.

    PubMed

    Watmough, Shaun A; McDonough, Andrew M; Raney, Shanel M

    2014-07-01

    Highways are major sources of nitrogen dioxide (NO2) and ammonia (NH3). In this study, springtime NO2 and NH3 concentrations were measured at 17 Ontario Forest Biomonitoring Network (OFBN) plots using passive samplers. Average springtime NO2 concentrations were between 1.3 μg m(-3) and 27 μg m(-3), and NH3 concentrations were between 0.2 μg m(-3) and 1.7 μg m(-3), although concentrations measured in May (before leaf out) were typically twice as high as values recorded in June. Average NO2 concentrations, and to a lesser extent NH3, could be predicted by road density at all radii (around the plot) tested (500 m, 1000 m, 1500 m). Springtime NO2 concentrations were predicted for a further 50 OFBN sites. Normalized plant/lichen N concentrations were positively correlated with estimated springtime NO2 and NH3 concentrations. Epiphytic foliose lichen richness decreased with increasing NO2 and NH3, but vascular plant richness was positively related to estimated springtime NO2 and NH3. Copyright © 2014 Elsevier Ltd. All rights reserved.

  10. Advection of NH3 over a pasture field, and its effect on gradient flux measurements

    NASA Astrophysics Data System (ADS)

    Loubet, B.; Milford, C.; Hensen, A.; Daemmgen, U.; Erisman, J.-W.; Cellier, P.; Sutton, M. A.

    2009-01-01

    Deposition of atmospheric ammonia (NH3) to semi-natural ecosystems leads to serious adverse effects, such as acidification and eutrophication. A step in this quantification is the measurement of NH3 fluxes over semi-natural and agricultural land. However, measurement of NH3 fluxes over vegetation in the vicinity of strong NH3 sources is difficult, since NH3 emissions are highly heterogeneous. Indeed, under such conditions, local advection errors may alter the measured fluxes. In this study, local advection errors (Δ Fz,adv) were estimated over a 14 ha grassland field, which was successively cut and fertilised, as part of the GRAMINAE integrated Braunschweig experiment. The magnitude of Δ Fz,adv was determined up to 810 m downwind from farm buildings emitting between 6 and 12 kg NH3 day-1. The GRAMINAE experiment provided a unique opportunity to compare two methods of estimating Δ Fz,adv: (1) based on direct measurements of horizontal concentration gradients, and (2) based on inverse dispersion modelling. Two sources of local advection were clearly identified: the farm NH3 emissions leading to positive Δ Fz,adv, and field NH3 emissions, after cutting and fertilisation, which led to a negative Δ Fz,adv. The local advection flux from the farm was in the range 0 to 27 ng m-2 s-1 NH3 at 610 m from the farm, whereas Δ Fz,adv due to field emission was proportional to the local flux, and ranged between -209 and 13 ng m-2 s-1 NH3. The local advection flux Δ Fz,adv was either positive or negative depending on the magnitude of these two contributions. The modelled and measured advection errors agreed well, provided the modelled Δ Fz,adv was estimated at 2 m height. This study constitutes the first attempt to validate the inverse modelling approach to determine advection errors for NH3. The measured advection errors, relative to the vertical flux at 1 m height, were 121% on average, before the field was cut (when downwind of the farm), and less than 7% when the field

  11. A SCR Model Calibration Approach with Spatially Resolved Measurements and NH3 Storage Distributions

    DOE PAGES

    Song, Xiaobo; Parker, Gordon G.; Johnson, John H.; ...

    2014-11-27

    The selective catalytic reduction (SCR) is a technology used for reducing NO x emissions in the heavy-duty diesel (HDD) engine exhaust. In this study, the spatially resolved capillary inlet infrared spectroscopy (Spaci-IR) technique was used to study the gas concentration and NH3 storage distributions in a SCR catalyst, and to provide data for developing a SCR model to analyze the axial gaseous concentration and axial distributions of NH3 storage. A two-site SCR model is described for simulating the reaction mechanisms. The model equations and a calculation method was developed using the Spaci-IR measurements to determine the NH3 storage capacity andmore » the relationships between certain kinetic parameters of the model. Moreover, a calibration approach was then applied for tuning the kinetic parameters using the spatial gaseous measurements and calculated NH3 storage as a function of axial position instead of inlet and outlet gaseous concentrations of NO, NO2, and NH3. The equations and the approach for determining the NH3 storage capacity of the catalyst and a method of dividing the NH3 storage capacity between the two storage sites are presented. It was determined that the kinetic parameters of the adsorption and desorption reactions have to follow certain relationships for the model to simulate the experimental data. Finally, the modeling results served as a basis for developing full model calibrations to SCR lab reactor and engine data and state estimator development as described in the references (Song et al. 2013a, b; Surenahalli et al. 2013).« less

  12. Advection of NH3 over a pasture field and its effect on gradient flux measurements

    NASA Astrophysics Data System (ADS)

    Loubet, B.; Milford, C.; Hensen, A.; Daemmgen, U.; Erisman, J.-W.; Cellier, P.; Sutton, M. A.

    2009-07-01

    Deposition of atmospheric ammonia (NH3) to semi-natural ecosystems leads to serious adverse effects, such as acidification and eutrophication. A step in quantifying such effects is the measurement of NH3 fluxes over semi-natural and agricultural land. However, measurement of NH3 fluxes over vegetation in the vicinity of strong NH3 sources is challenging, since NH3 emissions are highly heterogeneous. Indeed, under such conditions, local advection errors may alter the measured fluxes. In this study, local advection errors (ΔFz,adv) were estimated over a 14 ha grassland field, which was successively cut and fertilised, as part of the GRAMINAE integrated Braunschweig experiment. The magnitude of ΔFz,adv was determined up to 810 m downwind from farm buildings emitting between 6.2 and 9.9 kg NH3 day-1. The GRAMINAE experiment provided a unique opportunity to compare two methods of estimating ΔFz,adv: one inference method based on measurements of horizontal concentration gradients, and one based on inverse dispersion modelling with a two-dimensional model. Two sources of local advection were clearly identified: the farm NH3 emissions leading to positive ΔFz,adv ("bias towards emissions") and field NH3 emissions, which led to a negative ΔFz,adv ("bias towards deposition"). The local advection flux from the farm was in the range 0 to 27 ng NH3 m-2 s-1 at 610 m from the farm, whereas ΔFz,adv due to field emission was proportional to the local flux, and ranged between -209 and 13 ng NH3 m-2 s-1. The local advection flux ΔFz,adv was either positive or negative depending on the magnitude of these two contributions. The modelled and inferred advection errors agreed well. The inferred advection errors, relative to the vertical flux at 1 m height, were 52% on average, before the field was cut, and less than 2.1% when the field was fertilised. The variability of the advection errors in response to changes in micrometeorological conditions is also studied. The limits of the 2

  13. High-resolution absorption measurements of NH3 at high temperatures: 500-2100 cm-1

    NASA Astrophysics Data System (ADS)

    Barton, Emma J.; Yurchenko, Sergei N.; Tennyson, Jonathan; Clausen, Sønnik; Fateev, Alexander

    2015-12-01

    High-resolution absorption spectra of NH3 in the region 500-2100 cm-1 at temperatures up to 1027 °C and approximately atmospheric pressure (1013±20 mbar) are measured. NH3 concentrations of 1000 ppm, 0.5% and 1% in volume fraction were used in the measurements. Spectra are recorded in high temperature gas flow cells using a Fourier Transform Infrared (FTIR) spectrometer at a nominal resolution of 0.09 cm-1. Measurements at 22.7 °C are compared to high-resolution cross sections available from the Pacific Northwest National Laboratory (PNNL). The higher temperature spectra are analysed by comparison to a variational line list, BYTe, and experimental energy levels determined using the MARVEL procedure. Approximately 2000 lines have been assigned, of which 851 are newly assigned to mainly hot bands involving vibrational states as high as v2=5.

  14. High-resolution absorption measurements of NH3 at high temperatures: 2100-5500 cm-1

    NASA Astrophysics Data System (ADS)

    Barton, Emma J.; Yurchenko, Sergei N.; Tennyson, Jonathan; Clausen, Sønnik; Fateev, Alexander

    2017-03-01

    High-resolution absorption spectra of NH3 in the region 2100-5500 cm-1 at 1027 °C and approximately atmospheric pressure (1045±3 mbar) are measured. An NH3 concentration of 10% in volume fraction is used in the measurements. Spectra are recorded in a high-temperature gas-flow cell using a Fourier Transform Infrared (FTIR) spectrometer at a nominal resolution of 0.09 cm-1. The spectra are analysed by comparison to a variational line list, BYTe, and experimental energy levels determined using the MARVEL procedure. 2308 lines have been assigned to 45 different bands, of which 1755 and 15 have been assigned or observed for the first time in this work.

  15. Two-stage biofilter for effective NH3 removal from waste gases containing high concentrations of H2S.

    PubMed

    Chung, Ying-Chien; Ho, Kuo-Ling; Tseng, Ching-Ping

    2007-03-01

    A high H2S concentration inhibits nitrification when H2S and NH3 are simultaneously treated in a single biofilter. To improve NH3 removal from waste gases containing concentrated H2S, a two-stage biofilter was designed to solve the problem. In this study, the first biofilter, inoculated with Thiobacillus thioparus, was intended mainly to remove H2S and to reduce the effect of H2S concentration on nitrification in the second biofilter, and the second biofilter, inoculated with Nitrosomonas europaea, was to remove NH3. Extensive studies, which took into account the characteristics of gas removal, the engineering properties of the two biofilters, and biological parameters, were conducted in a 210-day operation. The results showed that an average 98% removal efficiency for H2S and a 100% removal efficiency for NH3 (empty bed retention time = 23-180 sec) were achieved after 70 days. The maximum degradation rate for NH3 was measured as 2.35 g N day(-1) kg of dry granular activated carbon(-1). Inhibition of nitrification was not found in the biofilter. This two-stage biofilter also exhibited good adaptability to shock loading and shutdown periods. Analysis of metabolic product and observation of the bacterial community revealed no obvious acidification or alkalinity phenomena. In addition, a lower moisture content (approximately 40%) for microbial survival and low pressure drop (average 24.39 mm H2O m(-1)) for system operation demonstrated that the two-stage biofilter was energy saving and economic. Thus, the two-stage biofilter is a feasible system to enhance NH3 removal in the concentrated coexistence of H2S.

  16. Rotational study of the NH3-CO complex: Millimeter-wave measurements and ab initio calculations

    NASA Astrophysics Data System (ADS)

    Surin, L. A.; Potapov, A.; Dolgov, A. A.; Tarabukin, I. V.; Panfilov, V. A.; Schlemmer, S.; Kalugina, Y. N.; Faure, A.; van der Avoird, A.

    2015-03-01

    The rotational spectrum of the van der Waals complex NH3-CO has been measured with the intracavity OROTRON jet spectrometer in the frequency range of 112-139 GHz. Newly observed and assigned transitions belong to the K = 0-0, K = 1-1, K = 1-0, and K = 2-1 subbands correlating with the rotationless (jk)NH3 = 00 ground state of free ortho-NH3 and the K = 0-1 and K = 2-1 subbands correlating with the (jk)NH3 = 11 ground state of free para-NH3. The (approximate) quantum number K is the projection of the total angular momentum J on the intermolecular axis. Some of these transitions are continuations to higher J values of transition series observed previously [C. Xia et al., Mol. Phys. 99, 643 (2001)], the other transitions constitute newly detected subbands. The new data were analyzed together with the known millimeter-wave and microwave transitions in order to determine the molecular parameters of the ortho-NH3-CO and para-NH3-CO complexes. Accompanying ab initio calculations of the intermolecular potential energy surface (PES) of NH3-CO has been carried out at the explicitly correlated coupled cluster level of theory with single, double, and perturbative triple excitations and an augmented correlation-consistent triple zeta basis set. The global minimum of the five-dimensional PES corresponds to an approximately T-shaped structure with the N atom closest to the CO subunit and binding energy De = 359.21 cm-1. The bound rovibrational levels of the NH3-CO complex were calculated for total angular momentum J = 0-6 on this intermolecular potential surface and compared with the experimental results. The calculated dissociation energies D0 are 210.43 and 218.66 cm-1 for ortho-NH3-CO and para-NH3-CO, respectively.

  17. Rotational study of the NH3-CO complex: millimeter-wave measurements and ab initio calculations.

    PubMed

    Surin, L A; Potapov, A; Dolgov, A A; Tarabukin, I V; Panfilov, V A; Schlemmer, S; Kalugina, Y N; Faure, A; van der Avoird, A

    2015-03-21

    The rotational spectrum of the van der Waals complex NH3-CO has been measured with the intracavity OROTRON jet spectrometer in the frequency range of 112-139 GHz. Newly observed and assigned transitions belong to the K = 0-0, K = 1-1, K = 1-0, and K = 2-1 subbands correlating with the rotationless (jk)NH3 = 00 ground state of free ortho-NH3 and the K = 0-1 and K = 2-1 subbands correlating with the (jk)NH3 = 11 ground state of free para-NH3. The (approximate) quantum number K is the projection of the total angular momentum J on the intermolecular axis. Some of these transitions are continuations to higher J values of transition series observed previously [C. Xia et al., Mol. Phys. 99, 643 (2001)], the other transitions constitute newly detected subbands. The new data were analyzed together with the known millimeter-wave and microwave transitions in order to determine the molecular parameters of the ortho-NH3-CO and para-NH3-CO complexes. Accompanying ab initio calculations of the intermolecular potential energy surface (PES) of NH3-CO has been carried out at the explicitly correlated coupled cluster level of theory with single, double, and perturbative triple excitations and an augmented correlation-consistent triple zeta basis set. The global minimum of the five-dimensional PES corresponds to an approximately T-shaped structure with the N atom closest to the CO subunit and binding energy De = 359.21 cm(-1). The bound rovibrational levels of the NH3-CO complex were calculated for total angular momentum J = 0-6 on this intermolecular potential surface and compared with the experimental results. The calculated dissociation energies D0 are 210.43 and 218.66 cm(-1) for ortho-NH3-CO and para-NH3-CO, respectively.

  18. Validation of flux measurements with artificial sources: simulating CH4 from cows and NH3 emissions from medium plot scales

    NASA Astrophysics Data System (ADS)

    Sintermann, Jörg; Felber, Raphael; Häni, Christoph; Ammann, Christof; Neftel, Albrecht

    2014-05-01

    Mitigation of ammonia (NH3) emissions with detrimental environmental effects as well as of greenhouse gas emissions (GHG: CO2, N2O, CH4) are key challenges faced by the agricultural production sector. While NH3 originates mainly from polluted surfaces, e.g. after slurry application, the main source for CH4 emissions are cows and other ruminating animals, representing point sources. There are two widespread state-of-the-art techniques to determine agricultural emissions: eddy covariance (EC) flux measurements and Lagrangian stochastic (LS) dispersion modelling, namely the WindTrax (WT) model. Whereas GHG emissions can be measured with both techniques, NH3 emissions are usually not feasible with EC measurements due to the stickiness of NH3 molecules on surfaces. In addition, point sources render difficulties for the interpretation of EC flux data. We tested the EC technique and the WT model using artificial sources with known gas release rates. i) The effect of a point source on EC fluxes was investigated by placing an artificial CH4 source with known release rate upwind of the EC tower at two different heights and during different wind conditions. ii) The WT model was checked with a NH3 release grid of 314 m2 of known source strength. Ambient NH3 concentrations were measured by open path DOAS systems and impinger sampling. The CH4 concentration timeseries influenced by the point source showed a similar pattern as in the presence of cows upwind of the EC system. CH4 release rates from the point source were reproduced by the EC flux measurement with stationary background conditions only. The experiments with the NH3 release showed that WT performs well for emission determination, even in complex terrain (asphalt surrounded by grassland) with associated micrometeorology, given a realistic description of the vertical profile of wind velocity. Calculated gas recoveries ranged between 73 to 105%. Such a result is encouraging considering the immanent uncertainties from a

  19. Indirect measurement of N-14 quadrupolar coupling for NH3 intercalated in potassium graphite

    NASA Technical Reports Server (NTRS)

    Tsang, T.; Fronko, R. M.; Resing, H. A.

    1987-01-01

    A method for indirect measurement of the nuclear quadrupolar coupling was developed and applied to NH3 molecules in the graphite intercalation compound K(NH3)4.3C24, which has a layered structure with alternating carbon and intercalant layers. Three triplets were observed in the H-1 NMR spectra of the compound. The value of the N-14 quadrupolar coupling constant of NH3 (3.7 MHz), determined indirectly from the H-1 NMR spectra, was intermediate between the gas value of 4.1 MHz and the solid-state value of 3.2 MHz. The method was also used to deduce the (H-1)-(H-1) and (N-14)-(H-1) dipolar interactions, the H-1 chemical shifts, and the molecular orientations and motions of NH3.

  20. Indirect measurement of N-14 quadrupolar coupling for NH3 intercalated in potassium graphite

    NASA Technical Reports Server (NTRS)

    Tsang, T.; Fronko, R. M.; Resing, H. A.

    1987-01-01

    A method for indirect measurement of the nuclear quadrupolar coupling was developed and applied to NH3 molecules in the graphite intercalation compound K(NH3)4.3C24, which has a layered structure with alternating carbon and intercalant layers. Three triplets were observed in the H-1 NMR spectra of the compound. The value of the N-14 quadrupolar coupling constant of NH3 (3.7 MHz), determined indirectly from the H-1 NMR spectra, was intermediate between the gas value of 4.1 MHz and the solid-state value of 3.2 MHz. The method was also used to deduce the (H-1)-(H-1) and (N-14)-(H-1) dipolar interactions, the H-1 chemical shifts, and the molecular orientations and motions of NH3.

  1. On-road measurement of NH3 and N2O emissions from a Euro V heavy-duty vehicle

    NASA Astrophysics Data System (ADS)

    Suarez-Bertoa, Ricardo; Mendoza-Villafuerte, Pablo; Bonnel, Pierre; Lilova, Velizara; Hill, Leslie; Perujo, Adolfo; Astorga, Covadonga

    2016-08-01

    The use of selective catalytic reduction systems (SCR) to abate NOx vehicular emissions brings new concerns on the emissions of the byproducts NH3 and N2O. Therefore, NH3 and N2O on-road emissions from a Euro V truck equipped with a SCR were measured in real time using a QCL-IR. Results bring to light possibility to perform this kind of real time measurements for other pollutants besides, hydrocarbons, NOx, CO and CO2. The capability to measure NH3 and N2O in a second-by-second basis will allow applying the currently agreed regulatory emissions evaluation for gaseous compounds. Average N2O emission factors calculated applying the current PEMS-based data analysis to all available windows from the tests ranged from 0.063 g/kWh to 0.139 g/kWh. Average NH3 concentrations ranged from 0.9 ppm to 5.7 ppm. Although calculated average N2O and NH3 emissions were within current limits, NOx emissions were substantially higher than Euro V limits under the studied conditions.

  2. MARVEL analysis of the measured high-resolution spectra of 14NH3

    NASA Astrophysics Data System (ADS)

    Al Derzi, Afaf R.; Furtenbacher, Tibor; Tennyson, Jonathan; Yurchenko, Sergei N.; Császár, Attila G.

    2015-08-01

    Accurate, experimental rotational-vibrational energy levels and line positions, with associated labels and uncertainties, are reported for the ground electronic state of the symmetric-top 14NH3 molecule. All levels and lines are based on critically reviewed and validated high-resolution experimental spectra taken from 56 literature sources. The transition data are in the 0.7-17 000 cm-1 region, with a large gap between 7000 and 15 000 cm-1. The MARVEL (Measured Active Rotational-Vibrational Energy Levels) algorithm is used to determine the energy levels. Out of the 29 450 measured transitions 10 041 and 18 947 belong to ortho- and para-14NH3, respectively. A careful analysis of the related experimental spectroscopic network (SN) allows 28 530 of the measured transitions to be validated, 18 178 of these are unique, while 462 transitions belong to floating components. Despite the large number of spectroscopic measurements published over the last 80 years, the transitions determine only 30 vibrational band origins of 14NH3, 8 for ortho- and 22 for para-14NH3. The highest J value, where J stands for the rotational quantum number, for which an energy level is validated is 31. The number of experimental-quality ortho- and para-14NH3 rovibrational energy levels is 1724 and 3237, respectively. The MARVEL energy levels are checked against ones in the BYTe first-principles database, determined previously. The lists of validated lines and levels for 14NH3 are deposited in the Supporting Information to this paper. Combination of the MARVEL energy levels with first-principles absorption intensities yields a huge number of experimental-quality rovibrational lines, which should prove to be useful for the understanding of future complex high-resolution spectroscopy on 14NH3; these lines are also deposited in the Supporting Information to this paper.

  3. Eddy covariance measurements of NH3 fluxes over a natural grass land with an open-path quantum cascade laser-based sensor

    NASA Astrophysics Data System (ADS)

    Pan, D.; Benedict, K. B.; Ham, J. M.; Prenni, A. J.; Schichtel, B. A.; Collett, J. L., Jr.; Zondlo, M. A.

    2015-12-01

    NH3 is an important component of the bio-atmospheric N cycle with implications for regional air quality, human and ecosystem health degradation, and global climate change. However, measuring NH3 flux is challenging, requiring a sensor with high sensitivity (sub-ppbv), fast response time and the capability to account for NH3 adsorption effects. In this study, we address these issues with an open-path quantum-cascade-based sensor for eddy covariance (EC) measurements. Previously, our EC NH3 sensor was deployed over a feedlot in Colorado in 2013 and 2014, and the results showed the potential of the sensor to measure NH3 emissions from agricultural sources. In the summer of 2015, the sensor was installed at a remote monitoring site in Rocky Mountain National Park to measure NH3 flux over a natural grass land. During the deployment, the precision of the sensor was about 0.15 ppbv at 10 Hz, and the detection limit of the flux was estimated to be 0.7±0.5 ng NH3/s/m2. The cospectra of the NH3 flux closely resembled those of CO2 flux and sensible heat flux measured by a LI-7500 CO2 analyzer and a CSAT3 sonic anemometer. The ogive analyses indicated that the loss of NH3 fluxes due to various damping effects was about 15%. Examining initial results from a few days of measurement, the measured NH3 fluxes appear to have a strong diurnal pattern with local emissions during afternoon, a pattern not previously reported for remote grass land. The pattern is consistent with background NH3 concentration measured by PICARRO NH3 analyzer, although summertime afternoon concentration increases at the site have previously been associated with upslope transport from urban and agricultural regions to the east. The results demonstrate the sensor's capability to measure NH3 flux in low NH3 conditions and also show that more measurements are needed to investigate spatial and temporal variability of NH3 flux.

  4. Open-path Atmospheric N2O, CO, and NH3 Measurements Using Quantum Cascade Laser Spectroscopy

    NASA Astrophysics Data System (ADS)

    Sun, K.; Khan, A.; Miller, D. J.; Rafferty, K.; Schreiber, J.; Puzio, C.; Portenti, M.; Silver, J.; Zondlo, M. A.

    2010-12-01

    We develop a compact, mid-infrared quantum cascade (QC) laser based sensor to perform high precision measurements of N2O and CO simultaneously. Since CO is a good tracer of anthropogenic emissions, simultaneous measurements of CO and N2O allow us to correlate the sources of N2O emissions. The thermoelectrically (TE) cooled, and continuous wave QC laser enables room-temperature and unattended operation. The laser is scanned over the absorption features of N2O and CO near 4.54 μm by laser current modulation. A novel cylindrical multi-pass optical cell terminated at the (N/2)th spot is used to simplify the optical configuration by separating the laser and TE cooled detector. Our systems are open-path and non-cryogenic, which avoids vacuum pump and liquid nitrogen. This configuration enables a future design of a non-intrusive, compact (shoe box size), and low-power (10W) sensor. Wavelength modulation spectroscopy (WMS) is used to enhance measurement sensitivity. Higher-harmonic detection (4f and 6f) is performed to improve the resolution between the nearly overlapping N2O and CO lines. Relevant atmospheric N2O and CO concentration is measured, with a detection limit of 0.3 ppbv for N2O and 2 ppbv for CO for 1 s averaging in terms of noise. We also develop an open-path high sensitivity atmospheric ammonia (NH3) sensor using a very similar instrument design. A 9.06 μm QC laser is used to probe absorption features of NH3. Open-path detection of NH3 is even more beneficial due to the surface absorption effect of NH3 and its tendency to readily partition into condensed phases. The NH3 sensor was deployed at the CALNEX 2010 field campaign. The entire system was stable throughout the campaign and acquired data with 10 s time resolution under adverse ambient temperatures and dusty conditions. The measurements were in general agreement with other NH3 and trace gases sensors. Both the N2O/CO and NH3 sensors will be deployed in a local eddy-covariance station to examine long

  5. Recovery rates from line-integrated NH_{3} and CH_{4} measurements using backward Lagrangian stochastic dispersion modelling

    NASA Astrophysics Data System (ADS)

    Häni, Christoph; Voglmeier, Karl; Jocher, Markus; Ammann, Christof

    2017-04-01

    Inverse dispersion modelling, i.a. backward Lagrangian stochastic (bLS) dispersion modelling, has become a popular way to estimate trace gas losses from field measurements (Harper et al., 2011). Numerous investigations using bLS modelling include methane (CH4) and ammonia (NH3) emission estimations based on experimental plots with dimensions between approximately 102 to 104 m2. Whereas for CH4 deposition processes can be neglected, NH3 has a strong affinity to any surface and is therefore efficiently deposited. In general, bLS models treat the modelled gases as inert gases. Such a standard bLS approach will underestimate NH3 emissions due to the neglecting of the dry deposition process. We conducted a release experiment with an artificial source that consisted of 36 individual orifices mimicking a circular area source with a radius of 10 m. We released a gas mixture consisting of 5% NH3 and 95% CH4. We simultaneously measured line integrated NH3 and CH4 concentrations upwind and downwind of the source using open-path measuring systems (miniDOAS, Sintermann et al., 2016; GasFinder, Boreal Laser, Inc., Edmonton, Alberta, Canada) and calculated corresponding recovery rates using a bLS model (Flesch et al., 2004). With the direct comparison of calculated NH3 and CH4 recovery rates we can quantify the amount of NH3 deposited. An attempt was made to include a simple dry deposition scheme in the bLS model. References Flesch, T.K., Wilson, J.D., Harper, L.A., Crenna, B.P., Sharpe, R.R., 2004. Deducing ground-to-air emissions from observed trace gas concentrations: A field trial. J. Appl. Meteorol. 43 (3), 487-502. Harper, L.A., Denmead, O.T., Flesch, T.K., 2011. Micrometeorological techniques for measurement of enteric greenhouse gas emissions. Anim. Feed Sci. Technol. 166-167, 227-239. Sintermann, J., Dietrich, K., Häni, C., Bell, M., Jocher, M., Neftel, A., 2016. A miniDOAS instrument optimised for ammonia field measurements. Atmos. Meas. Tech. 9 (6), 2721-2734. 10

  6. Ground-based FTIR measurements of NH3 total columns and comparison with IASI data

    NASA Astrophysics Data System (ADS)

    Vigouroux, Corinne; De Mazière, Martine; Desmet, Filip; Hermans, Christian; Langerock, Bavo; Scolas, Francis; Van Damme, Martin; Clarisse, Lieven; Coheur, Pierre-François

    2013-04-01

    Atmospheric ammonia (NH3) dominates global emissions of total reactive nitrogen. It has an impact on human health, as a precursor of fine particulate matter, and on Earth's ecosystems, via deposition. The main source of global NH3 emissions is agriculture, the remaining ones being the oceans, natural vegetation, humans, wild animals and biomass burning. The global atmospheric budget of NH3 is still very uncertain in chemical models, highlighting the critical need for satellite and ground-based observations. We present, for the first time, time-series (2009 - 2011) of NH3 total columns obtained from ground-based FTIR measurements. These observations are performed at Reunion Island (21°S, 55°E), one of the two subtropical stations, in Southern Hemisphere, of the ground-based Network for the Detection of Atmospheric Composition Change (NDACC) equipped with FTIR instruments. The seasonal and inter-annual variabilities of ammonia observed at Reunion Island from the ground are compared to the ones derived from recent IASI data obtained with a new retrieval method based on the calculation of a Hyperspectral Range Index.

  7. Removal of high concentration of NH3 and coexistent H2S by biological activated carbon (BAC) biotrickling filter.

    PubMed

    Chung, Ying-Chien; Lin, Yu-Yen; Tseng, Ching-Ping

    2005-11-01

    High efficiency of NH3 and H2S removal from waste gases was achieved by the biotrickling filter. Granular activated carbon (GAC), inoculated with Arthrobacter oxydans CH8 for NH3 removal and Pseudomonas putida CH11 for H2S removal, was used as packing material. Under conditions in which 100% H2S was removed, extensive tests to eliminate high concentrations of NH3 emission-including removal characteristics, removal efficiency, and removal capacity of the system-were performed. The results of the Bed Depth Service Time (BDST) experiment suggested that physical adsorption of NH3 gas by GAC was responsible for the first 10 days, after which NH3 gas was biodegraded by inoculated microorganisms. The dynamic steady state between physical adsorption and biodegradation was about two weeks. After the system achieved equilibrium, the BAC biotrickling filter exhibited high adaptation to shock loading, elevated temperature, and flow rate. Greater than 96% removal efficiency for NH3 was achieved during the 140-day operating period when inlet H2S loading was maintained at 6.25 g-S/m3/h. During the operating period, the pH varied between 6.5 and 8.0 after the physical adsorption stage, and no acidification or alkalinity was observed. The results also demonstrated that NH3 removal was not affected by the coexistence of H2S while gas retention time was the key factor in system performance. The retention time of at least 65 s is required to obtain a greater than 95% NH3 removal efficiency. The critical loading of NH3 for the system was 4.2 g-N/m3/h, and the maximal loading was 16.2 g-N/m3/h. The results of this study could be used as a guide for further design and operation of industrial-scale systems.

  8. Spatial Scale Variability of NH3 and Impacts to interpolated Concentration Grids

    EPA Science Inventory

    Over the past decade, reduced nitrogen (NH3, NH4) has become an important component of atmospheric nitrogen deposition due to increases in agricultural activities and reductions in oxidized sulfur and nitrogen emissions from the power sector and mobile sources. Reduced nitrogen i...

  9. Spatial Scale Variability of NH3 and Impacts to interpolated Concentration Grids

    EPA Science Inventory

    Over the past decade, reduced nitrogen (NH3, NH4) has become an important component of atmospheric nitrogen deposition due to increases in agricultural activities and reductions in oxidized sulfur and nitrogen emissions from the power sector and mobile sources. Reduced nitrogen i...

  10. Measurements of NO2, SO2, NH3, HNO3 and O3 in West African urban environments

    NASA Astrophysics Data System (ADS)

    Adon, Marcellin; Yoboué, Véronique; Galy-Lacaux, Corinne; Liousse, Catherine; Diop, Babakar; Doumbia, El Hadji Thierno; Gardrat, Eric; Ndiaye, Seydi Ababacar; Jarnot, Christian

    2016-06-01

    In this paper, we present the measurements of atmospheric gas concentrations of NO2, SO2, NH3, HNO3, and O3 performed at two traffic sites in the context of the POLCA (Pollution of African Capitals) program. These gases were measured using a passive sampling technique from Jan. 2008 to Dec. 2009 at Dakar and from Jun. 2008 to Dec. 2009 at Bamako. In addition, during these periods there were two intensive measurement campaigns (from 19 Jan. to 2 Feb. 2009 at Bamako and from 30 Nov. to 13 Dec. 2009 at Dakar) where real-time active analysers were used to measure NO2 and SO2. Results show that Dakar has a pollution level for NO2 and SO2 higher than that of Bamako, whereas it is lower for NH3 concentrations. Monthly values of NO2 range between 21.1 and 43.5 ppb in Dakar with an annual mean concentration of 31.7 ppb (59.6 μg/m3). NO2 values in Bamako are 9.4-22.6 ppb with a mean of 16.2 ppb. At Dakar, the mean annual NO2 limit value (21.3 ppb or 40 μg/m3) recommended by the World Health Organization (WHO) is widely exceeded. The mean annual concentration of SO2 is 15.9 ppb in Dakar and 3.6 ppb in Bamako. These differences may be explained by different sources of traffic between Bamako (with mainly gasoline vehicles) and Dakar (with mainly diesel vehicles). The annual mean NH3 concentration is about two times higher in Bamako (46.7 ppb) than in Dakar (21.1 ppb). In addition to other possible sources, we assume that the ammonia from domestic fires and uncontrolled garbage incineration may have more influence at Bamako than at Dakar. The mean annual concentrations of HNO3 and O3 are 1.3 ppb and 7.7 ppb in Dakar and 0.6 ppb and 5.1 ppb in Bamako, respectively. Seasonal variation in measured gas concentrations are low in Bamako and more pronounced in Dakar, except for HNO3 and NH3. At Dakar, NO2 and SO2 daily mean concentrations are higher during the weekdays than on weekends, when urban activities are reduced, whereas at Bamako, no significant difference was observed

  11. Sources and Impacts of Atmospheric NH3: Current Understanding and Frontiers for Modeling, Measurements, and Remote Sensing in North America

    EPA Science Inventory

    Ammonia (NH3) contributes to widespread adverse health impacts, affects the climate forcing of ambient aerosols, and is a significant component of reactive nitrogen, deposition of which threatens many sensitive ecosystems. Historically, the scarcity of in situ measurements and th...

  12. Sources and Impacts of Atmospheric NH3: Current Understanding and Frontiers for Modeling, Measurements, and Remote Sensing in North America

    EPA Science Inventory

    Ammonia (NH3) contributes to widespread adverse health impacts, affects the climate forcing of ambient aerosols, and is a significant component of reactive nitrogen, deposition of which threatens many sensitive ecosystems. Historically, the scarcity of in situ measurements and th...

  13. Evaluating ammonia (NH3) predictions in the NOAA National Air Quality Forecast Capability (NAQFC) using in-situ aircraft and satellite measurements from the CalNex2010 campaign

    NASA Astrophysics Data System (ADS)

    Bray, Casey D.; Battye, William; Aneja, Viney P.; Tong, Daniel; Lee, Pius; Tang, Youhua; Nowak, John B.

    2017-08-01

    Atmospheric ammonia (NH3) is not only a major precursor gas for fine particulate matter (PM2.5), but it also negatively impacts the environment through eutrophication and acidification. As the need for agriculture, the largest contributing source of NH3, increases, NH3 emissions will also increase. Therefore, it is crucial to accurately predict ammonia concentrations. The objective of this study is to determine how well the U.S. National Oceanic and Atmospheric Administration (NOAA) National Air Quality Forecast Capability (NAQFC) system predicts ammonia concentrations using their Community Multiscale Air Quality (CMAQ) model (v4.6). Model predictions of atmospheric ammonia are compared against measurements taken during the NOAA California Nexus (CalNex) field campaign that took place between May and July of 2010. Additionally, the model predictions were also compared against ammonia measurements obtained from the Tropospheric Emission Spectrometer (TES) on the Aura satellite. The results of this study showed that the CMAQ model tended to under predict concentrations of NH3. When comparing the CMAQ model with the CalNex measurements, the model under predicted NH3 by a factor of 2.4 (NMB = -58%). However, the ratio of the median measured NH3 concentration to the median of the modeled NH3 concentration was 0.8. When compared with the TES measurements, the model under predicted concentrations of NH3 by a factor of 4.5 (NMB = -77%), with a ratio of the median retrieved NH3 concentration to the median of the modeled NH3 concentration of 3.1. Because the model was the least accurate over agricultural regions, it is likely that the major source of error lies within the agricultural emissions in the National Emissions Inventory. In addition to this, the lack of the use of bidirectional exchange of NH3 in the model could also contribute to the observed bias.

  14. On-road measurement of NH3 emissions from gasoline and diesel passenger cars during real world driving conditions

    NASA Astrophysics Data System (ADS)

    Suarez-Bertoa, Ricardo; Mendoza-Villafuerte, Pablo; Riccobono, Francesco; Vojtisek, Michal; Pechout, Martin; Perujo, Adolfo; Astorga, Covadonga

    2017-10-01

    NH3 is a precursor of PM2.5 which deteriorates urban air quality, affects human health and impacts the global radiation budget. Since vehicles are important sources of NH3 in urban areas, we have satisfactorily studied the possibility of measuring NH3 emissions from gasoline and SCR-equipped diesel light-duty vehicles during real driving on-road operation using a portable FTIR. The performance of the portable FTIR resulted to be comparable to that of a laboratory-based FTIR during a series of experiments performed in the Vehicle Emission Laboratory (VELA) using the World-harmonized Light-duty Test Cycle (WLTC). Higher on-road NH3 emission factors were obtained for the gasoline vehicle than for the diesel. High NOx emissions were measured from the diesel vehicle, indicating a low efficiency of the DeNOx system, SCR. On-road NH3 emission factors were ∼2 times lower than during the laboratory tests at 23 °C for both vehiclesNH3 emissions were not observed for the diesel vehicle during cold start operation. However, NH3 cold start emissions from the gasoline vehicle were up to 2 orders of magnitude higher than during the entire road trips, ranging from 45 to 134 mg km-1. Cold start emissions are of paramount importance as they commonly take place in urban areas. Hence, future urban reductions in PM2.5 might need to take into consideration the introduction of NH3 emissions limits for passenger cars.

  15. SEASONAL NH3 EMISSION ESTIMATES FOR THE EASTERN UNITED STATES BASED ON AMMONIUM WET CONCENTRATIONS AND AN INVERSE MODELING METHOD

    EPA Science Inventory

    Significant uncertainty exists in the magnitude and variability of ammonia (NH3) emissions. NH3 emissions are needed as input for air quality modeling of aerosols and deposition of nitrogen compounds. Approximately 85% of NH3 emissions are estimated to come from agricultural ...

  16. SEASONAL NH3 EMISSION ESTIMATES FOR THE EASTERN UNITED STATES BASED ON AMMONIUM WET CONCENTRATIONS AND AN INVERSE MODELING METHOD

    EPA Science Inventory

    Significant uncertainty exists in the magnitude and variability of ammonia (NH3) emissions. NH3 emissions are needed as input for air quality modeling of aerosols and deposition of nitrogen compounds. Approximately 85% of NH3 emissions are estimated to come from agricultural ...

  17. Evaluating ammonia (NH3) predictions in the NOAA National Air Quality Forecast Capability (NAQFC) using in situ aircraft, ground-level, and satellite measurements from the DISCOVER-AQ Colorado campaign

    NASA Astrophysics Data System (ADS)

    Battye, William H.; Bray, Casey D.; Aneja, Viney P.; Tong, Daniel; Lee, Pius; Tang, Youhua

    2016-09-01

    The U.S. National Oceanic and Atmospheric Administration (NOAA) is responsible for forecasting elevated levels of air pollution within the National Air Quality Forecast Capability (NAQFC). The current research uses measurements gathered in the DISCOVER-AQ Colorado field campaign and the concurrent Front Range Air Pollution and Photochemistry Experiment (FRAPPE) to test performance of the NAQFC CMAQ modeling framework for predicting NH3. The DISCOVER-AQ and FRAPPE field campaigns were carried out in July and August 2014 in Northeast Colorado. Model predictions are compared with measurements of NH3 gas concentrations and the NH4+ component of fine particulate matter concentrations measured directly by the aircraft in flight. We also compare CMAQ predictions with NH3 measurements from ground-based monitors within the DISCOVER-AQ Colorado geographic domain, and from the Tropospheric Emission Spectrometer (TES) on the Aura satellite. In situ aircraft measurements carried out in July and August of 2014 suggest that the NAQFC CMAQ model underestimated the NH3 concentration in Northeastern Colorado by a factor of ∼2.7 (NMB = -63%). Ground-level monitors also produced a similar result. Average satellite-retrieved NH3 levels also exceeded model predictions by a factor of 1.5-4.2 (NMB = -33 to -76%). The underestimation of NH3 was not accompanied by an underestimation of particulate NH4+, which is further controlled by factors including acid availability, removal rate, and gas-particle partition. The average measured concentration of NH4+ was close to the average predication (NMB = +18%). Seasonal patterns measured at an AMoN site in the region suggest that the underestimation of NH3 is not due to the seasonal allocation of emissions, but to the overall annual emissions estimate. The underestimation of NH3 varied across the study domain, with the largest differences occurring in a region of intensive agriculture near Greeley, Colorado, and in the vicinity of Denver. The

  18. Chemi-luminescence measurements of hyperthermal Xe+/Xe2+ + NH3 reactions

    NASA Astrophysics Data System (ADS)

    Prince, Benjamin D.; Steiner, Colby P.; Chiu, Yu-Hui

    2012-04-01

    Luminescence spectra are recorded for the reactions of Xe+ + NH3 and Xe2+ + NH3 at energies ranging from 11.5 to 206 eV in the center-of-mass (Ecm) frame. Intense features of the luminescence spectra are attributed to the NH (A 3Πi-X 3Σ-), hydrogen Balmer series, and Xe I emission observable for both primary ions. Evidence for charge transfer products is only found through Xe I emission for both primary ions and NH+ emission for Xe2+ primary ions. For both primary ions, the absolute NH (A-X) cross section increases with collision energy before leveling off at a constant value, approximately 9 × 10-18 cm2, at about 50 eV while H-α emission increases linearly with collision energy. The nascent NH (A) populations derived from the spectral analysis are found to be independent of collision energy and have a constant rotational temperature of 4200 K.

  19. Measurements and Modeling to Enhance Estimates of NH3 Total Deposition

    EPA Science Inventory

    Values for the total (wet + dry) deposition of ammonia are needed as input to nitrogen budget studies and ecological assessments. Concentrations of ammonia are measured at NADP’s Ammonia Monitoring Network (AMoN) sites. Research is focusing on the use of the concentration...

  20. Measurements of NO and NH3 soil fluxes at the Savé super site in Benin, West Africa, during the DACCIWA field campaign.

    NASA Astrophysics Data System (ADS)

    Pacifico, Federica; Delon, Claire; Jambert, Corinne; Durand, Pierre; Lohou, Fabienne; Reinares Martinez, Irene; Brilouet, Pierre-Etienne; Brosse, Fabien; Pedruzo Bagazgoitia, Xabier; Dione, Cheikh; Gabella, Omar

    2017-04-01

    In the next decades South West Africa will be subject to a strong increase in anthropogenic emissions due to a massive growth in population and urbanization. The impact of global climate change, local or regional land use changes, and the strong sensitivity to the West African monsoon lead to complex interactions between surface emissions and atmospheric dynamics and chemistry. Anthropogenic pollutants are transported northward from the mega cities located on the coast, and react with biogenic emissions, leading to enhanced ozone (O3) production outside urban areas, as well as secondary organic aerosols formation, with detrimental effects on humans, animals, natural vegetation and crops. Nitrogen oxide (NO) emissions from soils, among other sources, directly influence NOx concentrations. Changes in NO sources will consequently modify the rate of O3 production. The largest source of ammonia (NH3) emissions is agriculture, via the application of synthetic fertilizer. When released into the atmosphere, NH3 increases the level of air pollution. Once deposited in water and soils, it can potentially cause two major types of environmental damage, acidification and eutrophication, both of which can harm sensitive vegetation systems, biodiversity and water quality. We investigate the role of soil fluxes of NO and NH3 on atmospheric chemistry in West Africa, making use of the observations taken in June and July 2016 at the Savé super-site, Benin (8°02'03" N, 2°29'11″ E), during the Dynamics-Aerosol-Chemistry-Cloud Interactions in West Africa (DACCIWA) field campaign, which took place in June-July 2016. These observations also include meteorological and soil parameters such as air temperature and humidity (at 2 m height), radiation, soil temperature and moisture at different depths (5 cm and 10 cm). The climate in Savé is typical of a wet Guinea savanna, and the wet season takes place from June to October. Soil fluxes of NO and NH3 were measured on: bare soil, grassland

  1. Ft-Ir Measurements of NH_3 Line Intensities in the 60 - 550 CM-1 Using Soleil/ailes Beamline

    NASA Astrophysics Data System (ADS)

    Sung, Keeyoon; Yu, Shanshan; Pearson, John; Manceron, Laurent; Kwabia Tchana, F.; Pirali, Olivier

    2015-06-01

    Ammonia (NH_3) has been found ubiquitous, e.g., in the interstellar medium, low-mass stars, Jovian planets of our solar system, and possibly in the low temperature exoplanets. Their spectroscopic line parameters are essential in the accurate interpretation of the planetary and astrophysical spectra observed with Herschel, SOFIA, ALMA, and JWST. In our previous paper, the NH_3 line positions in the far-IR region were studied for the ground state and ν_2 in an unprecedented accuracy, which revealed significant deficiencies in the NH_3 intensities, for instance, some weak ΔK = 3 lines were predicted to be ~100 times stronger. Measurement of line intensity for these lines in a consistent manner is demanded because the ΔK = 3 forbidden lines are only way other than collisions and l-doubled states to excite NH_3 to K > 0 levels. Recalling that NH_3 transition lines in the high J and K up to 18 were detected toward the galactic center in the star forming region of Sgr B_2, their accurate intensity measurements are critical in explaining the observed high K excitation, which will provide insights into radiative-transfer vs.levels. The interaction between a large amplitude torsional motion and the hyperfine coupling may also lead to a less known hyperfine effect, the so-called magnetic spin-torsion coupling, which was first studied by Heuvel and Dymanus and which has not yet been conclusively evidenced. In this talk, the magnetic hyperfine structure of the non-rigid methanol molecule will be investigated experimentally and theoretically. 13 hyperfine patterns were recorded using two molecular beam microwave spectrometers. These patterns, along with previously recorded ones,^c were analyzed in an attempt to evidence the effects of the magnetic spin-torsion coupling. The theoretical approach setup to analyze the observed data accounts for the spin-torsion coupling, in addition to the familiar magnetic spin-rotation and spin-spin couplings, and relies on symmetry

  2. Effects of pollutant concentration ratio on the simultaneous removal of NH3, H2S and toluene gases using rock wool-compost biofilter.

    PubMed

    Galera, Melvin Maaliw; Cho, Eulsaeng; Tuuguu, Enkhdul; Park, Shin-Jung; Lee, Changhee; Chung, Wook-Jin

    2008-04-01

    The biological treatment of a tri-component mixed waste gas system in BRC1 and BRC2 biofilters packed with rock wool-compost media was studied. The model gases were NH(3), H(2)S and toluene. The gases were fed initially at about 50-55 ppm each. H(2)S was found to have the shortest start-up while toluene had the longest. Under two different NH(3):H(2)S:toluene concentration ratios of 250:120:55 and 120:220:55 (in ppm) for BRC1 and BRC2, the removal efficiencies of NH(3), H(2)S and toluene were found to be affected by their respective loading rate. On the other hand, toluene removal was observed to be inhibited at H(2)S concentration of 220 ppm as well. Almost complete removal of NH(3) and H(2)S was achieved when loading rate was applied up to 16.14 g-NH(3)/(m(3) bed h) and 36.09 g-H(2)S/(m(3) bed h), respectively. The maximum elimination capacity for NH(3) was determined to be 23.67 g-NH(3)/(m(3) bed h) at 78.6% removal efficiency and for H(2)S, 38.50 g-H(2)S/(m(3) bed h) at 68.1% removal efficiency. The maximum toluene elimination capacity was 30.75 g-toluene/(m(3) bed h) at 87.9% removal efficiency when the concentration of NH(3):H(2)S:toluene was 250:120:55 in BRC1, and was 16.60 g-toluene/(m(3) bed h) at 45.5% removal efficiency when the concentration of NH(3):H(2)S:toluene was 120:220:55 in BRC2. The pressure drops along both columns were low and the ratio of bed compactions over biofilter height was observed to be less than 0.02.

  3. The reaction NH2 + PH3 yields NH3 + PH2 - Absolute rate constant measurement and implication for NH3 and PH3 photochemistry in the atmosphere of Jupiter

    NASA Technical Reports Server (NTRS)

    Bosco, S. R.; Brobst, W. D.; Nava, D. F.; Stief, L. J.

    1983-01-01

    The rate constant is measured over the temperature interval 218-456 K using the technique of flash photolysis-laser-induced fluorescence. NH2 radicals are produced by the flash photolysis of ammonia highly diluted in argon, and the decay of fluorescent NH2 photons is measured by multiscaling techniques. For each of the five temperatures employed in the study, the results are shown to be indepenent of variations in PH3 concentration, total pressure (argon), and flash intensity. It is found that the rate constant results are best represented for T between 218 and 456 K by the expression k = (1.52 + or - 0.16) x 10 to the -12th exp(-928 + or - 56/T) cu cm per molecule per sec; the error quoted is 1 standard deviation. This is the first determination of the rate constant for the reaction NH2 + PH3. The data are compared with an estimate made in order to explain results of the radiolysis of NH3-PH3 mixtures. The Arrhenius parameters determined here for NH2 + PH3 are then contrasted with those for the corresponding reactions of H and OH with PH3.

  4. The reaction NH2 + PH3 yields NH3 + PH2 - Absolute rate constant measurement and implication for NH3 and PH3 photochemistry in the atmosphere of Jupiter

    NASA Technical Reports Server (NTRS)

    Bosco, S. R.; Brobst, W. D.; Nava, D. F.; Stief, L. J.

    1983-01-01

    The rate constant is measured over the temperature interval 218-456 K using the technique of flash photolysis-laser-induced fluorescence. NH2 radicals are produced by the flash photolysis of ammonia highly diluted in argon, and the decay of fluorescent NH2 photons is measured by multiscaling techniques. For each of the five temperatures employed in the study, the results are shown to be indepenent of variations in PH3 concentration, total pressure (argon), and flash intensity. It is found that the rate constant results are best represented for T between 218 and 456 K by the expression k = (1.52 + or - 0.16) x 10 to the -12th exp(-928 + or - 56/T) cu cm per molecule per sec; the error quoted is 1 standard deviation. This is the first determination of the rate constant for the reaction NH2 + PH3. The data are compared with an estimate made in order to explain results of the radiolysis of NH3-PH3 mixtures. The Arrhenius parameters determined here for NH2 + PH3 are then contrasted with those for the corresponding reactions of H and OH with PH3.

  5. The reaction NH2 + PH3 yields NH3 + PH2: Absolute rate constant measurement and implication for NH3 and PH3 photochemistry in the atmosphere of Jupiter

    NASA Technical Reports Server (NTRS)

    Bosco, S. R.; Brobst, W. D.; Nava, D. F.; Stief, L. J.

    1983-01-01

    The rate constant is measured over the temperature interval 218-456 K using the technique of flash photolysis-laser-induced fluorescence. NH2 radicals are produced by the flash photolysis of ammonia highly diluted in argon, and the decay of fluorescent NH2 photons is measured by multiscaling techniques. For each of the five temperatures employed in the study, the results are shown to be independent of variations in PH3 concentration, total pressure (argon), and flash intensity. It is found that the rate constant results are best represented for T between 218 and 456 K by the expression k = (1.52 + or - 0.16) x 10 to the -12th exp(-928 + or - 56/T) cu cm per molecule per sec; the error quoted is 1 standard deviation. This is the first determination of the rate constant for the reaction NH2 + PH3. The data are compared with an estimate made in order to explain results of the radiolysis of NH3-PH3 mixtures. The Arrhenius parameters determined here for NH2 + PH3 are then constrasted with those for the corresponding reactions of H and OH with PH3.

  6. Mobile Column Measurements of HCHO, NO2, NH3, and C2H6 in Colorado during FRAPPE

    NASA Astrophysics Data System (ADS)

    Kille, N.; Volkamer, R. M.; Baidar, S.; Ortega, I.; Sinreich, R.; Hannigan, J. W.; Cooper, O. R.; Nussbaumer, E.; Pfister, G.

    2015-12-01

    Gases from anthropogenic sources have the potential to have a profound impact on air quality. Emissions from large cattle feedlots and ONG (Oil and Natural Gas) sites are comprised of NH3 (ammonia) and C2H6 (ethane) as pollutants. C2H6 contributes to photochemical ozone (O3) production and oxidation production of HCHO (formaldehyde). NH3 is a major source for reactive nitrogen to form particulate matter 2.5, which negatively affects human health. NO2 (nitrogen dioxide), emitted during combustion, is considered a large-scale pollutant and contributes to the formation of O3. Deploying an innovative suite of remote sensing instruments in a mobile laboratory, a Multi Axis Differential Optical Absorption Spectrometer (MAX-DOAS), a UV-Vis Spectrometer, and a Fourier Transform Infrared Spectrometer, we obtain mobile column measurements at high spatial and temporal resolution, 2 seconds for the UV-Vis and IR spectrometers and 20 seconds for the MAX-DOAS. Within the scope of the Front Range Air Pollution and Photochemistry Experiment (FRAPPE) we measure total columns of HCHO, NO2, NH3, and C2H6 using the University of Colorado mobile laboratory. Emissions of urban areas, agriculture, and ONG sites were studied. For the measurement of total columns the solar occultation flux method has been applied. We measured significant variability in the columns. The measurement of total columns allows one to determine the emission flux and source strength when driving a closed box around or upwind and downwind of a source with the mobile laboratory. We present results from select research drives.

  7. Measurements of Line Positions and Intensities of 14NH_3 in the 1.5 μm Region

    NASA Astrophysics Data System (ADS)

    Sung, Keeyoon; Brown, Linda R.; Huang, Xinchuan; Schwenke, David W.; Lee, Timothy J.

    2011-06-01

    In the atmosphere of outer planets, low mass brown dwarfs, and possibly extrasolar planets, ammonia (NH_3) is one of the major opacity sources particularly in the 1.5 μm region (the H-band). However, the spectroscopic information of NH_3 in the region is completely missing in the HITRAN database. NH_3 has four infrared active fundamental modes, with the well-known inversion doubling for {ν_2} band, in addition to the usual vibrational degeneracies. Its strong bands, {ν_1}, {ν_3} and 2{ν_4}, dominate the spectrum at 3 μm, while their corresponding overtone and combination bands (e.g., 2{ν_1}, 2{ν_3}, {ν_1}+{ν_3}, {ν_1}+2{ν_4} and {ν_3}+2{ν_4}) are prominent in the 1.5 μm region. As part of an effort to provide a complete set of NH_3 spectroscopic information in the 1.5 μm region, we are analyzing the laboratory spectra recorded at various temperatures (200 - 299 K) with the McMath-Pierce Fourier transform spectrometer (FTS) on Kitt Peak Observatory in Arizona. Line positions and strengths have been measured from the laboratory spectra, from which lower state energies and quantum assignments are being determined by adopting intensity ratios at two different temperatures and combination differnces. A theoretical IR linelist built upon the recent HSL-2 potential energy surface (nonadiabatic corrections included) is complementarily used for the quantum assignments. Preliminary results are presented for {ν_1}+{ν_3}, 2{ν_3}, {ν_1}+2{ν_4} and {ν_3}+{2ν_4} bands and compared with those from early work available. X. Huang, D.W. Schwenke, and T.J. Lee J. Chem. Phys. 134, (2011) 044320/044321 The research described in this paper was performed at the Jet Propulsion Laboratory, California Institute of Technology and the Ames Research Center under contracts with National Aeronautics and Space Administration.

  8. Mobile mapping and eddy covariance flux measurements of NH3 emissions from cattle feedlots with a portable laser-based open-path sensor

    NASA Astrophysics Data System (ADS)

    Tao, L.; Sun, K.; Pan, D.; Golston, L.; Stanton, L. G.; Ham, J. M.; Shonkwiler, K. B.; Nash, C.; Zondlo, M. A.

    2014-12-01

    Ammonia (NH3) is the dominant alkaline species in the atmosphere and an important compound in the global nitrogen cycle. There is a large uncertainty in NH3 emission inventory from agriculture, which is the largest source of NH3, including livestock farming and fertilizer applications. In recent years, a quantum cascade laser (QCL)-based open-path sensor has been developed to provide high-resolution, fast-response and high-sensitivity NH3 measurements. It has a detection limit of 150 pptv with a sample rate up to 20 Hz. This sensor has been integrated into a mobile platform mounted on the roof of a car to perform measurement of multiple trace gases. We have also used the sensor for eddy covariance (EC) flux measurements. The mobile sensing method provides high spatial resolution and fast mapping of measured gases. Meanwhile, the EC flux method offers accurate flux measurements and resolves the diurnal variability of NH3emissions. During the DISCOVER-AQ and FRAPPÉ field campaigns in 2014, this mobile platform was used to study NH3 emissions from cattle feedlot near Fort Morgan, Colorado. This specific feedlot was mapped multiple times in different days to study the variability of its plume characteristics. At the same time, we set up another open-path NH3 sensor with LICOR open-path sensors to perform EC flux measurements of NH3, CH4 and CO2 simultaneously in the same cattle feedlot as shown in Fig. 1. NH3/CH4 emission flux ratio show a strong temperature dependence from EC flux measurements. The median value of measured NH3 and CH4 emission flux ratio is 0.60 ppmv/ppmv. In contrast, the median value of ΔNH3/ΔCH4 ratios measured from mobile platform is 0.53 ppmv/ppmv for the same farm. The combination of mobile mapping and EC flux measurements with the same open-path sensors greatly improves understanding of NH3 emissions both spatially and temporally.

  9. Picosecond mass-selective measurements of phenol-(NH3)n acid-base chemistry in clusters

    NASA Astrophysics Data System (ADS)

    Steadman, Jhobe; Syage, Jack A.

    1990-04-01

    The rate of proton transfer from the acidic S1 state of phenol to the basis solvent (NH3)n was measured as a function of solvent cluster size n. A distinct reaction threshold was observed for solvent size n=5 for 266 nm picosecond excitation. The proton transfer rate was measured to be ka=(60±10 ps)-1 for n=5-7. A competitive recombination rate of k-a =(350±100 ps)-1 occurs for n=5. Additional solvation stabilizes the product side causing the reaction enthalpy and consequently k-a to decrease. No evidence of proton transfer was observed when phenol was seeded in the less basic solvent clusters (CH3OH)n and (H2O)n.

  10. Shock temperature measurements of planetary ices - NH3, CH4, and 'synthetic Uranus'

    NASA Technical Reports Server (NTRS)

    Radousky, H. B.; Mitchell, A. C.; Nellis, W. J.

    1990-01-01

    Shock temperature measurements have been performed on several materials which have relevance to the modeling of the outer planets. These materials are methane, ammonia and a mixture of water, ammonia, and isopropanol known as synthetic Uranus. Temperatures have been measured in these materials over the pressure range 33-76 GPa for which there also exists measurements of equation of state and electrical conductivity. The temperatures are found to agree well with available calculations, with small discrepancies between data and theory ascribed to energy absorbing processes such as dissociation and molecular ionization.

  11. Shock temperature measurements of planetary ices - NH3, CH4, and 'synthetic Uranus'

    NASA Astrophysics Data System (ADS)

    Radousky, H. B.; Mitchell, A. C.; Nellis, W. J.

    1990-12-01

    Shock temperature measurements have been performed on several materials which have relevance to the modeling of the outer planets. These materials are methane, ammonia and a mixture of water, ammonia, and isopropanol known as synthetic Uranus. Temperatures have been measured in these materials over the pressure range 33-76 GPa for which there also exists measurements of equation of state and electrical conductivity. The temperatures are found to agree well with available calculations, with small discrepancies between data and theory ascribed to energy absorbing processes such as dissociation and molecular ionization.

  12. Chlorine Incorporation in the CH3NH3PbI3 Perovskite: Small Concentration, Big Effect.

    PubMed

    Quarti, Claudio; Mosconi, Edoardo; Umari, Paolo; De Angelis, Filippo

    2017-01-03

    The role of chlorine doping in CH3NH3PbI3 represents an important open issue in the use of hybrid perovskites for photovoltaic applications. In particular, even if a positive role of chlorine doping on perovskite film formation and on material morphology has been demonstrated, an inherent positive effect on the electronic and photovoltaic properties cannot be excluded. Here we carried out periodic density functional theory and Car-Parrinello molecular dynamics simulations, going down to ∼1% doping, to investigate the effect of chlorine on CH3NH3PbI3. We found that such a small doping has important effects on the dynamics of the crystalline structure, both with respect to the inorganic framework and with respect to the cation libration motion. Together, we observe a dynamic spatial localization of the valence and conduction states in separated spatial material regions, which takes place in the 10(-1) ps time scale and which could be the key to ease of exciton dissociation and, likely, to small charge recombination in hybrid perovskites. Moreover, such localization is enhanced by chlorine doping, demonstrating an inherent positive role of chlorine doping on the electronic properties of this class of materials.

  13. A Unique and Simple Approach to Improve Sensitivity in 15N-NMR Relaxation Measurements for NH3+ Groups: Application to a Protein-DNA Complex

    PubMed Central

    Nguyen, Dan; Lokesh, Ganesh L.R.; Volk, David E.; Iwahara, Junji

    2017-01-01

    NMR spectroscopy is a powerful tool for research on protein dynamics. In the past decade, there has been significant progress in the development of NMR methods for studying charged side chains. In particular, NMR methods for lysine side-chain NH3+ groups have been proven to be powerful for investigating the dynamics of hydrogen bonds or ion pairs that play important roles in biological processes. However, relatively low sensitivity has been a major practical issue in NMR experiments on NH3+ groups. In this paper, we present a unique and simple approach to improve sensitivity in 15N relaxation measurements for NH3+ groups. In this approach, the efficiency of coherence transfers for the desired components are maximized, whereas undesired anti-phase or multi-spin order components are purged through pulse schemes and rapid relaxation. For lysine side-chain NH3+ groups of a protein-DNA complex, we compared the data obtained with the previous and new pulse sequences under the same conditions and confirmed that the 15N relaxation parameters were consistent for these datasets. While retaining accuracy in measuring 15N relaxation, our new pulse sequences for NH3+ groups allowed an 82% increase in detection sensitivity of 15N longitudinal and transverse relaxation measurements. PMID:28809801

  14. Calibrated Passive Sampling--Multi-plot Field Measurements of NH3 Emissions with a Combination of Dynamic Tube Method and Passive Samplers.

    PubMed

    Pacholski, Andreas

    2016-03-21

    Agricultural ammonia (NH3) emissions (90% of total EU emissions) are responsible for about 45% airborne eutrophication, 31% soil acidification and 12% fine dust formation within the EU15. But NH3 emissions also mean a considerable loss of nutrients. Many studies on NH3 emission from organic and mineral fertilizer application have been performed in recent decades. Nevertheless, research related to NH3 emissions after application fertilizers is still limited in particular with respect to relationships to emissions, fertilizer type, site conditions and crop growth. Due to the variable response of crops to treatments, effects can only be validated in experimental designs including field replication for statistical testing. The dominating ammonia loss methods yielding quantitative emissions require large field areas, expensive equipment or current supply, which restricts their application in replicated field trials. This protocol describes a new methodology for the measurement of NH3 emissions on many plots linking a simple semi-quantitative measuring method used in all plots, with a quantitative method by simultaneous measurements using both methods on selected plots. As a semi-quantitative measurement method passive samplers are used. The second method is a dynamic chamber method (Dynamic Tube Method) to obtain a transfer quotient, which converts the semi-quantitative losses of the passive sampler to quantitative losses (kg nitrogen ha(-1)). The principle underlying this approach is that passive samplers placed in a homogeneous experimental field have the same NH3 absorption behavior under identical environmental conditions. Therefore, a transfer co-efficient obtained from single passive samplers can be used to scale the values of all passive samplers used in the same field trial. The method proved valid under a wide range of experimental conditions and is recommended to be used under conditions with bare soil or small canopies (<0.3 m). Results obtained from

  15. Measurements of gaseous HONO, HNO 3, SO 2, HCl, NH 3, particulate sulfate and PM 2.5 in New York, NY

    NASA Astrophysics Data System (ADS)

    Bari, Abdul; Ferraro, Vincent; Wilson, Lloyd R.; Luttinger, Dan; Husain, Liaquat

    Simultaneous measurements of gaseous HONO, HNO 3, HCl, SO 2, and NH 3 for a period of 1 year from July 1999 to June 2000 and fine-fraction particulate (<2.5 μm) sulfate (SO 42-) from January 1999 to November 2000 were made at Bronx and Manhattan in New York City with an annular denuder system followed by ion chromatography. The hourly PM 2.5 mass was measured with a Rupprecht and Patashnick TEOM Series 1400a real-time monitor for approximately 2 years (January 1999-November 2000) at the same sites. Concentrations at the two sites were highly correlated, with Manhattan being slightly higher than at the Bronx. The concentrations of HNO 3, HCl, NH 3 and SO 42- were higher during summer than winter, the summer/winter ratios at Manhattan being 3.9, 3.1, 1.5, and 1.9, respectively. The concentrations of HONO and SO 2 were lower during summer than winter, the summer/winter ratios at Manhattan being 0.48 and 0.44, respectively. Gaseous HONO concentrations were higher than that of HNO 3 except in summer, when the HNO 3 was higher. The annual mean concentration of PM 2.5 was 15.2 μg/m 3 at the Bronx, and 15.5 μg/m 3 at Manhattan (based only on days when data were available from both sites). The monthly mean concentrations at Manhattan ranged from 13.2 to 21.7 μg/m 3 and were highest in June and July 1999, and lowest in March and April. The monthly mean fraction of PM 2.5 as SO 42- ranged from 0.17 to 0.31, with the highest values observed during June-September. The hourly mean concentrations of PM 2.5 showed a bimodal pattern, with peaks at around 7-8 AM and 8-9 PM. In general, the second maximum is lower than the morning one, but during summer this is reversed. The contributions from regional and local emissions and the influence of atmospheric transport and chemical reactions on the observed concentrations are discussed in a compendium paper.

  16. Rapid Ammonia Deposition Measured Near Concentrated Animal Feeding Operations

    NASA Astrophysics Data System (ADS)

    Stanton, L. G.; Pan, D.; Sun, K.; Golston, L.; Tao, L.; Zondlo, M. A.

    2014-12-01

    Concentrated animal feeding operations (CAFOs) emit massive amounts of ammonia (NH3) to the atmosphere. Current measurements of NH3 are generally conducted far away from the sources (satellites, airplanes, etc.). There is insufficient knowledge about the dry deposition rate of NH3 near the sources, which might contribute to the large discrepancies between measured concentrations at CAFOs and those from models. During the 2014 NASA DISCOVER-AQ campaign, we designed a series of tests to measure the deposition rate of NH3 by utilizing a suite of sensors, including a LICOR LI-7700 methane sensor and Princeton University's custom open path NH3 sensor, which was mounted on top of a small SUV. Our mobile sampling technique enables us to follow feedlot emission plumes to see how ambient NH3 concentration decays as gases moves away from the CAFO. The mobile platform is used to perform upwind and downwind sampling to characterize the NH3 emission source. We tracked the change of the enhancement of NH3 concentration relative to the enhancement of CH4 concentrationNH3:ΔCH4), while transecting the plume of individual cattle feedlots. Measured data shows that the high concentration of NH3 seen at the source decreases quickly as one moves further downwind from it. A time constant of approximately ten minutes has been calculated from the decay of the ΔNH3:ΔCH4 ratios while moving away from the sources. We also will compare our measurements with those of NASA's P-3B aerosol measurements to show that the majority must be lost to dry deposition. This rapid deposition suggests that large amounts of NH3 are being deposited in very close proximity to these CAFOs, which is consistent with previous findings of locally high soil pH near NH3 sources. Our results will be used to better characterize nitrogen deposition from cattle feedlots and estimate NH3 lifetime.

  17. High sensitivity measurement of NO, NO2 and NH3 using MIR-QCL and time division multiplexing WMS technology

    NASA Astrophysics Data System (ADS)

    Chen, Xiang; Yang, Chenguang; Hu, Mai; Xu, Zhenyu; Fan, Xueli; Wei, Min; Yao, Lu; He, Yabai; Kan, Ruifeng

    2016-10-01

    A compact system based on mid-infrared quantum cascade laser (QCL) operated in room temperature was developed for the simultaneous monitoring of NO, NO2 and NH3 in the air. Laser beams of three QCLs with central wavelength located at 1900 cm-1, 1600 cm-1, 1103.4 cm-1 were coupled to pass through the 60m long gas cell together. With the technology of time division multiplexing, wavelength modulation spectroscopy (WMS) signals of three lasers can be detected at adjacent scan process. The real-time second harmonic analysis was implemented to achieve simultaneous detection of NO, NO2 and NH3. A minimum detection limit (MDL) of 0.2ppb for NO, 0.12ppb for NO2 and 0.1ppb for NH3 with an optimum integration time around 100 seconds can be achieved for this setup. An ambient monitoring of three gasses during 5 hours was performed to inspect the local air quality.

  18. DIAL with heterodyne detection including speckle noise: Aircraft/shuttle measurements of O3, H2O, and NH3 with pulsed tunable CO2 lasers

    NASA Technical Reports Server (NTRS)

    Brockman, P.; Hess, R. V.; Staton, L. D.; Bair, C. H.

    1980-01-01

    Atmospheric trace constituent measurements with higher vertical resolution than attainable with passive radiometers are discussed. Infrared differential absorption lidar (DIAL), which depends on Mie scattering from aerosols, has special advantages for tropospheric and lower stratospheric applications and has great potential importance for measurements from shuttle and aircraft. Differential absorption lidar data reduction involves comparing large amplitude signals which have small differences. The accuracy of the trace constituent concentration inferred from DIAL measurements depends strongly on the errors in determining the amplitude of the signals. Thus, the commonly used SNR expression (signal divided by noise in the absence of signal) is not adequate to describe DIAL measurement accuracy and must be replaced by an expression which includes the random coherent (speckle) noise within the signal. A comprehensive DIAL computer algorithm is modified to include heterodyne detection and speckle noise. Examples for monitoring vertical distributions of O3, H2O, and NH3 using a ground-, aircraft-, or shuttle-based pulsed tunable CO2 laser DIAL system are given.

  19. EMRP JRP MetNH3: Towards a Consistent Metrological Infrastructure for Ammonia Measurements in Ambient Air

    NASA Astrophysics Data System (ADS)

    Leuenberger, Daiana; Balslev-Harder, David; Braban, Christine F.; Ebert, Volker; Ferracci, Valerio; Gieseking, Bjoern; Hieta, Tuomas; Martin, Nicholas A.; Pascale, Céline; Pogány, Andrea; Tiebe, Carlo; Twigg, Marsailidh M.; Vaittinen, Olavi; van Wijk, Janneke; Wirtz, Klaus; Niederhauser, Bernhard

    2016-04-01

    Measuring ammonia in ambient air is a sensitive and priority issue due to its harmful effects on human health and ecosystems. In addition to its acidifying effect on natural waters and soils and to the additional nitrogen input to ecosystems, ammonia is an important precursor for secondary aerosol formation in the atmosphere. The European Directive 2001/81/EC on "National Emission Ceilings for Certain Atmospheric Pollutants (NEC)" regulates ammonia emissions in the member states. However, there is a lack of regulation regarding certified reference material (CRM), applicable analytical methods, measurement uncertainty, quality assurance and quality control (QC/QA) procedures as well as in the infrastructure to attain metrological traceability. As shown in a key comparison in 2007, there are even discrepancies between reference materials provided by European National Metrology Institutes (NMIs) at amount fraction levels up to three orders of magnitude higher than ambient air levels. MetNH3 (Metrology for ammonia in ambient air), a three-year project that started in June 2014 in the framework of the European Metrology Research Programme (EMRP), aims to reduce the gap between requirements set by the European emission regulations and state-of-the-art of analytical methods and reference materials. The overarching objective of the JRP is to achieve metrological traceability for ammonia measurements in ambient air from primary certified reference material CRM and instrumental standards to the field level. This requires the successful completion of the three main goals, which have been assigned to three technical work packages: To develop improved reference gas mixtures by static and dynamic gravimetric generation methods Realisation and characterisation of traceable preparative calibration standards (in pressurised cylinders as well as mobile generators) of ammonia amount fractions similar to those in ambient air based on existing methods for other reactive analytes. The

  20. Charge Injection Mechanism at Heterointerfaces in CH3NH3PbI3 Perovskite Solar Cells Revealed by Simultaneous Time-Resolved Photoluminescence and Photocurrent Measurements.

    PubMed

    Handa, Taketo; Tex, David M; Shimazaki, Ai; Wakamiya, Atsushi; Kanemitsu, Yoshihiko

    2017-03-02

    Organic-inorganic hybrid perovskite solar cells are attracting much attention due to their excellent photovoltaic properties. In these multilayered structures, the device performance is determined by complicated carrier dynamics. Here, we studied photocarrier recombination and injection dynamics in CH3NH3PbI3 perovskite solar cells using time-resolved photoluminescence (PL) and photocurrent (PC) measurements. It is found that a peculiar slowdown in the PL decay time constants of the perovskite layer occurs for higher excitation powers, followed by a decrease of the external quantum efficiency for PC. This indicates that a carrier-injection bottleneck exists at the heterojunction interfaces, which limits the photovoltaic performance of the device in concentrator applications. We conclude that the carrier-injection rate is sensitive to the photogenerated carrier density, and the carrier-injection bottleneck strongly enhances recombination losses of photocarriers in the perovskite layer at high excitation conditions. The physical origin of the bottleneck is discussed based on the result of numerical simulations.

  1. Effects of precursor concentration and annealing temperature on CH3NH3PbI3 film crystallization and photovoltaic performance

    NASA Astrophysics Data System (ADS)

    Zheng, Yan-Zhen; Lai, Xue-Sen; Luo, Yi; Zhao, Er-Fei; Meng, Fan-Li; Zhang, Xiang-Feng; Tao, Xia

    2017-08-01

    The ability to prepare homogeneous and highly crystalline planar perovskite films via the precise manipulation of a one-step solution-based crystallization process is still a key issue that hinders improvements to the ultimate photoelectric conversion efficiency (PCE) of devices. In this study, we prepared a series of planar CH3NH3PbI3 films using a chlorobenzene-assisted fast perovskite crystallization process with various precursor concentrations ranging from 30 to 50 wt% and subsequent annealing at 50-90 °C in order to investigate the effects of the precursor concentration and annealing temperature on crystallization and the photovoltaic performance. By precisely controlling the precursor concentration and annealing temperature, we obtained a homogeneous and highly crystalline planar perovskite film with high coverage under the optimized conditions (ca. 40 wt% and 70 °C), which led to sufficient light absorption and inhibited charge recombination, thereby yielding an enhanced PCE of 16.21%. Furthermore, the unsealed cell still retained a PCE of 10.98% after ambient air exposure for a period of 408 h.

  2. Elevated CO2 decreases the Photorespiratory NH3 production but does not decrease the NH3 compensation point in rice leaves.

    PubMed

    Miyazawa, Shin-Ichi; Hayashi, Kentaro; Nakamura, Hirofumi; Hasegawa, Toshihiro; Miyao, Mitsue

    2014-09-01

    The exchange of gaseous NH3 between the atmosphere and plants plays a pivotal role in controlling the global NH3 cycle. Photorespiration generates NH3 through oxygenation instead of carboxylation by the CO2-fixing enzyme, ribulose-1,5-bisphosphate carboxylase/oxygenase (RuBisCO). The future increase in the atmospheric CO2 concentration, [CO2], is expected to reduce plant NH3 production by suppressing RuBisCO oxygenation (Vo). We measured the net leaf NH3 uptake rate (FNH3) across NH3 concentrations in the air (na) ranging from 0.2 to 1.6 nmol mol(-1) at three [CO2] values (190, 360 and 750 µmol mol(-1)) using rice plants. We analyzed leaf NH3 gas exchange using a custom-made whole-leaf chamber system, and determined the NH3 compensation point (γ), a measure of potential NH3 emission, as the x-intercept of the linear relationship of FNH3 as a function of na. Our γ values were lower than those reported for other plant species. γ did not decrease under elevated [CO2], although leaf NH4 (+) content decreased with decreasing Vo at higher [CO2]. This was also the case for γ estimated from the pH and NH4 (+) concentration of the leaf apoplast solution (γ'). γ' of rice plants, grown at elevated [CO2] for months in a free-air CO2 enrichment facility, was also not decreased by elevated [CO2]. These results suggest that suppression of RuBisCO oxygenation by elevated [CO2] does not decrease potential leaf NH3 emission in rice plants.

  3. Urban NH3 levels and sources in six major Spanish cities.

    PubMed

    Reche, Cristina; Viana, Mar; Karanasiou, Angeliki; Cusack, Michael; Alastuey, Andrés; Artiñano, Begoña; Revuelta, M Aranzazu; López-Mahía, Purificación; Blanco-Heras, Gustavo; Rodríguez, Sergio; Sánchez de la Campa, Ana M; Fernández-Camacho, Rocío; González-Castanedo, Yolanda; Mantilla, Enrique; Tang, Y Sim; Querol, Xavier

    2015-01-01

    A detailed spatial and temporal assessment of urban NH3 levels and potential emission sources was made with passive samplers in six major Spanish cities (Barcelona, Madrid, A Coruña, Huelva, Santa Cruz de Tenerife and Valencia). Measurements were conducted during two different periods (winter-autumn and spring-summer) in each city. Barcelona showed the clearest spatial pattern, with the highest concentrations in the old city centre, an area characterised by a high population density and a dense urban architecture. The variability in NH3 concentrations did not follow a common seasonal pattern across the different cities. The relationship of urban NH3 with SO2 and NOX allowed concluding on the causes responsible for the variations in NH3 levels between measurement periods observed in Barcelona, Huelva and Madrid. However, the factors governing the variations in A Coruña, Valencia and Santa Cruz de Tenerife are still not fully understood. This study identified a broad variability in NH3 concentrations at the city-scale, and it confirms that NH3 sources in Spanish urban environments are vehicular traffic, biological sources (e.g. garbage containers), wastewater treatment plants, solid waste treatment plants and industry. The importance of NH3 monitoring in urban environments relies on its role as a precursor of secondary inorganic species and therefore PMX. Further research should be addressed in order to establish criteria to develop and implement mitigation strategies for cities, and to include urban NH3 sources in the emission inventories.

  4. Effect of pretreatment and membrane orientation on fluxes for concentration of whey with high foulants by using NH3/CO2 in forward osmosis.

    PubMed

    Seker, M; Buyuksari, E; Topcu, S; Babaoglu, D S; Celebi, D; Keskinler, B; Aydiner, C

    2017-11-01

    Usage of forward osmosis membrane in FO mode, in which active and support layers of the membrane were in contact with the feed and the draw solutions respectively, provided higher initial water flux (12L/m(2)h) than the usage of membrane in PRO mode (6L/m(2)h) having opposite orientation but fluxes approached to each other after 4h during concentration of whey with NH3/CO2 as draw salt. High organic and inorganic foulants of whey was considered as reason for observed result in addition to lower solute resistivity. Initial water flux (8,5L/m(2)h) was lower when pre-treatment was applied before forward osmosis process but final flux (4L/m(2)h) was equal flux of non pre-treatment. Reduction of solute resistivity or absence of hydraulic pressure can be reasons for lower initial flux. Detection of organic carbon but absence of lactose in draw solution showed passage of molecules being different than lactose into draw solution. Copyright © 2017 Elsevier Ltd. All rights reserved.

  5. Far-infrared 14NH3 line positions and intensities measured with a FT-IR and AILES beamline, Synchrotron SOLEIL

    NASA Astrophysics Data System (ADS)

    Sung, Keeyoon; Yu, Shanshan; Pearson, John; Pirali, Olivier; Kwabia Tchana, Fridolin; Manceron, Laurent

    2016-09-01

    Extensive measurements of line positions and intensities are reported for the inversion-rotation and rovibrational transitions of 14NH3 in the 50-660 cm-1 region. This study analyzes high-resolution (0.00167 cm-1, unapodized) Fourier-transform spectra of high purity (99.5%) normal ammonia sample obtained using the AILES beamline of Synchrotron SOLEIL. The experimental conditions are designed to study transitions with intensities weaker than 1 × 10-22 cm-1/(molecule cm-2) at room temperature. Line positions and intensities of more than 2830 transitions of 14NH3 are measured and compiled after proper quality control; the features from minor isotopologues (15NH3 and NH2D) and H2O are identified and excluded. Based on the predictions of recent work from the empirical Hamiltonian modeling, systematic quantum assignments are made for 2047 transitions from eight bands including four inversion-rotation (gs, v2, 2v2, and v4) and four ro-vibrational bands (v2-gs, 2v2-v2, v4-v2, and 2v2-v4), as well as covering their ΔK = 3 forbidden transitions. The measured line positions for the assigned transitions are in an excellent agreement (typically better than 0.001 cm-1) with the predictions in a wide range of J and K for all the eight bands. The comparison with the HITRAN 2012 database is also satisfactory, although systematic offsets are seen for transitions with high J and K and those from weak bands. Also we note that out of the eight bands, the 2v2-v4 has not been listed in the HITRAN 2012 database. Differences of 20% are seen between our measured and calculated intensities depending on the bands. For line positions, greater differences are found for some NH3 bands in HITRAN 2012 than recent predictions. Measurements of the individual line positions and intensities are presented for the eight bands, and the final spectroscopic line positions and intensities are compiled as an electronic supplement.

  6. New insights from comprehensive on-road measurements of NOx, NO2 and NH3 from vehicle emission remote sensing in London, UK

    NASA Astrophysics Data System (ADS)

    Carslaw, David C.; Rhys-Tyler, Glyn

    2013-12-01

    In this paper we report the first direct measurements of nitrogen dioxide (NO2) in the UK using a vehicle emission remote sensing technique. Measurements of NO, NO2 and ammonia (NH3) from almost 70,000 vehicles were made spanning vehicle model years from 1985 to 2012. These measurements were carefully matched with detailed vehicle information data to understand the emission characteristics of a wide range of vehicles in a detailed way. Overall it is found that only petrol fuelled vehicles have shown an appreciable reduction in total NOx emissions over the past 15-20 years. Emissions of NOx from diesel vehicles, including those with after-treatment systems designed to reduce emissions of NOx, have not reduced over the same period of time. It is also evident that the vehicle manufacturer has a strong influence on emissions of NO2 for Euro 4/5 diesel cars and urban buses. Smaller-engined Euro 4/5 diesel cars are also shown to emit less NO2 than larger-engined vehicles. It is shown that NOx emissions from urban buses fitted with Selective Catalytic Reduction (SCR) are comparable to those using Exhaust Gas Recirculation for Euro V vehicles, while reductions in NOx of about 30% are observed for Euro IV and EEV vehicles. However, the emissions of NO2 vary widely dependent on the bus technology used. Almost all the NOx emission from Euro IV buses with SCR is in the form of NO, whereas EEV vehicles (Enhanced Environmentally friendly Vehicle) emit about 30% of the NOx as NO2. We find similarly low amounts of NO2 from trucks (3.5-12t and >12t). Finally, we show that NH3 emissions are most important for older generation catalyst-equipped petrol vehicles and SCR-equipped buses. The NH3 emissions from petrol cars have decreased by over a factor of three from the vehicles manufactured in the late 1990s compared with those manufactured in 2012. Tables of emission factors are presented for NOx, NO2 and NH3 together with uncertainties to assist the development of new emission

  7. Urban NH3 levels and sources in a Mediterranean environment

    NASA Astrophysics Data System (ADS)

    Reche, Cristina; Viana, Mar; Pandolfi, Marco; Alastuey, Andrés; Moreno, Teresa; Amato, Fulvio; Ripoll, Anna; Querol, Xavier

    2012-09-01

    Urban NH3 concentrations were mapped in Barcelona (Spain) by means of passive samplers (dosimeters). Average NH3 levels were 9.5 μg m-3 in summer and 4.4 μg m-3 in winter, higher than those reported in other urban background sites in Europe, this being especially notable in summer. During this season, values were significantly higher at urban background than at traffic sites, probably indicating the impact of emissions from biological sources, such as humans, sewage systems and garbage containers. Thus, the volatilization of NH3 from the aerosol phase seems to be significant enough during summer to dominate over traffic emissions. Conversely, in winter levels were higher at traffic sites, suggesting a contribution from vehicle emissions. Indeed, NH3 levels decreased by 55% with increasing distance (50 m) to the direct emissions from traffic. A significant correlation between NH3 concentrations averaged for the different districts of the city and the number of waste containers per hm2 was also obtained, highlighting the necessity for controlling and reducing the emissions from garbage collection systems. The urban topography of the Barcelona historical city centre, characterised by narrow streets with a high population density, seemed to exert a strong influence on NH3 levels, with levels reaching up to 30 μg m-3 as a consequence of limited dispersion and ventilation conditions. The impact of the sewage system emissions was also detected with an increase of levels when measuring immediately above the source, even though further studies are required to evaluate the relevance of these emissions.

  8. TDLAS-based NH3 mole fraction measurement for exhaust diagnostics during selective catalytic reduction using a fiber-coupled 2.2-µm DFB diode laser

    NASA Astrophysics Data System (ADS)

    Stritzke, Felix; Diemel, Oliver; Wagner, Steven

    2015-04-01

    A new developed tunable diode laser spectrometer for the measurement of ammonia (NH3) mole fractions in exhaust gas matrices with strong CO2 and H2O background at temperatures up to 800 K is presented. In situ diagnostics in harsh exhaust environments during SCR after treatment are enabled by the use of ammonia transitions in the ν2 + ν3 near-infrared band around 2300 nm. Therefore, three lines have been selected, coinciding near 2200.5 nm (4544.5 cm-1) with rather weak temperature dependency and minimal interference with CO2 and H2O. A fiber-coupled 2.2-μm distributed feedback laser diode was used and attached to the hot gas flow utilizing adjustable gas tight high-temperature fiber ports. The spectrometer spans four coplanar optical channels across the measurement plane and simultaneously detects the direct absorption signal via a fiber-coupled detector unit. An exhaust simulation test rig was used to characterize the spectrometer's performance in ammonia-doped hot gas environments. We achieved a temporal resolution of 13 Hz and temperature-dependent precisions of NH3 mole fraction ranging from 50 to 70 ppmV. There the spectrometer achieved normalized ammonia detection limits of 7-10 and 2-3.

  9. Atmospheric ammonia measurements at low concentration ...

    EPA Pesticide Factsheets

    We evaluated the relative importance of dry deposition of ammonia (NH3) gas at several headwater areas of the Susquehanna River, the largest single source of nitrogen pollution to Chesapeake Bay, including three that are remote from major sources of NH3 emissions (CTH, ARN, and KEF) and one (HFD) that is near a major agricultural source. We also examined the importance of nitrogen dioxide (NO2) deposition at one of these sites. Over the past decade, increasing evidence has suggested that NH3 deposition, in particular, may be an important contributor to total nitrogen deposition and to downstream nitrogen pollution. We used Ogawa passive samplers to measure NH3 concentrations over several years (2006–2011) for CTH, and primarily in 2008 and 2009 for the other sites. NO2 was measured at CTH mainly in 2007. Chamber calibration studies for NH3 and NO2, and field comparisons with annular denuders for NH3, validated the use of these passive samplers over a range of temperatures and humidity observed in the field, if attention is given to field and laboratory blank issues. The annual mean NH3 concentrations for the forested sites were 0.41 ± 0.03, 0.41 ± 0.06 and 0.25 ± 0.08 µg NH3/m3 for CTH, ARN and KEF, respectively. NO2 passive sampler mean annual concentration was 3.19 ± 0.42 µg NO2/m3 at CTH. Direct comparison of our measured values with the widely used Community Multiscale Air Quality (CMAQ) model (v4.7.1) show reasonably good agreement. However, the mod

  10. First detection of ammonia (NH3) in the upper troposphere

    NASA Astrophysics Data System (ADS)

    Höpfner, Michael; Volkamer, Rainer; Grabowski, Udo; Grutter de la Mora, Michel; Orphal, Johannes; Stiller, Gabriele; von Clarmann, Thomas

    2016-04-01

    Ammonia (NH3) is the major alkaline trace gas in the troposphere. Neutralization of atmospheric acids, like HNO3 and H2SO4, leads to formation of ammonium nitrate and ammonium sulfate aerosols. Further, there are indications that NH3 may enhance nucleation of sulfuric acid aerosols by stabilization of sulfuric acid clusters. By far the largest source of ammonia is agricultural food production. Major global emissions are located in S-E Asia as e.g. shown by satellite nadir observations. Besides its importance with respect to air quality issues, an increase of ammonia emissions in the 21st century might lead to a significant climate radiative impact through aerosol formation. In spite of its significance, there is a lack of observational information on the global distribution of NH3 in the mid- and upper troposphere. Observational evidence, however, would be important for testing e.g. model results on the fate of ammonia from its source regions on ground to altitudes up to the tropopause. In this contribution we will show, to our knowledge, the first unequivocal detection of ammonia in the upper troposphere. This result has been achieved through analysis of infrared limb-emission observations performed with the MIPAS (Michelson Interferometer for Passive Atmospheric Sounding) instrument on board the Envisat satellite from 2002-2012. On a global scale, enhanced values of ammonia have been measured in the upper tropospheric region influenced by the Asian monsoon. We will present a quantitative analysis of the retrieved concentrations of NH3 including an error assessment and further retrieval diagnostics. The results will be discussed with respect to the variability of NH3 locally within the Asian monsoon region's upper troposphere and at different years. Further, we will show comparisons between global distributions of NH3 from published model simulations and our observational dataset from MIPAS.

  11. Enhanced NH3 emission from swine liquid waste

    NASA Astrophysics Data System (ADS)

    Lee, S.; Robarge, W. P.; Walker, J. T.

    2010-12-01

    Swine animal feeding operations are sources of emissions for various gases [ammonia (NH3), hydrogen sulfide (H2S), carbon dioxide (CO2), volatile organic carbons (VOCs)], and fine particulate matter. Gaseous emissions from simple aqueous systems are typically controlled by temperature, pH, wind speed, total dissolved concentration of the chemical species of interest (e.g. NH3+NH4+ = TAN), and the Henry’s law constant. Ammonia emissions from three different sources [ammonium sulfate (AS), swine anaerobic lagoon liquid (SLL), and pit liquid (SPL) from swine housing units] were evaluated using a small flow-through teflon-lined chamber (SFTC; 0.3m × 0.2m × 0.15m) under controlled laboratory conditions. The SFTC was designed for 100% collection efficiency of NH3 gas emitted from the liquids. The internal volume of the chamber, 9 L, was exchanged 1.1 times per minute. All three liquid formulations exhibit the expected response in emissions with changes in temperature and pH. However, NH3 emissions from the SPL and SLL are ~5 times those from pure solutions of AS. Furthermore, the enhancement in NH3 emissions was a function of TAN concentration, decreasing in intensity at higher TAN and approaching rates comparable to the pure solutions of AS. The difference in emissions with solutions of equivalent TAN suggests a synergistic mechanism that is enhancing NH3 emissions in SPL and SLL. Concurrent measurements as part of the National Air Emissions Monitoring Study at the swine operations originally sampled for SPL and SLL document the emissions of CO2, H2S and VOCs (primarily acetic, propionic and butyric acids) at levels that are comparable to observed NH3 emissions. To date, only additions of NaHCO3 to the SPL and SLL have been found to enhance NH3 emissions and exhibit the same response to increasing TAN as exhibited by the original SPL and SLL solutions. Possible reactions that could enhance emissions will be discussed.

  12. Unaccounted variability in NH3 agricultural sources detected by IASI contributing to European spring haze episode

    NASA Astrophysics Data System (ADS)

    Fortems-Cheiney, A.

    2016-12-01

    Ammonia (NH3), whose main source is agriculture, is an important gaseous precursor of atmospheric particulate matter (PM). For the first time, we derived daily ammonia emissions using NH3 total columns from the Infrared Atmospheric Sounding Interferometer (IASI) onboard Metop-A, at a relatively high spatial resolution (grid-cell of 0.5° x 0.5°). During the European spring haze episode of March 2014 8th to 15th, IASI reveals NH3 total column magnitudes highlighting higher NH3 emissions over Central Europe (especially over Germany, Czech Republic and eastern France) from the ones provided by the European reference EMEP inventory (see figure). These ammonia emissions exhibit in addition a large day-to-day variability, certainly due to spreading practices. The increase of NH3 emissions derived by IASI (see NH3-SAT emissions in figure), that reaches +300% locally, leads to an increase of both NH3 and PM10 surface concentrations and allows for a better comparison with independent measurements (in terms of bias, root mean square error and correlation). This preliminary study suggest that there are good promises for i) better quantifying NH3 emissions by atmospheric inversions and ii) better forecast of spring haze episode.

  13. Measurement of OH, H2SO4, MSA, NH3 and DMSO Aboard the NASA P-3B Aircraft

    NASA Technical Reports Server (NTRS)

    Eisele, Fred

    2001-01-01

    This project involved the installation of a downsized multichannel mass spectrometer instrument on the NASA P-3B aircraft and its subsequent use on the PEM-Tropics B mission. The new instrument performed well, measuring a number of difficult-to-measure compounds and providing much new photochemical and sulfur data as well as possibly uncovering a new nighttime DMSO source. The details of this effort are discussed.

  14. The effect of Si and Al concentrations on the removal of U(VI) in the alkaline conditions created by NH3 gas

    SciTech Connect

    Katsenovich, Yelena P.; Cardona, Claudia; Lapierre, Robert; Szecsody, Jim; Lagos, Leonel E.

    2016-10-01

    Remediation of uranium in the deep unsaturated zone is a challenging task, especially in the presence of oxygenated, high-carbonate alkalinity soil and pore water composition typical for arid and semi-arid environments of the western regions of the U.S. This study evaluates the effect of various pore water constituencies on changes of uranium concentrations in alkaline conditions, created in the presence of reactive gases such as NH3 to effectively mitigate uranium contamination in the vadose zone sediments. This contaminant is a potential source for groundwater pollution through slow infiltration of soluble and highly mobile uranium species towards the water table. The objective of this research was to evaluate uranium sequestration efficiencies in the alkaline synthetic pore water solutions prepared in a broad range of Si, Al, and bicarbonate concentrations typically present in field systems of the western U.S. regions and identify solid uranium-bearing phases that result from ammonia gas treatment. In previous studies (Szecsody et al. 2012; Zhong et al. 2015), although uranium mobility was greatly decreased, solid phases could not be identified at the low uranium concentrations in field-contaminated sediments. The chemical composition of the synthetic pore water used in the experiments varied for silica (5–250 mM), Al3+ (2.8 or 5 mM), HCO3- (0–100 mM) and U(VI) (0.0021–0.0084 mM) in the solution mixture. Experiment results suggested that solutions with Si concentrations higher than 50 mM exhibited greater removal efficiencies of U(VI). Solutions with higher concentrations of bicarbonate also exhibited greater removal efficiencies for Si, Al, and U(VI). Overall, the silica polymerization reaction leading to the formation of Si gel correlated with the removal of U(VI), Si, and Al from the solution. If no Si polymerization was observed, there was no U removal from the supernatant solution. Speciation modeling indicated that the dominant uranium species in the

  15. Carrier diffusion in thin-film CH3NH3PbI3 perovskite measured using four-wave mixing

    NASA Astrophysics Data System (ADS)

    Webber, D.; Clegg, C.; Mason, A. W.; March, S. A.; Hill, I. G.; Hall, K. C.

    2017-09-01

    We report the application of femtosecond four-wave mixing (FWM) to the study of carrier transport in solution-processed CH3NH3PbI3. The diffusion coefficient was extracted through direct detection of the lateral diffusion of carriers utilizing the transient grating technique, coupled with the simultaneous measurement of decay kinetics exploiting the versatility of the boxcar excitation beam geometry. The observation of the exponential decay of the transient grating versus interpulse delay indicates diffusive transport with negligible trapping within the first nanosecond following excitation. The in-plane transport geometry in our experiments enabled the diffusion length to be compared directly with the grain size, indicating that carriers move across multiple grain boundaries prior to recombination. Our experiments illustrate the broad utility of FWM spectroscopy for rapid characterization of macroscopic film transport properties.

  16. Unaccounted variability in NH3 agricultural sources detected by IASI contributing to European spring haze episode

    NASA Astrophysics Data System (ADS)

    Fortems-Cheiney, A.; Dufour, G.; Hamaoui-Laguel, L.; Foret, G.; Siour, G.; Van Damme, M.; Meleux, F.; Coheur, P.-F.; Clerbaux, C.; Clarisse, L.; Favez, O.; Wallasch, M.; Beekmann, M.

    2016-05-01

    Ammonia (NH3), whose main source in the troposphere is agriculture, is an important gaseous precursor of atmospheric particulate matter (PM). We derived daily ammonia emissions using NH3 total columns measured from the Infrared Atmospheric Sounding Interferometer (IASI) on board Metop-A, at a relatively high spatial resolution (grid cell of 0.5° × 0.5°). During the European spring haze episodes of 24-31 March 2012 and 8-15 March 2014, IASI reveals NH3 total column magnitudes highlighting higher NH3 emissions over central Europe (especially over Germany, Czech Republic, and eastern France) from the ones provided by the European reference European Monitoring and Evaluation Programme inventory. These ammonia emissions exhibit in addition a large day-to-day variability, certainly due to spreading practices. The increase of NH3 emissions in the model, that reaches +300% locally, leads to an increase of both NH3 and PM2.5 surface concentrations and allows for a better comparison with independent measurements (in terms of bias, root-mean-square error, and correlation). This study suggests that there are good prospects for better quantifying NH3 emissions by atmospheric inversions.

  17. Estimating Atmospheric NH3 Exchange in the Midwestern U.S. using SURFATM-NH3

    NASA Astrophysics Data System (ADS)

    Sibble, D.; Caldwell, J. A.; Caillaud, T.; Johnson, E.; Personne, E.; Saylor, R. D.; Heuer, M.; Nelson, A. J.; Rood, M. J.; Koloutsou-Vakakis, S.; Myles, L.

    2014-12-01

    The bi-directionality of ammonia (NH3) exchange in canopies is influenced by changes in the atmosphere, vegetation, and soils. Accurate simulation of exchange processes is challenging due to uncertainties in stomatal compensation point, soil resistances, and other key inputs. As part of a study to quantify NH3 emissions from fertilized maize in the Midwestern U.S., the SURFATM-NH3 model was used to simulate NH3 flux using measurement data (chemical flux, micrometeorology, and soil) collected over an entire growing season from May-September 2014. Initial simulations reveal that NH3 flux predictions display a statistically significant correlation with atmospheric variables that influence the transfer of moisture and energy (i.e. temperature, relative humidity, radiation). A function that describes the relationship between the emission potentials, meteorological data, and the vegetative canopy flux is also observed, which could be utilized by future studies to increase the accuracy of forecasting the source/sink behavior of the NH3 canopy flux.

  18. Soil and vegetation-atmosphere exchange of NO, NH3, and N2O from field measurements in a semi arid grazed ecosystem in Senegal

    NASA Astrophysics Data System (ADS)

    Delon, C.; Galy-Lacaux, C.; Serça, D.; Loubet, B.; Camara, N.; Gardrat, E.; Saneh, I.; Fensholt, R.; Tagesson, T.; Le Dantec, V.; Sambou, B.; Diop, C.; Mougin, E.

    2017-05-01

    The alternating between dry and wet seasons and the consecutive microbial responses to soil water content in semiarid ecosystems has significant consequences on nitrogen exchanges with the atmosphere. Three field campaigns were carried out in a semi arid sahelian rangeland in Dahra (Ferlo, Senegal), two at the beginning of the wet season in July 2012 and July 2013, and the third one in November 2013 at the end of the wet season. The ammonia emission potentials of the soil ranged from 271 to 6628, indicating the soil capacity to emit NH3. The ammonia compensation point in the soil ranged between 7 and 150 ppb, with soil temperatures between 32 and 37 °C. Ammonia exchange fluctuated between emission and deposition (from -0.1-1.3 ng N.m-2 s-1), depending on meteorology, ambient NH3 concentration (5-11 ppb) and compensation point mixing ratios. N2O fluxes are supposed to be lower than NO fluxes in semi arid ecosystems, but in Dahra N2O fluxes (5.5 ± 1.3 ng N m-2 s-1 in July 2013, and 3.2 ± 1.7 ng N m-2 s-1 in November 2013) were similar to NO fluxes (5.7 ± 3.1 ng N m-2 s-1 in July 2012, 5.1 ± 2.1 ng N m-2 s-1 in July 2013, and 4.0 ± 2.2 ngN m-2 s-1 in November 2013). Possible reasons are the influence of soil moisture below the surface (where N2O is produced) after the beginning of the wet season, the potential aerobic denitrification in microsites, the nitrifier denitrification, and nitrification processes. The presence of litter and standing straw, and their decomposition dominated N compounds emissions in November 2013, whereas emissions in July 2012 and 2013, when the herbaceous strata was sparse, were dominated by microbial processes in the soil. CO2 respiration fluxes were high in the beginning (107 ± 26 mg m-2 h-1 in July 2013) and low in the end of the wet season (32 ± 5 mg m-2 h-1 in November 2013), when autotrophic and heterotrophic activity is reduced due to low soil moisture conditions These results confirm that contrasted ecosystem conditions due

  19. Response characteristics of stable mixed-potential NH3 sensors in diesel engine exhaust

    DOE PAGES

    Brosha, Eric L.; Prikhodko, Vitaly Y.; Kreller, Cortney R.; ...

    2016-10-20

    Here, a mixed-potential, electrochemical sensor platform is extended to NH3 sensing by the introduction of a new gold alloy working electrode. A planar, pre-commercial NH3 sensor utilized LANL’s controlled interface approach, and a Pd-Au alloy working electrode was tested in exhaust of a GM 1.9 L diesel engine downstream of a diesel oxidation catalyst through a slipstream arrangement. A fraction of the exhaust was pulled across the sensor with a pump at 20 L/min. In order to simulate NH3 slip inside of a full SCR emissions control system, NH3 was injected immediately upstream of the sensor using a calibrated massmore » flow controller. The sensor response quantitatively tracked the NH3 as measured via Fourier transform infrared (FTIR) analyzer. A calibration curve was obtained in the exhaust from an ammonia staircase response with the engine running at steady-state engine conditions resulting in low background concentrations of NOx and HC (<20 ppm) during calibration. Exhaust gas recirculation (EGR) switching and sweeps were used to evaluate the NH3 sensor response under different amounts of total background NOx. The calibration curve was used to directly compare the [NH3] calculated from sensor response to the gas phase composition measured via FTIR. In general, there was excellent quantitative agreement between the sensor response and the actual NH3 in the exhaust gas, and fast response time such that transients (<5 ppm) could be easily discerned from baseline. A LANL pre-commercial NOx sensor was tested simultaneously with the NH3 sensor and the extent of cross-sensitivity between the two sensors will be discussed.« less

  20. Rapid ammonia gas transport accounts for futile transmembrane cycling under NH3/NH4+ toxicity in plant roots.

    PubMed

    Coskun, Devrim; Britto, Dev T; Li, Mingyuan; Becker, Alexander; Kronzucker, Herbert J

    2013-12-01

    Futile transmembrane NH3/NH4(+) cycling in plant root cells, characterized by extremely rapid fluxes and high efflux to influx ratios, has been successfully linked to NH3/NH4(+) toxicity. Surprisingly, the fundamental question of which species of the conjugate pair (NH3 or NH4(+)) participates in such fluxes is unresolved. Using flux analyses with the short-lived radioisotope (13)N and electrophysiological, respiratory, and histochemical measurements, we show that futile cycling in roots of barley (Hordeum vulgare) seedlings is predominately of the gaseous NH3 species, rather than the NH4(+) ion. Influx of (13)NH3/(13)NH4(+), which exceeded 200 µmol g(-1) h(-1), was not commensurate with membrane depolarization or increases in root respiration, suggesting electroneutral NH3 transport. Influx followed Michaelis-Menten kinetics for NH3 (but not NH4(+)), as a function of external concentration (Km = 152 µm, Vmax = 205 µmol g(-1) h(-1)). Efflux of (13)NH3/(13)NH4(+) responded with a nearly identical Km. Pharmacological characterization of influx and efflux suggests mediation by aquaporins. Our study fundamentally revises the futile-cycling model by demonstrating that NH3 is the major permeating species across both plasmalemma and tonoplast of root cells under toxicity conditions.

  1. The NH3Cl+ Cation

    DTIC Science & Technology

    2007-11-02

    solutions of NH2Cl can conveniently be prepared by the chlorination of aqueous ammonia with hypochlorite.[13,14] However, the highest practical NH2Cl...at –40 °C, it decomposes continuously and often explosively, due to the formation of ammonium chloride and more highly chlorinated products, such as...existence of NH3Cl + is provided by its vibrational and NMR spectra and theoretical calculations. Experimental Section Caution! Chloramines are highly

  2. Unaccounted variability in NH3 agricultutral sources detected by IASI contributing to European spring haze episode

    NASA Astrophysics Data System (ADS)

    Fortems-Cheiney, Audrey; Dufour, Gaelle; Hamaoui-Laguel, Lynda; Foret, Gilles; SIour, Guillaume; Van Damme, Martin; Meleux, Frederik; Coheur, Pierre; Clerbaux, Cathy; Clarisse, Lieven; Wallasch, Markus; Beekmann, Matthias

    2017-04-01

    Ammonia (NH3), which main source is agriculture, is an important precursor gas for particulate matter concentrations. For the first time, we derived ammonia emissions from space, using NH3 total columns from the IASI instrument onboard Metop-A, at a high resolution (grid-cell of 0.5° x 0.5°, at a daily scale), for the European spring haze episode of March 2014, 8th to 15th. During this period, IASI reveals higher NH3 emissions than in the European reference EMEP inventory over Central Europe (especially over Germany, Czech Republic and eastern France), exhibiting in addition a large day-to-day variability. This suggests emissions due to punctual spreading practices, that are difficult to anticipate with an inventory-based approach. The increase or NH3 emissions, that could reach +300% locally, leads both to an increase of NH3 and PM25 surface concentrations and conducts to a better comparison with independent measurements (in terms of bias, root mean square error and correlation). The robustness of this preliminary study is promising for future quantification of NH3 emission estimates by atmospheric inversions.

  3. Indoor, outdoor, and regional summer and winter concentrations of PM10, PM2.5, SO4(2)-, H+, NH4+, NO3-, NH3, and nitrous acid in homes with and without kerosene space heaters.

    PubMed

    Leaderer, B P; Naeher, L; Jankun, T; Balenger, K; Holford, T R; Toth, C; Sullivan, J; Wolfson, J M; Koutrakis, P

    1999-03-01

    Twenty-four-hour samples of PM10 (mass of particles with aerodynamic diameter < or = 10 microm), PM2.5, (mass of particles with aerodynamic diameter < or = 2.5 microm), particle strong acidity (H+), sulfate (SO42-), nitrate (NO3-), ammonia (NH3), nitrous acid (HONO), and sulfur dioxide were collected inside and outside of 281 homes during winter and summer periods. Measurements were also conducted during summer periods at a regional site. A total of 58 homes of nonsmokers were sampled during the summer periods and 223 homes were sampled during the winter periods. Seventy-four of the homes sampled during the winter reported the use of a kerosene heater. All homes sampled in the summer were located in southwest Virginia. All but 20 homes sampled in the winter were also located in southwest Virginia; the remainder of the homes were located in Connecticut. For homes without tobacco combustion, the regional air monitoring site (Vinton, VA) appeared to provide a reasonable estimate of concentrations of PM2.5 and SO42- during summer months outside and inside homes within the region, even when a substantial number of the homes used air conditioning. Average indoor/outdoor ratios for PM2.5 and SO42- during the summer period were 1.03 +/- 0.71 and 0.74 +/- 0.53, respectively. The indoor/outdoor mean ratio for sulfate suggests that on average approximately 75% of the fine aerosol indoors during the summer is associated with outdoor sources. Kerosene heater use during the winter months, in the absence of tobacco combustion, results in substantial increases in indoor concentrations of PM2.5, SO42-, and possibly H+, as compared to homes without kerosene heaters. During their use, we estimated that kerosene heaters added, on average, approximately 40 microg/m3 of PM2.5 and 15 microg/m3 of SO42- to background residential levels of 18 and 2 microg/m3, respectively. Results from using sulfuric acid-doped Teflon (E.I. Du Pont de Nemours & Co., Wilmington, DE) filters in homes with

  4. Indoor, outdoor, and regional summer and winter concentrations of PM10, PM2.5, SO4(2)-, H+, NH4+, NO3-, NH3, and nitrous acid in homes with and without kerosene space heaters.

    PubMed Central

    Leaderer, B P; Naeher, L; Jankun, T; Balenger, K; Holford, T R; Toth, C; Sullivan, J; Wolfson, J M; Koutrakis, P

    1999-01-01

    Twenty-four-hour samples of PM10 (mass of particles with aerodynamic diameter < or = 10 microm), PM2.5, (mass of particles with aerodynamic diameter < or = 2.5 microm), particle strong acidity (H+), sulfate (SO42-), nitrate (NO3-), ammonia (NH3), nitrous acid (HONO), and sulfur dioxide were collected inside and outside of 281 homes during winter and summer periods. Measurements were also conducted during summer periods at a regional site. A total of 58 homes of nonsmokers were sampled during the summer periods and 223 homes were sampled during the winter periods. Seventy-four of the homes sampled during the winter reported the use of a kerosene heater. All homes sampled in the summer were located in southwest Virginia. All but 20 homes sampled in the winter were also located in southwest Virginia; the remainder of the homes were located in Connecticut. For homes without tobacco combustion, the regional air monitoring site (Vinton, VA) appeared to provide a reasonable estimate of concentrations of PM2.5 and SO42- during summer months outside and inside homes within the region, even when a substantial number of the homes used air conditioning. Average indoor/outdoor ratios for PM2.5 and SO42- during the summer period were 1.03 +/- 0.71 and 0.74 +/- 0.53, respectively. The indoor/outdoor mean ratio for sulfate suggests that on average approximately 75% of the fine aerosol indoors during the summer is associated with outdoor sources. Kerosene heater use during the winter months, in the absence of tobacco combustion, results in substantial increases in indoor concentrations of PM2.5, SO42-, and possibly H+, as compared to homes without kerosene heaters. During their use, we estimated that kerosene heaters added, on average, approximately 40 microg/m3 of PM2.5 and 15 microg/m3 of SO42- to background residential levels of 18 and 2 microg/m3, respectively. Results from using sulfuric acid-doped Teflon (E.I. Du Pont de Nemours & Co., Wilmington, DE) filters in homes with

  5. Multi-walled carbon nanotubes plastic NH3 gas sensor

    NASA Astrophysics Data System (ADS)

    Isa, Siti S. Mat; Ramli, Muhammad M.; Jamlos, M. F.; Hambali, N. A. M. Ahmad; Isa, M. Mohamad; Kasjoo, S. R.; Ahmad, N.; Nor, N. I. M.; Khalid, N.

    2017-03-01

    Multi-walled Carbon Nanotubes (MWCNTs) functionalized -COOH was used as the sensing material. The MWCNTs suspension was then deposited on the plastic substrate using vacuum filtration method, hence created uniform thin film carbon nanotubes network. Plastic membrane was chosen as the substrate in order to produce flexible, lightweight, wearable and low cost sensor. This device was exposed to ammonia gas (NH3) at two different concentrations; 19.2 and 231.4 ppm. The device shows high sensitivity at 23.4 % when exposed to 231.4 ppm NH3 and less sensitivity at 4.39 % for 19.2 ppm NH3 exposure.

  6. Ambient Ammonia Impact Determined by a Novel NH3 Sensor Utilizing a Quantum Cascade Laser and Photoacoustic Spectroscopy

    NASA Astrophysics Data System (ADS)

    McKarns, T.; Kutter, M. F.

    2015-12-01

    Despite the impact of ambient ammonia (NH3) concentrations on the ecology and our health, the continuous monitoring of NH3 is not yet commonplace. The ammonia molecule has reactive and sticky properties making it difficult to sample, and measuring techniques with sufficient sensitivity and selectivity have been difficult to source. The technique presented is based on photo acoustic spectroscopy (PAS) with a quantum cascade laser (QCL). Developed for a wide range of environments, from the cleanest Swiss mountaintops to rural alpine pastures for cows, the novel detector has shown its reliability and ruggedness for sensing NH3 concentrations from 0-5,000 ppb (part per billions) levels. Rural background measurements performed with the new ECO PHYSICS PAS 87 system and in cooperation with the German Institute for Tropospheric Research, will prove the suitability of this approach to reach continuous automated ambient NH3 values for environmental campaigns.

  7. Coexistence of Two Electronic Nano-Phases on a CH3NH3PbI3-xClx Surface Observed in STM Measurements.

    PubMed

    Yost, Andrew J; Pimachev, Artem; Ho, Chun-Chih; Darling, Seth B; Wang, Leeyih; Su, Wei-Fang; Dahnovsky, Yuri; Chien, TeYu

    2016-10-10

    Scanning tunneling microscopy is utilized to investigate the local density of states of a CH3NH3PbI3-xClx perovskite in cross-sectional geometry. Two electronic phases, 10-20 nm in size, with different electronic properties inside the CH3NH3PbI3-xClx perovskite layer are observed by the dI/dV mapping and point spectra. A power law dependence of the dI/dV point spectra is revealed. In addition, the distinct electronic phases are found to have preferential orientations close to the normal direction of the film surface. Density functional theory calculations indicate that the observed electronic phases are associated with local deviation of I/Cl ratio, rather than different orientations of the electric dipole moments in the ferroelectric phases. By comparing the calculated results with experimental data we conclude that phase A (lower contrast in dI/dV mapping at -2.0 V bias) contains a lower I/Cl ratio than that in phase B (higher contrast in dI/dV).

  8. Coexistence of two electronic nano-phases on a CH3NH3PbI3–xClx surface observed in STM measurements

    DOE PAGES

    Yost, Andrew J.; Pimachev, Artem; Ho, Chun -Chih; ...

    2016-10-10

    Scanning tunneling microscopy is utilized to investigate the local density of states of a CH3NH3PbI3-xClx perovskite in cross-sectional geometry. Two electronic phases, 10-20 nm in size, with different electronic properties inside the CH3NH3PbI3-xClx perovskite layer are observed by the dI/ dV mapping and point spectra. A power law dependence of the dI/dV point spectra is revealed. In addition, the distinct electronic phases are found to have preferential orientations close to the normal direction of the film surface. Density functional theory calculations indicate that the observed electronic phases are associated with local deviation of I/Cl ratio, rather than different orientations ofmore » the electric dipole moments in the ferroelectric phases. Furthermore, by comparing the calculated results with experimental data we conclude that phase A (lower contrast in dI/dV mapping at -2.0 V bias) contains a lower I/Cl ratio than that in phase B (higher contrast in dI/dV).« less

  9. Degradation of CH3NH3PbI3 perovskite due to soft x-ray irradiation as analyzed by an x-ray photoelectron spectroscopy time-dependent measurement method

    NASA Astrophysics Data System (ADS)

    Motoki, Keisuke; Miyazawa, Yu; Kobayashi, Daisuke; Ikegami, Masashi; Miyasaka, Tsutomu; Yamamoto, Tomoyuki; Hirose, Kazuyuki

    2017-02-01

    The effects of soft X-ray exposure on structures of CH3NH3PbI3 perovskite were investigated using an X-ray photoelectron spectroscopy (XPS) time-dependent measurement method. A crystalline sample was fabricated with the inverse-temperature crystallization method. The time evolutions of the core-level and valence-band spectra were recorded to determine the compositional ratios and valence band electronic structure of the sample, respectively. In addition, first-principles calculations were conducted to evaluate the valence band XPS spectra. The in situ XPS analysis combined with theoretical calculations demonstrated a degradation of the surface of CH3NH3PbI3 perovskite into PbI2 owing to the evaporation of methylammonium iodide.

  10. Rapid Ammonia Gas Transport Accounts for Futile Transmembrane Cycling under NH3/NH4+ Toxicity in Plant Roots1[C][W

    PubMed Central

    Coskun, Devrim; Britto, Dev T.; Li, Mingyuan; Becker, Alexander; Kronzucker, Herbert J.

    2013-01-01

    Futile transmembrane NH3/NH4+ cycling in plant root cells, characterized by extremely rapid fluxes and high efflux to influx ratios, has been successfully linked to NH3/NH4+ toxicity. Surprisingly, the fundamental question of which species of the conjugate pair (NH3 or NH4+) participates in such fluxes is unresolved. Using flux analyses with the short-lived radioisotope 13N and electrophysiological, respiratory, and histochemical measurements, we show that futile cycling in roots of barley (Hordeum vulgare) seedlings is predominately of the gaseous NH3 species, rather than the NH4+ ion. Influx of 13NH3/13NH4+, which exceeded 200 µmol g–1 h–1, was not commensurate with membrane depolarization or increases in root respiration, suggesting electroneutral NH3 transport. Influx followed Michaelis-Menten kinetics for NH3 (but not NH4+), as a function of external concentration (Km = 152 µm, Vmax = 205 µmol g–1 h–1). Efflux of 13NH3/13NH4+ responded with a nearly identical Km. Pharmacological characterization of influx and efflux suggests mediation by aquaporins. Our study fundamentally revises the futile-cycling model by demonstrating that NH3 is the major permeating species across both plasmalemma and tonoplast of root cells under toxicity conditions. PMID:24134887

  11. A flexible and robust neural network IASI-NH3 retrieval algorithm

    NASA Astrophysics Data System (ADS)

    Whitburn, S.; Van Damme, M.; Clarisse, L.; Bauduin, S.; Heald, C. L.; Hadji-Lazaro, J.; Hurtmans, D.; Zondlo, M. A.; Clerbaux, C.; Coheur, P.-F.

    2016-06-01

    In this paper, we describe a new flexible and robust NH3 retrieval algorithm from measurements of the Infrared Atmospheric Sounding Interferometer (IASI). The method is based on the calculation of a spectral hyperspectral range index (HRI) and subsequent conversion to NH3 columns via a neural network. It is an extension of the method presented in Van Damme et al. (2014a) who used lookup tables (LUT) for the radiance-concentration conversion. The new method inherits the advantages of the LUT-based method while providing several significant improvements. These include the following: (1) Complete temperature and humidity vertical profiles can be accounted for. (2) Third-party NH3 vertical profile information can be used. (3) Reported positive biases of LUT retrieval are reduced, and finally (4) a full measurement uncertainty characterization is provided. A running theme in this study, related to item (2), is the importance of the assumed vertical NH3 profile. We demonstrate the advantages of allowing variable profile shapes in the retrieval. As an example, we analyze how the retrievals change when all NH3 is assumed to be confined to the boundary layer. We analyze different averaging procedures in use for NH3 in the literature, introduced to cope with the variable measurement sensitivity and derive global averaged distributions for the year 2013. A comparison with a GEOS-Chem modeled global distribution is also presented, showing a general good correspondence (within ±3 × 1015 molecules.cm-2) over most of the Northern Hemisphere. However, IASI finds mean columns about 1-1.5 × 1016 molecules.cm-2 (˜50-60%) lower than GEOS-Chem for India and the North China plain.

  12. LPG and NH3 sensing characteristics of DC electrochemically deposited Co3O4 films

    NASA Astrophysics Data System (ADS)

    Shelke, P. N.; Khollam, Y. B.; Gunjal, S. D.; Koinkar, P. M.; Jadkar, S. R.; Mohite, K. C.

    2015-03-01

    Present communication reports the LPG and NH3 sensing properties of Co3O4 films prepared on throughly cleaned stainless steel (SS) and copper (CU) substrates by using DC electrochemical deposition method followed by air annealing at 350°C/2 h. The resultant films are characterized by using X-ray diffraction (XRD), Raman spectroscopy and scanning electron microscopy (SEM). The LPG and NH3 gas sensing properties of these films are measured at room temperature (RT) by using static gas sensing system at different concentrations of test gas ranging from 25 ppm to 350 ppm. The XRD and Raman spectroscopy studies clearly indicated the formation of pure cubic spinel Co3O4 in all films. The LPG and NH3 gas sensing properties of films showed (i) the increase in sensitivity factor (S.F.) with gas concentrations and (ii) more sensibility to LPG as compared to NH3 gas. In case of NH3 gas (conc. 150 ppm) and LPG gas (conc. 60 ppm) sensing, the maximum S.F. = 270 and 258 are found for the films deposited on CU substrates, respectively. For all films, the response time (3-5 min.) is found to be much higher than the recovery time (30-50 sec). For all films, the response and recovery time are found to be higher for LPG as compared to NH3 gas. Further, repeatability-reproducibility in gas sensing properties is clearly noted by analysis of data for number of cycles recorded for all films from different set of depositions.

  13. Low Temperature Catalyst for NH3 Removal

    NASA Technical Reports Server (NTRS)

    Monje, Oscar; Melendez, Orlando

    2013-01-01

    Air revitalization technologies maintain a safe atmosphere inside spacecraft by the removal of C02, ammonia (NH3), and trace contaminants. NH3 onboard the International Space Station (ISS) is produced by crew metabolism, payloads, or during an accidental release of thermal control refrigerant. Currently, the ISS relies on removing NH3 via humidity condensate and the crew wears hooded respirators during emergencies. A different approach to cabin NH3 removal is to use selective catalytic oxidation (SCO), which builds on thermal catalytic oxidation concepts that could be incorporated into the existing TCCS process equipment architecture on ISS. A low temperature platinum-based catalyst (LTP-Catalyst) developed at KSC was used for converting NH3 to H20 and N2 gas by SCO. The challenge of implementing SCO is to reduce formation of undesirable byproducts like NOx (N20 and NO). Gas mixture analysis was conducted using FTIR spectrometry in the Regenerable VOC Control System (RVCS) Testbed. The RVCS was modified by adding a 66 L semi-sealed chamber, and a custom NH3 generator. The effect of temperature on NH3 removal using the LTP-Catalyst was examined. A suitable temperature was found where NH3 removal did not produce toxic NO, (NO, N02) and N20 formation was reduced.

  14. Bibliographic review and new measurements of the infrared band strengths of pure molecules at 25 K: H2O, CO2, CO, CH4, NH3, CH3OH, HCOOH and H2CO

    NASA Astrophysics Data System (ADS)

    Bouilloud, M.; Fray, N.; Bénilan, Y.; Cottin, H.; Gazeau, M.-C.; Jolly, A.

    2015-08-01

    Infrared observations of the interstellar medium revealed the presence of several molecules in the solid phase such as H2O, CO2, CO, CH4, NH3, CH3OH, H2CO and HCOOH. Measurements of column densities and molecular abundances relative to water require the knowledge of infrared band strengths. We present a review of refractive indices at visible wavelengths, densities and infrared band strengths for all eight molecules. We also present new band strengths measured on icy films whose thicknesses have been determined using laser interference techniques. For CO2, CO, CH4 and NH3, our measurements are in agreement with previous determinations taking into account an uncertainty of about 20 per cent. For H2O ice films, the porosity and the density remain unreliable, leading to large uncertainties on the measured band strengths. Concerning amorphous CH3OH, H2CO and HCOOH, the densities and refractive indices are unknown leading to large uncertainties on the band strengths. However, we propose new values that are slightly different from previous determination. Our review and experimental work point out the most reliable band strengths for the eight studied molecules. For CH4, CH3OH, HCOOH and H2CO, the band strengths used to calculate abundances in the ices of interstellar medium seem to be inaccurate, leading to some doubts on the determined values.

  15. MetNH3: Metrology for ammonia in ambient air

    NASA Astrophysics Data System (ADS)

    Braban, Christine; Twigg, Marsailidh; Tang, Sim; Leuenberger, Daiana; Ferracci, Valerio; Martin, Nick; Pascale, Celine; Hieta, Tuomas; Pogany, Andrea; Persijn, Stefan; van Wijk, Janneke; Gerwig, Holger; Wirtze, Klaus; Tiebe, Carlo; Balslev-Harder, David; Niederhausen, Bernhardt

    2015-04-01

    Measuring ammonia in ambient air is a sensitive and priority issue due to its harmful effects on human health and ecosystems. The European Directive 2001/81/EC on 'National Emission Ceilings for Certain Atmospheric Pollutants (NEC)' regulates ammonia emissions in the member states. However, there is a lack of regulation to ensure reliable ammonia measurements namely in applicable analytical technology, maximum allowed uncertainty, quality assurance and quality control (QC/QA) procedures as well as in the infrastructure to attain metrological traceability. Validated ammonia measurement data of high quality from air monitoring networks are vitally important for identifying changes due to implementations of environment policies, for understanding where the uncertainties in current emission inventories are derived from and for providing independent verification of atmospheric model predictions. The new EURAMET project MetNH3 aims to develop improved reference gas mixtures by static and dynamic gravimetric generation methods, develop and characterise laser based optical spectrometric standards and establish the transfer from high-accuracy standards to field applicable methods. MetNH3started in June 2014 and in this presentation the first results from the metrological characterisation of a commercially available cavity ring-down spectrometer (CRDS) will be discussed. Also first tests and results from a new design, Controlled Atmosphere Test Facility (CATFAC), which is to be characterised and used to validate the performance of diffusive samplers, denuders and on-line instruments, will be reported. CAFTEC can be used to control test parameters such as ammonia concentration, relative humidity and wind speed. Outline plans for international laboratory and field intercomparisons in 2016 will be presented.

  16. A Sensitive Survey of Ammonia (NH3) in Comets

    NASA Astrophysics Data System (ADS)

    Magee-Sauer, Karen P.; Villanueva, G. L.; Bonev, B. P.; Paganini, L.; DiSanti, M. A.; Mumma, M. J.

    2012-10-01

    Being the fully reduced form of nitrogen, ammonia (NH3) is a key molecule for understanding the nitrogen chemistry in comets and to properly characterize the primordial conditions under which these icy bodies formed. Yet, its abundance has not been well characterized, even though NH3 is a major reservoir of volatile nitrogen in comets. To date the abundance has been directly measured in only 10 comets, all at radio and infrared wavelengths. This small sample is largely due to the difficulty in measuring emission from NH3 since its emission is normally weak, can be affected by terrestrial extinction, and (without sufficient spectral resolution) is not resolved from other volatile cometary emissions. In this paper, we present a search for NH3 in seven comets using archival data acquired by our Team using the NIRSPEC instrument at the Keck-2 telescope and the CSHELL instrument at the NASA Infrared Telescope Facility, both atop Mauna Kea, HI. Using an updated fluorescence model that is based on millions of ammonia spectral lines (Villanueva et al., in prep.), we present relative abundances of NH3 with respect to H2O. We find the relative abundance of NH3/H2O varies from 0.3% to 1.6% in these seven comets, and we compare this indicator with other properties measured for these comets (isotopic fractionation and mixing ratios of selected primary volatiles). We gratefully acknowledge support from NASA’s Postdoctoral Program (LP), the NASA Astrobiology Institute (PI MJM), NASA’s Planetary Astronomy (PI GLV; PI MJM; PI DiSanti) and Planetary Atmospheres (PI DiSanti, PI Villanueva) programs, and from NSF Planetary Astronomy program (PI BPB).

  17. Enhanced performance of CH3NH3PbI3- x Cl x perovskite solar cells by CH3NH3I modification of TiO2-perovskite layer interface

    NASA Astrophysics Data System (ADS)

    Wang, Wen; Zhang, Zongbao; Cai, Yangyang; Chen, Jinshan; Wang, Jianming; Huang, Riyan; Lu, Xubing; Gao, Xingsen; Shui, Lingling; Wu, Sujuan; Liu, Jun-Ming

    2016-06-01

    In this work, perovskite solar cells (PSCs) with CH3NH3PbI3- x Cl x as active layer and spiro-OMeTAD as hole-transport media have been fabricated by one-step method. The methylammonium iodide (CH3NH3I) solution with different concentrations is used to modify the interface between mesoporous TiO2 (meso-TiO2) film and CH3NH3PbI3- x Cl x perovskite layer. Several techniques including X-ray diffraction, scanning electron microscopy, optical absorption, electrochemical impedance spectroscopy (EIS) and photoluminescence are used to investigate the effect of the interfacial modification. It is found that the interfacial modification by CH3NH3I enhance the crystallinity and increase the grain size of CH3NH3PbI3- x Cl x layer, and improve the surface wetting properties of perovskite precursor on meso-TiO2 film. The sunlight absorption and external quantum efficiency of PSCs in the visible region with wavelength less than 600 nm have been improved. The Nyquist plots obtained from the EIS suggest that the CH3NH3I modification can reduce the charge recombination rates. The photoluminescence measurement shows that the exciton dissociation in the modified devices is more effective than that in the control samples. The photovoltaic performance of the modified devices can be significantly improved with respect to the reference (control) devices. The CH3NH3I modified devices at the optimized concentration demonstrate the average power conversion efficiency of 12.27 % in comparison with the average efficiency of 9.68 % for the reference devices.

  18. Enhanced performance of CH3NH3PbI3-x Cl x perovskite solar cells by CH3NH3I modification of TiO2-perovskite layer interface.

    PubMed

    Wang, Wen; Zhang, Zongbao; Cai, Yangyang; Chen, Jinshan; Wang, Jianming; Huang, Riyan; Lu, Xubing; Gao, Xingsen; Shui, Lingling; Wu, Sujuan; Liu, Jun-Ming

    2016-12-01

    In this work, perovskite solar cells (PSCs) with CH3NH3PbI3-x Cl x as active layer and spiro-OMeTAD as hole-transport media have been fabricated by one-step method. The methylammonium iodide (CH3NH3I) solution with different concentrations is used to modify the interface between mesoporous TiO2 (meso-TiO2) film and CH3NH3PbI3-x Cl x perovskite layer. Several techniques including X-ray diffraction, scanning electron microscopy, optical absorption, electrochemical impedance spectroscopy (EIS) and photoluminescence are used to investigate the effect of the interfacial modification. It is found that the interfacial modification by CH3NH3I enhance the crystallinity and increase the grain size of CH3NH3PbI3-x Cl x layer, and improve the surface wetting properties of perovskite precursor on meso-TiO2 film. The sunlight absorption and external quantum efficiency of PSCs in the visible region with wavelength less than 600 nm have been improved. The Nyquist plots obtained from the EIS suggest that the CH3NH3I modification can reduce the charge recombination rates. The photoluminescence measurement shows that the exciton dissociation in the modified devices is more effective than that in the control samples. The photovoltaic performance of the modified devices can be significantly improved with respect to the reference (control) devices. The CH3NH3I modified devices at the optimized concentration demonstrate the average power conversion efficiency of 12.27 % in comparison with the average efficiency of 9.68 % for the reference devices.

  19. Role identification of NH3 in atmospheric secondary new particle formation in haze occurrence of China

    NASA Astrophysics Data System (ADS)

    Jiang, Binfan; Xia, Dehong

    2017-08-01

    Haze pollution in China, dominated by the aerosol particulate matters smaller than 2.5 μm (PM2.5) has raised much concern over the past decade. PM2.5 is principally derived from secondary new particulate formation (NPF) with main precursors SO2, NO2, NH3 and organic compounds (OC), where NH3 is the only alkaline inorganic gas. However, due to the lack understanding of NH3's role in NPF, few attention has been paid to NH3, which hinders the haze mitigation in China. In this work, the role of NH3 in NPF is investigated theoretically with a new kinetic model. Combining the oxidation of SO2/NO2 in SO2/NO2/NH3/H2O/air system and the aggregation of clusters in H2SO4/HNO3/NH3/OC system, this model has been established based on gas-kinetic theory, and tested upon uncertainty analysis with Monte Carlo method. The results of NPF calculations at the atmospheric concentration of each precursor show that NH3 is able to enhance NPF indirectly by facilitating conversions of SO2 and NO2, and directly by promoting aggregations of H2SO4, HNO3, NH3 and OC. The major effect of NH3 on NPF is found to be the enhancement of conversion fractions for SO2 and NO2 during oxidation processes. In addition, the promotion in contribution of HNO3 to NPF due to NH3 has been particularly observed. Therefore, controlling the emission of NH3 strictly as current restrictions on SO2 and NOx is reasonable to mitigating the haze pollution in China which has much higher atmospheric NH3 concentration over the global average level.

  20. NARSTO EPA SS HOUSTON NH3 HNO3 DATA

    Atmospheric Science Data Center

    2014-04-25

    NARSTO EPA SS HOUSTON NH3 HNO3 DATA Project Title:  NARSTO ... Ion Chromatograph Location:  Houston, Texas Spatial Resolution:  Point Measurements ...   Order Data Guide Documents:  Houston HN3 HNO3 Guide Houston Project Plan  (PDF) ...

  1. Measurements of Atmospheric NH3, NOy/NOx, and NO2 and Deposition of Total Nitrogen at the Beaufort, NC CASTNET Site (BFT142)

    EPA Science Inventory

    The Clean Air Status and Trends Network (CASTNET) is a long-term environmental monitoring program that measures trends in ambient air quality and atmospheric dry pollutant deposition across the United States. CASTNET has been operating since 1987 and currently consists of 89 moni...

  2. Measurements of Atmospheric NH3, NOy/NOx, and NO2 and Deposition of Total Nitrogen at the Beaufort, NC CASTNET Site (BFT142)

    EPA Science Inventory

    The Clean Air Status and Trends Network (CASTNET) is a long-term environmental monitoring program that measures trends in ambient air quality and atmospheric dry pollutant deposition across the United States. CASTNET has been operating since 1987 and currently consists of 89 moni...

  3. Bibliographic review and new measurements of the integrated cross sections of 8 molecules (H2O, CO, CO2, CH3OH, NH3, CH4, HCOOH and H2CO) in the solid form at 25K

    NASA Astrophysics Data System (ADS)

    Michaelle, B.; Nicolas, F.; Yves, B.; Hervé, C.; Antoine, J.; Claire, G. Marie

    2014-04-01

    Infrared spectra from ISO and Spitzer telescopes revealed the presence of several molecules in the solid phase such as H2O, CO, CO2, CH3OH, NH3, CH4, HCOOH and H2CO in the environment of some Young Stellar Objects (YSOs) ([1], [2], [3], [4]. To quantify the column density of those molecules, the knowledge of some spectroscopic parameters, especially the integrated cross section A (cm.molecule-1) is required. For some molecules, inconsistencies on the values of spectroscopic parameters can be found in the literature. The purpose of this study is to compare all the values found in the literature with the ones that we have measured recently in order to propose more convincing values.

  4. Photodissociation of Mg +(NH 3) ion

    NASA Astrophysics Data System (ADS)

    Yoshida, Shinji; Okai, Nobuhiro; Fuke, Kiyokazu

    2001-10-01

    Electronically excited states of Mg +(NH 3) are studied by photodissociation after mass selection. The dissociation spectrum shows relatively sharp vibronic transitions centered at about 28 000 and 36 000 cm-1. These absorption bands are assigned to the 2P- 2S type transitions localized on the Mg + ion. In photodissociation, a photoinduced charge-transfer process to produce NH 3+ is observed in addition to evaporation and intracluster reaction processes to produce Mg + and MgNH 2+ ions, respectively. The mechanism for the production of these ions is discussed in terms of the predissociative and non-adiabatic interactions between the low-lying states.

  5. 14NH_3 Line Positions and Intensities in the Far-Infrared Comparison of Ft-Ir Measurements to Empirical Hamiltonian Model Predictions

    NASA Astrophysics Data System (ADS)

    Sung, Keeyoon; Yu, Shanshan; Pearson, John; Pirali, Olivier; Kwabia Tchana, F.; Manceron, Laurent

    2016-06-01

    We have analyzed multiple spectra of high purity (99.5%) normal ammonia sample recorded at room temperatures using the FT-IR and AILES beamline at Synchrotron SOLEIL, France. More than 2830 line positions and intensities are measured for the inversion-rotation and rovibrational transitions in the 50 - 660 wn region. Quantum assignments were made for 2047 transitions from eight bands including four inversion-rotation bands (gs(a-s), νb{2}(a-s), 2νb{2}(a-s), and νb{4}(a-s)) and four ro-vibrational bands (νb{2} - gs, 2νb{2} - gs, νb{4} - νb{2}, and 2νb{2} -νb{4}), as well as covering more than 300 lines of ΔK = 3 forbidden transitions. Out of the eight bands, we note that 2νb{2} - νb{4} has not been listed in the HITRAN 2012 database. The measured line positions for the assigned transitions are in an excellent agreement (typically better than 0.001 wn) with the predictions from the empirical Hamiltonian model [S. Yu, J.C. Pearson, B.J. Drouin, et al.(2010)] in a wide range of J and K for all the eight bands. The comparison with the HITRAN 2012 database is also satisfactory, although systematic offsets are seen for transitions with high J and K and those from weak bands. However, differences of 20% or so are seen in line intensities for allowed transitions between the measurements and the model predictions, depending on the bands. We have also noticed that most of the intensity outliers in the Hamiltonian model predictions belong to transitions from gs(a-s) band. We present the final results of the FT-IR measurements of line positions and intensities, and their comparisons to the model predictions and the HITRAN 2012 database. Research described in this paper was performed at the Jet Propulsion Laboratory and California Institute of Technology, under contracts and cooperative agreements with the National Aeronautics and Space Administration.

  6. TES/Aura L2 Ammonia (NH3) Nadir V6 (TL2NH3N)

    Atmospheric Science Data Center

    2017-07-14

    TES/Aura L2 Ammonia (NH3) Nadir (TL2NH3N) News:  TES News ... Level:  L2 Instrument:  TES/Aura L2 Ammonia Spatial Coverage:  5.3 x 8.5 km nadir ... Data: TES Order Tool Parameters:  Ammonia Legacy:  Retired data product , click here for ...

  7. TES/Aura L2 Ammonia (NH3) Nadir V6 (TL2NH3NS)

    Atmospheric Science Data Center

    2017-07-14

    TES/Aura L2 Ammonia (NH3) Nadir (TL2NH3NS) News:  TES News ... Level:  L2 Platform:  TES/Aura L2 Ammonia Spatial Coverage:  5.3 x 8.5 km nadir ... Data: TES Order Tool Parameters:  Ammonia Legacy:  Retired data product , click here for ...

  8. NH3 as unique non-classical content-former within clathrate hydrates

    NASA Astrophysics Data System (ADS)

    Maşlakcı, Zafer; Devlin, J. Paul; Uras-Aytemiz, Nevin

    2017-06-01

    High quality FTIR spectra of aerosols of NH3-THF and NH3-TMO binary clathrate hydrates (CHs) have been measured. Our recently developed all-vapor sub-second approach to clathrate-hydrate formation combined with computational studies has been used to identify vibrational spectroscopic signatures of NH3 within the gas hydrates. The present study shows that there are three distinct NH3 types, namely, classical small-cage NH3, nonclassical small-cage NH3, and NH3 within the hydrate network. The network ammonia does not directly trigger the non-classical CH structure. Rather, the ammonia within the network structure perturbs the water bonding, introducing orientational defects that are stabilized by small and/or large cage guest molecules through H-bonding. This unusual behavior of NH3 within CHs opens a possibility for catalytic action of NH3 during CH-formation. Furthermore, impacts over time of the small-cage NH3-replacement molecules CO2 and CH4 on the structure and composition of the ternary CHs have been noted.

  9. CH3NH3PbI3 grain growth and interfacial properties in meso-structured perovskite solar cells fabricated by two-step deposition.

    PubMed

    Yao, Zhibo; Wang, Wenli; Shen, Heping; Zhang, Ye; Luo, Qiang; Yin, Xuewen; Dai, Xuezeng; Li, Jianbao; Lin, Hong

    2017-01-01

    Although the two-step deposition (TSD) method is widely adopted for the high performance perovskite solar cells (PSCs), the CH3NH3PbI3 perovskite crystal growth mechanism during the TSD process and the photo-generated charge recombination dynamics in the mesoporous-TiO2 (mp-TiO2)/CH3NH3PbI3/hole transporting material (HTM) system remains unexploited. Herein, we modified the concentration of PbI2 (C(PbI2)) solution to control the perovskite crystal properties, and observed an abnormal CH3NH3PbI3 grain growth phenomenon atop mesoporous TiO2 film. To illustrate this abnormal grain growth mechanism, we propose that a grain ripening process is taking place during the transformation from PbI2 to CH3NH3PbI3, and discuss the PbI2 nuclei morphology, perovskite grain growing stage, as well as Pb:I atomic ratio difference among CH3NH3PbI3 grains with different morphology. These C(PbI2)-dependent perovskite morphologies resulted in varied charge carrier transfer properties throughout the mp-TiO2/CH3NH3PbI3/HTM hybrid, as illustrated by photoluminescence measurement. Furthermore, the effect of CH3NH3PbI3 morphology on light absorption and interfacial properties is investigated and correlated with the photovoltaic performance of PSCs.

  10. CH3NH3PbI3 grain growth and interfacial properties in meso-structured perovskite solar cells fabricated by two-step deposition

    PubMed Central

    Yao, Zhibo; Wang, Wenli; Shen, Heping; Zhang, Ye; Luo, Qiang; Yin, Xuewen; Dai, Xuezeng; Li, Jianbao; Lin, Hong

    2017-01-01

    Abstract Although the two-step deposition (TSD) method is widely adopted for the high performance perovskite solar cells (PSCs), the CH3NH3PbI3 perovskite crystal growth mechanism during the TSD process and the photo-generated charge recombination dynamics in the mesoporous-TiO2 (mp-TiO2)/CH3NH3PbI3/hole transporting material (HTM) system remains unexploited. Herein, we modified the concentration of PbI2 (C (PbI2)) solution to control the perovskite crystal properties, and observed an abnormal CH3NH3PbI3 grain growth phenomenon atop mesoporous TiO2 film. To illustrate this abnormal grain growth mechanism, we propose that a grain ripening process is taking place during the transformation from PbI2 to CH3NH3PbI3, and discuss the PbI2 nuclei morphology, perovskite grain growing stage, as well as Pb:I atomic ratio difference among CH3NH3PbI3 grains with different morphology. These C (PbI2)-dependent perovskite morphologies resulted in varied charge carrier transfer properties throughout the mp-TiO2/CH3NH3PbI3/HTM hybrid, as illustrated by photoluminescence measurement. Furthermore, the effect of CH3NH3PbI3 morphology on light absorption and interfacial properties is investigated and correlated with the photovoltaic performance of PSCs. PMID:28458747

  11. Application of Cavity-ring Down Spectroscopy to Quantify NH3 Fluxes from Fertilizer Application in the Midwestern U.S.

    NASA Astrophysics Data System (ADS)

    Caldwell, J. A.; Sibble, D.; Heuer, M.; Johnson, E.; Rood, M. J.; Koloutsou-Vakakis, S.; Myles, L.

    2014-12-01

    Ammonia (NH3) emissions from managed agriculture in the Midwestern region of the U.S. contribute to increased levels of particulate matter in the atmosphere and detrimental ecological changes. To better understand the exchange of ammonia between the atmosphere and biosphere and identify the drivers of these processes, measurements of NH3 flux were conducted over a 200 m2 fertilized maize field in Illinois. A flux-gradient system paired with a cavity-ring down spectrometer measured fluxes from pre-cultivation through senescence of the crop. The use of a custom automated exchange mechanism allowed for continuous sampling, both above-canopy and in-canopy. Results indicated diurnal cycling of NH3 with higher concentrations in the early afternoon, although the pattern was not consistent. As expected, fertilization of the field at planting produced a marked increase in NH3 emission from the field.

  12. Evaluation of a regional air-quality model with bidirectional NH3 exchange coupled to an agroecosystem model

    NASA Astrophysics Data System (ADS)

    Bash, J. O.; Cooter, E. J.; Dennis, R. L.; Walker, J. T.; Pleim, J. E.

    2013-03-01

    Atmospheric ammonia (NH3) is the primary atmospheric base and an important precursor for inorganic particulate matter and when deposited NH3 contributes to surface water eutrophication, soil acidification and decline in species biodiversity. Flux measurements indicate that the air-surface exchange of NH3 is bidirectional. However, the effects of bidirectional exchange, soil biogeochemistry and human activity are not parameterized in air quality models. The US Environmental Protection Agency's (EPA) Community Multiscale Air-Quality (CMAQ) model with bidirectional NH3 exchange has been coupled with the United States Department of Agriculture's (USDA) Environmental Policy Integrated Climate (EPIC) agroecosystem model. The coupled CMAQ-EPIC model relies on EPIC fertilization timing, rate and composition while CMAQ models the soil ammonium (NH4+) pool by conserving the ammonium mass due to fertilization, evasion, deposition, and nitrification processes. This mechanistically coupled modeling system reduced the biases and error in NHx (NH3 + NH4+) wet deposition and in ambient aerosol concentrations in an annual 2002 Continental US (CONUS) domain simulation when compared to a 2002 annual simulation of CMAQ without bidirectional exchange. Fertilizer emissions estimated in CMAQ 5.0 with bidirectional exchange exhibits markedly different seasonal dynamics than the US EPA's National Emissions Inventory (NEI), with lower emissions in the spring and fall and higher emissions in July.

  13. Preformance Analysis of NH3-H2O Absorption Cycle

    NASA Astrophysics Data System (ADS)

    Tsujimori, Atsushi; Ozaki, Eiichi

    Different from H2O-LiBr absorption cycle, it is necessary to have rectifier between generator and condenser in NH3-H2O absorption cycle, because there mixes some steam in refrigerant vapor in the process of regenerating refrigerant from the ammonia strong aqueous solution. And in some case ex. partial load or heating, the efficiency of rectifier might decrease, if the flow rate of refrigerant vapor and ammonia aqueous solution decrease. As a result, steam flow into condenser with ammonia refrigerant vapor, which reduces cycle COPs of cooling and heating. Accordingly in order to evaluate the effect of ammonia concentration in refrigerant for the performance of NH3-H2O absorption heat pump, the simple design approach of modeling condenser and evaporator is introduced in this paper. In the model, the calculation of heat rate in condenser and evaporator was simplified considering the characteristic of NH3-H2O liquid-vapor equilibrium. Then the simulation for cycle perforance based on GAX absorption cycle was made using the efficiency of rectifier that established the ammonia concentration in refrigerant and it was derived that 3 [%] decrease of ammonia concentration in refrigerant induced 15 [%] decrcase of cooling COP and 7 [%] decrease of heating COP and that there existed the most suitable circulation ratio for each ammonia concentration in refrigerant.

  14. Optimizing the crystallinity and acidity of H-SAPO-34 by fluoride for synthesizing Cu/SAPO-34 NH3-SCR catalyst.

    PubMed

    Ma, Jing; Si, Zhichun; Wu, Xiaodong; Weng, Duan; Ma, Yue

    2016-03-01

    A series of H-SAPO-34 zeolites were synthesized by a hydrothermal method in fluoride media. The as-synthesized H-SAPO-34 zeolites were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), N2 physisorption, temperature-programmed desorption of NH3 (NH3-TPD) and nuclear magnetic resonance (NMR) measurements. The results showed that a certain concentration of F(-) anions promoted the nucleation and crystallization of H-SAPO-34. The H-SAPO-34 synthesized in the fluoride media showed high crystallinity, uniform particle size distribution, large specific surface area and pore volume, and enhanced acidity. Therefore, Cu/SAPO-34 based on the fluoride-assisted zeolite showed a broadened temperature window for the selective catalytic reduction of NO by NH3 (NH3-SCR) reaction due to the enhanced acidity of the zeolite and the improved dispersion of copper species.

  15. Excited State Processes for Aqueous Rh(NH3)5Cl(2+) and Rh(NH3)5Br(2+).

    DTIC Science & Technology

    1981-04-10

    white precipitate of Rh(NH3)5(H20)) Br3 was collected and dried overnight at 110-0 C. The resulting yellow product was recrystallized from water/HClO4 to...aquation. In all cases, product concentrations were corrected for the usually small degree of dark or thermal reaction. Pulsed Laser Experiments. The...direct photochemical production . According to Palmer and Harris [16] the reaction Rh(NH 3)5(OH) 2+ + C02(aq) = Rh(NH 3)5(Co3) + + H+ occurs with a rate

  16. Advanced ammonia (NH3) monitoring system for industrial applications

    NASA Astrophysics Data System (ADS)

    Spector, Oded; Jacobson, Esther

    1999-12-01

    The present paper describes an Electro-Optical Monitoring System developed for the real time in-situ monitoring of Ammonia (NH3) emissions, at very low concentrations in air, well below the hazardous levels. Ammonia is the starting chemical for almost all industrially produced nitrogen compounds and is therefore one of the most important inorganic raw materials. Due to its unique chemical and physical characteristics, the Ammonia (NH3) anhydrous gas is used in various industrial applications such as: Air Conditioning, Refrigeration (including space shuttles), Agriculture and Chemical Processing. NH3 gas, being a highly irritant toxic and flammable gas with a pungent odor detectable by human perception at 53 ppm, has a TLV-TWA of 25 ppm (TLV-STEL of 35 ppm) and a lower explosive limit (LEL) of 15% in air. Being extremely corrosive and irritating to the skin, eyes, nose and respiratory tract, (irritation begins at 130 - 200 ppm), exposures to high concentrations (above 2500 ppm) are life threatening, thus early detection of Ammonia at concentrations up to 50 ppm is essential to prevent its toxic influence. Existing detection methods for NH3 rely mainly on chemical sensors and analytical methods that require the gas to be sampled and introduced into the detection system via a probe, compared to various standards (for determining the concentration) and the result is not always reflecting the actual gas concentration. The emerging optical open path remote sensing technology that analyzes the specific 'finger print' absorption characteristics of NH3 in various narrow spectral bands, specifically in the UV solar blind band, is discussed including the rationale of the detection algorithm and system design. The system offers warning and alarm signals set at the above low concentration detection sensitivity, (10 - 50 ppm(DOT)m) thus providing reliable Ammonia detection over an air path from 3 (including air-duct applications) to 400 ft (1 - 120 m). Typical installations of

  17. The international research progress of Ammonia(NH3) emissions and emissions reduction technology in farmland ecosystem

    NASA Astrophysics Data System (ADS)

    Yang, W. Z.; Jiao, Y.

    2017-03-01

    NH3 is the important factor leading to the grey haze, and one of the main causes of environmental problems of serious ecological imbalance, such as acid rain and air quality deterioration. The fertilizer excessive application of the current farmland results NH3 emissions intensity greatly. In order to clear the farmland NH3 emissions research status and achievements, the literature of farmland NH3 emission related were retrievaled by the SCI journals and Chinese science citation database. Some factors of NH3 emission were analyzed such as soil factors, climate factors and farmland management measures. The research progress was inductived on farmland NH3 emission reduction technology. The results will help to clarify farmland NH3 emissions research progress. The theoretical guidance was provided on the future of farmland NH3 emissions research.

  18. Ab Initio Calculation of NH_3 Spectrum

    NASA Astrophysics Data System (ADS)

    Polyansky, Oleg; Ovsyannikov, Roman I.; Kyuberis, Aleksandra; Lodi, Lorenzo; Tennyson, Jonathan; Yurchenko, Sergei N.; Yachmenev, Andrey; Zobov, Nikolay Fedorovich

    2016-06-01

    An ab initio potential energy surface (PES) for NH_3 is computed using the methodology pioneered for water (Polyansky et al. J. Phys. Chem. A, 117, 9633 (2013)). A multireference configuration calclulations are performed at 50000 points using quadruple and 5z basis sets to give a complete basis set (CBS) extrapolation. Relativistic and adiabatic surfaces are also computed. The points are fitted to an analytical PES. The rovibrational energy levels are computed using the program TROVE in both linearized and curvilinear coordinates. Better convergence is obtained for the higher energy levels using curvilinear coordinates: an accuracy of about 1 wn is achieved for the levels up to 12 000 wn. The levels up to 18 000 wn are reproduced with the accuracy of a few wn. These results are used to assign the visible spectrum of 14NH_3 recorded by Coy and Lehmann (J. Chem. Phys., 84, 5239 (1988)). Predicted rovibrational levels for NH_2D, NHD_2, ND_3 and 15NH_3 are given.

  19. The influence of leaf-atmosphere NH3(g ) exchange on the isotopic composition of nitrogen in plants and the atmosphere.

    PubMed

    Johnson, Jennifer E; Berry, Joseph A

    2013-10-01

    The distribution of nitrogen isotopes in the biosphere has the potential to offer insights into the past, present and future of the nitrogen cycle, but it is challenging to unravel the processes controlling patterns of mixing and fractionation. We present a mathematical model describing a previously overlooked process: nitrogen isotope fractionation during leaf-atmosphere NH3(g ) exchange. The model predicts that when leaf-atmosphere exchange of NH3(g ) occurs in a closed system, the atmospheric reservoir of NH3(g ) equilibrates at a concentration equal to the ammonia compensation point and an isotopic composition 8.1‰ lighter than nitrogen in protein. In an open system, when atmospheric concentrations of NH3(g ) fall below or rise above the compensation point, protein can be isotopically enriched by net efflux of NH3(g ) or depleted by net uptake. Comparison of model output with existing measurements in the literature suggests that this process contributes to variation in the isotopic composition of nitrogen in plants as well as NH3(g ) in the atmosphere, and should be considered in future analyses of nitrogen isotope circulation. The matrix-based modelling approach that is introduced may be useful for quantifying isotope dynamics in other complex systems that can be described by first-order kinetics. © 2013 John Wiley & Sons Ltd.

  20. Birefringence Imaging Measurements on Various Structural Phase Transitions in (CnH2n+1NH3)2MnCl4 with n = 1, 2, and 3 Using Multiple Wavelengths

    NASA Astrophysics Data System (ADS)

    Manaka, Hirotaka; Fukuda, Takumi; Miura, Yoko

    2016-12-01

    Birefringence imaging microscopy is well suited for comprehensively investigating various structural phase transitions but its weak point is that it imposes an inherent limit on the maximum retardance that can be detected. To detect retardance above this limit, we performed simultaneous birefringence measurements at multiple wavelengths on (CnH2n+1NH3)2MnCl4 with n = 1,2,3. For n = 1, we successfully detected large jumps in retardance (over six times greater than the limit) in the first-order phase transitions at Tc1 ≃ 88 K and Tc2 ≃ 251 K. For n = 2, a gradual change in retardance appears in the second-order phase transition at Tc = 214 K. High-definition images of optical fast-axis azimuths provided information on the misorientation of the alkylammonium chains. For n = 3, a retardance kink appears at Tc4 ≃ 152-155 K, and a retardance jump appears in the commensurate-incommensurate phase transition at Tc5 ≃ 96-99 K.

  1. Hydrothermal synthesis and NH3 gas sensing property of WO3 nanorods at low temperature

    NASA Astrophysics Data System (ADS)

    Dien Nguyen, Dac; Vuong Dang, Duc; Chien Nguyen, Duc

    2015-09-01

    One-dimensional self-assembled single-crystalline hexagonal tungsten trioxide (WO3) nanostructures were synthesized by wet chemical-assisted hydrothermal processing at 120 °C for 24 h using sodium tungstate and hydrochloric acid. Urchin-like hierarchical nanorods (petal size: ∼16 nm diameter and 110 nm length) were obtained. The samples were characterized by field emission scanning electron microscopy, transmission electron microscopy, energy dispersive x-ray spectroscopy and x-ray diffraction. Sensors based on WO3 nanorods were fabricated by coating them on SiO2/Si substrate attached with Pt interdigitated electrodes. NH3 gas-sensing properties of WO3 nanorods were measured at different temperatures ranging from 50 °C to 350 °C and the response was evaluated as a function of ammonia gas concentration. The gas-sensing results reveal that WO3 nanorods sensor exhibits high sensitivity and selectivity to NH3 at low operating temperature (50 °C). The maximum response reached at 50 °C was 192 for 250 ppm NH3, with response and recovery times of 10 min and 2 min, respectively.

  2. Ultrafast and sensitive room temperature NH3 gas sensors based on chemically reduced graphene oxide.

    PubMed

    Hu, Nantao; Yang, Zhi; Wang, Yanyan; Zhang, Liling; Wang, Ying; Huang, Xiaolu; Wei, Hao; Wei, Liangmin; Zhang, Yafei

    2014-01-17

    Ultrafast and sensitive room temperature NH3 gas sensors based on chemically reduced graphene oxide (rGO) are demonstrated in this work. rGO, which was prepared via the reduction of graphene oxide by pyrrole, exhibited excellent responsive sensitivity and selectivity to ammonia (NH3) gas. The high sensing performance of these rGO sensors with resistance change as high as 2.4% and response time as fast as 1.4 s was realized when the concentration of NH3 gas was as low as 1 ppb. Furthermore, the rGO sensors could rapidly recover to their initial states with IR illumination. The devices also showed excellent repeatability and selectivity to NH3. These rGO sensors, with low cost, low power, and easy fabrication, as well as scalable properties, showed great potential for ultrasensitive detection of NH3 gas in a wide variety of fields.

  3. Performance Analysis of Rectifier in NH3-H2O Absorprtion Heat Pump

    NASA Astrophysics Data System (ADS)

    Tsujimori, Atsushi; Ozaki, Eiichi; Nakao, Kazushige

    It is necessary to have rectifier in NH3-H20 absorption cycle in order to remove steam from ammonia and steam mixed vapor that is regenerated in generator. Although many studies have made to investigate the performance of rectifier using various fluids experimentally, few theoretical analysis has made without any constant from experimental data. In this study in order to investigate the characteristic of rectifying process, experimental and analytical approach was made concerning plate-type rectifier. In the experiment, the effect of vapor flow rate and NH3 mass concentration of solution on rectifying performance were investigated. And in the analysis the model of heat and mass transfer was proposed considering the distribution of mass concentration in boundary layer. As a result it was found that NH3 mass concentration at rectifier outlet slightly decreased as vapor flow rate increased and that the model could predict NH3 mass concentration in outlet vapor for various concentration in solution.

  4. Photolysis of solid NH3 and NH3-H2O mixtures at 193 nm

    NASA Astrophysics Data System (ADS)

    Loeffler, M. J.; Baragiola, R. A.

    2010-12-01

    We have studied UV photolysis of solid ammonia and ammonia-dihydrate samples at 40 K, using infrared spectroscopy, mass spectrometry, and microgravimetry. We have shown that in the pure NH3 sample, the main species ejected are NH3, H2, and N2, where the hydrogen and nitrogen increase with laser fluence. This increase in N2 ejection with laser fluence explains the increase in mass loss rate detected by a microbalance. In contrast, for the ammonia-water mixture, we see very weak signals of H2 and N2 in the mass spectrometer, consistent with the very small mass loss during the experiment and with a <5% decrease in the NH3 infrared absorption bands spectroscopy after a fluence of ˜3 × 1019 photons/cm2. The results imply that ammonia-ice mixtures in the outer solar system are relatively stable under solar irradiation.

  5. Crystal structure of [UO2(NH3)5]NO3·NH3

    PubMed Central

    Woidy, Patrick; Kraus, Florian

    2016-01-01

    Penta­ammine dioxide uranium(V) nitrate ammonia (1/1), [UO2(NH3)5]NO3·NH3, was obtained in the form of yellow crystals from the reaction of caesium uranyl nitrate, Cs[UO2(NO3)3], and uranium tetra­fluoride, UF4, in dry liquid ammonia. The [UO2]+ cation is coordinated by five ammine ligands. The resulting [UO2(NH3)5] coordination polyhedron is best described as a penta­gonal bipyramid with the O atoms forming the apices. In the crystal, numerous N—H⋯N and N—H⋯O hydrogen bonds are present between the cation, anion and solvent mol­ecules, leading to a three-dimensional network. PMID:27980813

  6. Assessment on ground-level nitrogen dioxide (NO2) and ammonia (NH3) at secondary forest of Mata Ayer and Kangar, Perlis

    NASA Astrophysics Data System (ADS)

    Abdullah, Nadiah Syafiqah; Kamarudin, Latifah Munirah; Hamidin, Nasrul; Zakaria, Ammar; Gunasagaran, Rajeshkumar; Shakaff, Ali Yeon Md.

    2017-03-01

    The current ground-level concentrations of nitrogen dioxide (NO2) and ammonia (NH3) within forests in Perlis are unknown and hardly investigated. The continual infrastructure development of Perlis and human activities may have played a major role in contributing to the decline of air quality in Perlis. Nitrogen-based trace gases may cause environmental effects while they are airborne or deposited on the ground. Due to the uncertainty of nitrogen trace gases level, this study was conducted to investigate the NO2 and NH3 concentrations within Mata Ayer secondary forest and Kangar. A portable gas monitor-sensor (Aeroqual Series 500) was used to assess the ground-level NO2 and NH3 concentrations, ambient air temperature, and relative humidity. The measurements were conducted in June 2015 between 9:30 am to 4:30 pm. The average NO2 and NH3 concentrations were 0.062 ppm and 0.040 ppm at the secondary forest of Mata Ayer and were found lower than Kangar (0.069 ppm and 0.125 ppm). The ambient air temperature and relative humidity in Kangar were found associated with NO2 (r = -0.420 and r = 0.315) and NH3 (r = -0.423 and r = 0.496). However, this was not the case at Mata Ayer secondary forest. The results indicated that human activities may have influenced the quality of ambient air in Perlis.

  7. Awaruite and Tetrataenite Driven NH3 Synthesis

    NASA Astrophysics Data System (ADS)

    Li, B.; Lemke, K.

    2015-12-01

    The deep biosphere hypothesis postulates that life emerged from a hydrothermal system beginning with small molecules such as CO2, N2, H2, CO, and CS2. (M. J. Russell, A. J Hall, and W. Martin, Geobiology, 2010, 8, 355). Key catalysts/surfaces at the ocean crust boundary would have interacted with these dissolved gases, giving rise to larger biomolecules and ultimately life. Among the catalysts found at present in hydrothermal system, Ni3Fe (Awaruite) and NiFe (Tetrataenite) stand out because they convert simple di and triatomic molecules to more complex structures; for example, Awaruite has been shown to produce NH3 from hydrogen and nitrogen precursors (Alexander Smirnov, Douglas Hausner, Richard Laffers, Daniel R Strongin, and Marton AA Schoonen, Geochemical Transactions, 2008, 9:5). The goal of this study is to examine the role of iron nickel clusters with Awaruite and Tetrataenite stoichiometries in converting atomic nitrogen and hydrogen to ammonia. Using a basin-hopping algorithmic procedure, the global minima of Awaruite and Tetrataenite clusters with up to 35 atoms have been identified along with their affinity to nitrogen and hydrogen attachment has been examined (i.e. atom position, cluster edges, and surface sites). Preliminary results indicate that atomic nitrogen attaches onto mixed iron nickel cluster surface sites, with distinct discontinuities in the binding energy profile at magic cluster number positions. We also studied the effects of cluster composition on the affinity of nitrogen and hydrogen to attach to Ni13-xFex with up to x=13. These results, for both scenarios (size and compositional variation), indicate that nano-sized iron-nickel clusters would drive the initial transformation of nitrogen and hydrogen toward NH3, with important implications for the chemistry of Earth's early atmosphere.

  8. Galvanic deposition of Rh and Ru on randomly structured Ti felts for the electrochemical NH3 synthesis.

    PubMed

    Kugler, Kurt; Luhn, Mareike; Schramm, Jean André; Rahimi, Khosrow; Wessling, Matthias

    2015-02-07

    Nowadays NH3 is exclusively synthesized by the Haber process. Unfortunately, the energy demand and the CO2 emissions due to H2 production are high. Hydrogen production utilizes precious carbon sources such as coal and natural gas. In the past we proposed an alternative process concept using a membrane electrode assembly in an electrochemical membrane reactor (ecMR). At the anode H2O is oxidized at an IrMMO catalyst to form protons. By applying an external potential to the ecMR N2 is reduced to NH3 at the cathode. Just recently Rh and Ru were identified as possible cathodic electrocatalysts by DFT calculations. We present an easy and highly efficient method for galvanic coatings of Rh and Ru on randomly structured Ti felts to be used in a membrane electrode assembly. Linear sweep voltammetry measurements give a slightly higher activity of Ru for the liquid phase electrochemical NH3 synthesis. The NH4(+) concentration reached is 8 times higher for Ru than for Rh. From an economical point of view, Ru is also more feasible for an electrochemical NH3 synthesis process. Such electrodes can now be evaluated in an ecMR in comparison to recently demonstrated Ti-based electrodes.

  9. Photosynthesis of Quercus suber is affected by atmospheric NH3 generated by multifunctional agrosystems.

    PubMed

    Pintó-Marijuan, Marta; Da Silva, Anabela Bernardes; Flexas, Jaume; Dias, Teresa; Zarrouk, Olfa; Martins-Loução, Maria Amélia; Chaves, Maria Manuela; Cruz, Cristina

    2013-12-01

    Montados are evergreen oak woodlands dominated by Quercus species, which are considered to be key to biodiversity conservation and ecosystem services. This ecosystem is often used for cattle breeding in most regions of the Iberian Peninsula, which causes plants to receive extra nitrogen as ammonia (NH(3)) through the atmosphere. The effect of this atmospheric NH(3) (NH(3atm)) on ecosystems is still under discussion. This study aimed to evaluate the effects of an NH(3atm) concentration gradient downwind of a cattle barn in a Montado area. Leaves from the selected Quercus suber L. trees along the gradient showed a clear influence of the NH(3) on δ(13)C, as a consequence of a strong limitation on the photosynthetic machinery by a reduction of both stomatal and mesophyll conductance. A detailed study of the impact of NH(3atm) on the photosynthetic performance of Q. suber trees is presented, and new mechanisms by which NH(3) affects photosynthesis at the leaf level are suggested.

  10. NH3 Emission from Fertilizer Application: A Collaborative Study in the Midwestern U.S.

    NASA Astrophysics Data System (ADS)

    Myles, L.; Koloutsou-Vakakis, S.; Bernacchi, C.; Lehmann, C.; Saylor, R. D.; Heuer, M.; Sibble, D.; Caldwell, J. A.; Balasubramanian, S.; Nelson, A. J.; Rood, M. J.

    2014-12-01

    Atmospheric ammonia (NH3) is a precursor for secondary particulate matter and a contributor to soil acidification and eutrophication when deposited to land and surface waters. Fertilizer application is a major source of atmospheric NH3, particularly in intensive agricultural regions such as the Midwestern U.S. Quantification of NH3 emission from fertilized crops remains highly uncertain, which limits the representativeness of NH3 emissions that are used in air quality models. A collaborative study to improve understanding of NH3 emission from fertilizer application focused on [1] measurement of above-canopy NH3 fluxes from a fertilized corn field in Illinois using the relaxed eddy accumulation (REA) and flux gradient methods and in-canopy fluxes with the inverse Lagrangian dispersion analysis method, [2] estimation of NH3 emissions at the regional scale using a process-based approach with available archived independent variables, and the currently used top-down approach, in order to compare and determine differences in predicted spatial and temporal variability of NH3 emissions, and [3] performance of spatial analysis to determine spatial and temporal patterns of ammonia emissions and relate them to independent variables characteristic of land use, soil, meteorology, and agricultural management practices. NH3 flux was measured over and within a maize canopy from pre-cultivation through senescence (May-September 2014) at the University of Illinois at Urbana-Champaign (UIUC) Energy Biosciences Institute Energy Farm, and data from the field study was incorporated into models to facilitate connection of local emissions with the regional scale and to improve understanding of the processes that drive emission and deposition.

  11. Exploring and rationalising effective n-doping of large area CVD-graphene by NH3.

    PubMed

    Bianco, G V; Losurdo, M; Giangregorio, M M; Capezzuto, P; Bruno, G

    2014-02-28

    Despite the large number of papers on the NH3 doping of graphene, the achievement of stable n-doped large area CVD (chemical vapor deposition) graphene, which is intrinsically p-doped, is still challenging. A control of the NH3 chemisorption and of the N-bond configuration is still needed. The feasibility of a room temperature high pressure NH3 treatment of CVD graphene to achieve n-type doping is shown here. We use and correlate data for (a) sheet resistance, R(sh), and the Hall coefficient, R(H), in van der Pauw configuration, acquired in real time during the NH3 doping of CVD-graphene on a glass substrate, (b) optical measurements of the effect of doping on the graphene Van Hove singularity point at 4.6 eV in the dielectric function spectra by spectroscopic ellipsometry, and of (c) N-bond configuration by XPS to better understand and, finally, control the NH3 doping of graphene. The discussion is focused on the thermal and time stability of the n-doping after air exposure. A chemical rationale is provided for the NH3 n-doping based on the interaction of (i) NH3 with intrinsic oxygen functionalities and defects of CVD graphene and of (ii) C-NH2 doping centers with acceptor species present in the air.

  12. A study of the adsorption of NH 3 and SO 2 on leaf surfaces

    NASA Astrophysics Data System (ADS)

    Van Hove, L. W. A.; Adema, E. H.; Vredenberg, W. J.; Pieters, G. A.

    The adsorption of NH 3 and SO 2 on the external leaf surface of bean ( Phaseolus vulgaris L.) and poplar ( Populus euramericana L.) was studied. The adsorbed quantities increased strongly with increasing air humidity, indicating that water on the leaf surface plays a major role in the interaction of these gases with the leaf surface. On the other hand temperature in the range between 15 and 26°C had no significant influence. The adsorbed quantities of NH 3 at a specific air humidity appeared to be proportional to NH 3 concentration. This proportionality was less clear for SO 2. The affinity of SO 2 for the leaf surface was found to be approximately twice that of NH 3. A mixture of these gases in the air mutually stimulated their adsorption on the leaf. No significant desorption or uptake of these gases through the cuticle could be detected, indicating that the bulk of the adsorbed gases remains associated with the cuticle.

  13. Porphyrin molecules boost the sensitivity of epitaxial graphene for NH3 detection

    NASA Astrophysics Data System (ADS)

    Iezhokin, I.; den Boer, D.; Offermans, P.; Ridene, M.; Elemans, J. A. A. W.; Adriaans, G. P.; Flipse, C. F. J.

    2017-02-01

    The sensitivity of quasi-free standing epitaxial graphene for NH3 detection is strongly enhanced by chemical functionalization with cobalt porphyrins resulting in a detection limit well below 100 ppb. Hybridization between NH3 and cobalt porphyrins induces a charge transfer to graphene and results in a shift of the graphene Fermi-level as detected by Hall measurements and theoretically explained by electronic structure calculations.

  14. Phase transition, thermal dissociation and dynamics of NH3 ligands in [Cd(NH3)4](ReO4)2

    NASA Astrophysics Data System (ADS)

    Hetmańczyk, Łukasz; Hetmańczyk, Joanna

    2016-07-01

    High temperature phase transition in [Cd(NH3)4](ReO4)2 at Tc = 368.5 K (on heating) was reported for the first time. Thermal stability was investigated by thermal analysis methods. The titled compound decomposes in three main stages. The first two are connected with deamination process whereas in the last step Re2O7 evaporates. The activation energy for NH3 lost processes was estimated from TG measurements. The dynamics of NH3 ligands in the low temperature phase was probed by various complementary techniques. Temperature dependent band shape analysis of properly chosen infrared and Raman scattering vibrational bands was performed. It was found that activation energy for NH3 reorientational motion (below 300 K) is rather small and is equal to ca. 4 kJ mol- 1. The quasielastic neutron scattering measurements revealed that NH3 groups perform fast stochastic reorientational motion even in the low temperatures. The neutron and X-ray powder diffraction data do not revealed any drastic changes in the crystal structure in the wide temperature range.

  15. Influence of bulking agents on CH4, N2O, and NH3 emissions during rapid composting of pig manure from the Chinese Ganqinfen system*

    PubMed Central

    Sun, Xiang-ping; Lu, Peng; Jiang, Tao; Schuchardt, Frank; Li, Guo-xue

    2014-01-01

    Mismanagement of the composting process can result in emissions of CH4, N2O, and NH3, which have caused severe environmental problems. This study was aimed at determining whether CH4, N2O, and NH3 emissions from composting are affected by bulking agents during rapid composting of pig manure from the Chinese Ganqinfen system. Three bulking agents, corn stalks, spent mushroom compost, and sawdust, were used in composting with pig manure in 60 L reactors with forced aeration for more than a month. Gas emissions were measured continuously, and detailed gas emission patterns were obtained. Concentrations of NH3 and N2O from the composting pig manure mixed with corn stalks or sawdust were higher than those from the spent mushroom compost treatment, especially the sawdust treatment, which had the highest total nitrogen loss among the three runs. Most of the nitrogen was lost in the form of NH3, which accounts for 11.16% to 35.69% of the initial nitrogen. One-way analysis of variance for NH3 emission showed no significant differences between the corn stalk and sawdust treatments, but a significant difference was noted between the spent mushroom compost and sawdust treatments. The introduction of sawdust reduced CH4 emission more than the corn stalks and spent mushroom compost. However, there were no significant differences among the three runs for total carbon loss. All treatments were matured after 30 d. PMID:24711356

  16. Effects of NO2 and NH3 from road traffic on epiphytic lichens.

    PubMed

    Frati, L; Caprasecca, E; Santoni, S; Gaggi, C; Guttova, A; Gaudino, S; Pati, A; Rosamilia, S; Pirintsos, S A; Loppi, S

    2006-07-01

    The results of a survey aimed at investigating whether NO2 and NH3 emitted by road traffic can influence lichen diversity, lichen vitality and the accumulation of nitrogen in lichen thalli are reported. For this purpose, distance from a highway in a rural environment of central Italy was regarded as the main parameter to check this hypothesis. The results of the present survey indicated that road traffic is not a relevant source of NH3. On the other hand, NO2 concentrations, although rather low, were negatively correlated with distance from the highway according to a typical logarithmic function. No association between NO2 concentrations and the diversity of epiphytic lichens was found, probably because of the low NO2 values measured. Also bark properties were not influenced by distance from the highway. Accumulation of nitrogen, reduction in the content of chlorophyll a, chlorophyll b and total carotenoids were found in transplanted thalli of Evernia prunastri, but NO2 was not responsible for these changes, which were probably caused by applications of N-based fertilizers.

  17. Effect of alum additions to poultry litter on in-house ammonia and greenhouse gas concentrations and emissions

    USDA-ARS?s Scientific Manuscript database

    Alum (Al2(SO4)3 •14H2O) additions to poultry litter have been shown to reduce ammonia (NH3) concentrations in poultry houses and NH3 fluxes from litter; however, continuous, accurate measurements of in-house NH3 concentrations and emissions from alum-treated and untreated commercial poultry houses i...

  18. Quantifying Uncertainty in Daily Temporal Variations of Atmospheric NH3 Emissions Following Application of Chemical Fertilizers

    NASA Astrophysics Data System (ADS)

    Balasubramanian, S.; Koloutsou-Vakakis, S.; Rood, M. J.

    2014-12-01

    Improving modeling predictions of atmospheric particulate matter and deposition of reactive nitrogen requires representative emission inventories of precursor species, such as ammonia (NH3). Anthropogenic NH3 is primarily emitted to the atmosphere from agricultural sources (80-90%) with dominant contributions (56%) from chemical fertilizer usage (CFU) in regions like Midwest USA. Local crop management practices vary spatially and temporally, which influence regional air quality. To model the impact of CFU, NH3 emission inputs to chemical transport models are obtained from the National Emission Inventory (NEI). NH3 emissions from CFU are typically estimated by combining annual fertilizer sales data with emission factors. The Sparse Matrix Operator Kernel Emissions (SMOKE) model is used to disaggregate annual emissions to hourly scale using temporal factors. These factors are estimated by apportioning emissions within each crop season in proportion to the nitrogen applied and time-averaged to the hourly scale. Such approach does not reflect influence of CFU for different crops and local weather and soil conditions. This study provides an alternate approach for estimating temporal factors for NH3 emissions. The DeNitrification DeComposition (DNDC) model was used to estimate daily variations in NH3 emissions from CFU at 14 Central Illinois locations for 2002-2011. Weather, crop and soil data were provided as inputs. A method was developed to estimate site level CFU by combining planting and harvesting dates, nitrogen management and fertilizer sales data. DNDC results indicated that annual NH3 emissions were within ±15% of SMOKE estimates. Daily modeled emissions across 10 years followed similar distributions but varied in magnitudes within ±20%. Individual emission peaks on days after CFU were 2.5-8 times greater as compared to existing estimates from SMOKE. By identifying the episodic nature of NH3 emissions from CFU, this study is expected to provide improvements

  19. Parameters for Estimation of Casualties from Ammonia (NH3), Tabun (GA), Soman (GD),Cyclosarin (GF) and Lewisite (L)

    DTIC Science & Technology

    2015-09-01

    respiratory tract. Increased lacrimation and respiratory rate, coughing , and respiratory distress may occur. The retention of NH3 at low concentrations in the...Levels with NH3 Symptom Sets Injury Severity Level Set of Symptoms 0 No observable symptoms 1 (Mild) Mild eye irritation, rhinorrhea, cough ... cough , pharyngitis, laryngitis, moder- ate throat irritation 3 (Severe) Corneal ulcerations, iritis, anterior and posterior synechia, corneal

  20. The CU mobile Solar Occultation Flux instrument: structure functions and emission rates of NH3, NO2 and C2H6

    NASA Astrophysics Data System (ADS)

    Kille, Natalie; Baidar, Sunil; Handley, Philip; Ortega, Ivan; Sinreich, Roman; Cooper, Owen R.; Hase, Frank; Hannigan, James W.; Pfister, Gabriele; Volkamer, Rainer

    2017-02-01

    We describe the University of Colorado mobile Solar Occultation Flux instrument (CU mobile SOF). The instrument consists of a digital mobile solar tracker that is coupled to a Fourier transform spectrometer (FTS) of 0.5 cm-1 resolution and a UV-visible spectrometer (UV-vis) of 0.55 nm resolution. The instrument is used to simultaneously measure the absorption of ammonia (NH3), ethane (C2H6) and nitrogen dioxide (NO2) along the direct solar beam from a moving laboratory. These direct-sun observations provide high photon flux and enable measurements of vertical column densities (VCDs) with geometric air mass factors, high temporal resolution of 2 s and spatial resolution of 5-19 m. It is shown that the instrument line shape (ILS) of the FTS is independent of the azimuth and elevation angle pointing of the solar tracker. Further, collocated measurements next to a high-resolution FTS at the National Center for Atmospheric Research (HR-NCAR-FTS) show that the CU mobile SOF measurements of NH3 and C2H6 are precise and accurate; the VCD error at high signal to noise ratio is 2-7 %. During the Front Range Air Pollution and Photochemistry Experiment (FRAPPE) from 21 July to 3 September 2014 in Colorado, the CU mobile SOF instrument measured median (minimum, maximum) VCDs of 4.3 (0.5, 45) × 1016 molecules cm-2 NH3, 0.30 (0.06, 2.23) × 1016 molecules cm-2 NO2 and 3.5 (1.5, 7.7) × 1016 molecules cm-2 C2H6. All gases were detected in larger 95 % of the spectra recorded in urban, semi-polluted rural and remote rural areas of the Colorado Front Range. We calculate structure functions based on VCDs, which describe the variability of a gas column over distance, and find the largest variability for NH3. The structure functions suggest that currently available satellites resolve about 10 % of the observed NH3 and NO2 VCD variability in the study area. We further quantify the trace gas emission fluxes of NH3 and C2H6 and production rates of NO2 from concentrated animal feeding

  1. Dynamics of gas phase Ne(*) + NH3 and Ne(*) + ND3 Penning ionisation at low temperatures.

    PubMed

    Jankunas, Justin; Bertsche, Benjamin; Jachymski, Krzysztof; Hapka, Michał; Osterwalder, Andreas

    2014-06-28

    Two isotopic chemical reactions, Ne(*) + NH3, and Ne(*) + ND3, have been studied at low collision energies by means of a merged beams technique. Partial cross sections have been recorded for the two reactive channels, namely, Ne(*) + NH3 → Ne + NH3(+) + e(-), and Ne(*) + NH3 → Ne + NH2(+) + H + e(-), by detecting the NH3(+) and NH2(+) product ions, respectively. The cross sections for both reactions were found to increase with decreasing collision energy, Ecoll, in the range 8 μeV < Ecoll < 20 meV. The measured rate constant exhibits a curvature in a log(k)-log(Ecoll) plot from which it is concluded that the Langevin capture model does not properly describe the Ne(*) + NH3 reaction in the entire range of collision energies covered here. Calculations based on multichannel quantum defect theory were performed to reproduce and interpret the experimental results. Good agreement was obtained by including long range van der Waals interactions combined with a 6-12 Lennard-Jones potential. The branching ratio between the two reactive channels, Γ = [NH2(+)]/[NH2(+)] + [NH3(+)], is relatively constant, Γ ≈ 0.3, in the entire collision energy range studied here. Possible reasons for this observation are discussed and rationalized in terms of relative time scales of the reactant approach and the molecular rotation. Isotopic differences between the Ne(*) + NH3 and Ne(*) + ND3 reactions are small, as suggested by nearly equal branching ratios and cross sections for the two reactions.

  2. [NH3, N2O, CH4 and CO2 emissions from growing process of caged broilers].

    PubMed

    Zhou, Zhong-Kai; Zhu, Zhi-Ping; Dong, Hong-Min; Chen, Yong-Xing; Shang, Bin

    2013-06-01

    To obtain Ammonia and greenhouse gas (GHG) emission factors of caged broilers, ammonia (NH3), methane (CH4), nitrous oxide (N2O) and carbon dioxide (CO2) emissions of broilers aged 0 d to 42 days were monitored in caged broilers production systems located in Shandong province. Gas concentrations of incoming and exhaust air streams were measured by using INNOVA 1312 multi-gas monitor with multi-channel samplers. Building ventilation rates were determined by on site FANS (Fan Assessment Numeration System) measurement systems. The NH3 emission factors showed a trend of increase at the beginning and then decreased with the broiler ages. The NH3 emission rates were 8.5 to 342.1 mg x (d x bird)(-1) and the average daily emission rate was 137.9 mg x (d x bird)(-1) [48.6 g x (d x AU)(-1)] over the 42-d period. The GHGs emission rates were 19.5-351.9 mg x (d x bird)(-1) with an average of 154.5 mg x (d x bird)(-1) [54.4 g x (d x AU)(-1)] for CH4, and 2.2- 152.9 g x (d x bird)(-10 with an average of 65.9 g x (d x bird)(-1) [23.2 kg x (d x AU)(-1)] for CO2. No emission of N2O was observed. The CH4 and CO2 emission rates increased with the increase of broilers ages. The total NH3 emission over the 42 d growing period averaged (5.65 +/- 1.02) g x (bird x life cycle)(-1). The NH3 emission contribution in different growth phase to the total emission were 33.6% in growth phase 1 (0-17 day, GP1), 36.4% in GP2 (18-27 days), and 29.9% in GP3 (28-42 days), respectively. The NH3 emission in GP2 was significantly higher than emission in GP1 and GP3. CH4 and CO2 cumulative emission rates were (6.30 +/- 0.16) g x (bird(-1) x life cycle)(-1) and (2.68 +/- 0.18) kg x (bird x life cycle)(-1), respectively. The cumulative emission rates of CH4 and CO2 in GP3 were significantly higher than emission rates in GP2 and in GP1, accounting for 50% of total emissions. The results of this study could provide the data support for mitigation of gas emission from broilers production.

  3. Identification of Major Sources of Atmospheric NH3 in an Urban Environment in Northern China During Wintertime.

    PubMed

    Teng, Xiaolin; Hu, Qingjing; Zhang, Leiming; Qi, Jiajia; Shi, Jinhui; Xie, Huan; Gao, Huiwang; Yao, Xiaohong

    2017-06-20

    To assess the relative contributions of traffic emission and other potential sources to high levels of atmospheric ammonia (NH3) in urban areas in the wintertime, atmospheric NH3 and related pollutants were measured at an urban site, ∼300 m from a major traffic road, in northern China in November and December 2015. Hourly average NH3 varied from 0.3 to 10.8 ppb with an average of 2.4 ppb during the campaign. Contrary to the common perspective in literature, traffic emission was demonstrated to be a negligible contributor to atmospheric NH3. Atmospheric NH3 correlated well with ambient water vapor during many time periods lasting from tens of hours to several days, implying NH3 released from water evaporation is an important source. Emissions from local green space inside the urban areas were identified to significantly contribute to the observed atmospheric NH3 during ∼60% of the sampling times. Evaporation of predeposited NHx through wet precipitation combined with emissions from local green space likely caused the spikes of atmospheric NH3 mostly occurring 1-4 h after morning rush hours or after and during slight shower events. There are still ∼30% of the data samples with appreciable NH3 level for which major contributors are yet to be identified.

  4. Movement of NH3 through the human urea transporter B: a new gas channel

    PubMed Central

    Musa-Aziz, Raif; Enkavi, Giray; Mahinthichaichan, P.; Tajkhorshid, Emad; Boron, Walter F.

    2013-01-01

    Aquaporins and Rh proteins can function as gas (CO2 and NH3) channels. The present study explores the urea, H2O, CO2, and NH3 permeability of the human urea transporter B (UT-B) (SLC14A1), expressed in Xenopus oocytes. We monitored urea uptake using [14C]urea and measured osmotic water permeability (Pf) using video microscopy. To obtain a semiquantitative measure of gas permeability, we used microelectrodes to record the maximum transient change in surface pH (ΔpHS) caused by exposing oocytes to 5% CO2/33 mM HCO3− (pHS increase) or 0.5 mM NH3/NH4+ (pHS decrease). UT-B expression increased oocyte permeability to urea by >20-fold, and Pf by 8-fold vs. H2O-injected control oocytes. UT-B expression had no effect on the CO2-induced ΔpHS but doubled the NH3-induced ΔpHS. Phloretin reduced UT-B-dependent urea uptake (Jurea*) by 45%, Pf* by 50%, and (−ΔpHS*)NH3 by 70%. p-Chloromercuribenzene sulfonate reduced Jurea* by 25%, Pf* by 30%, and (ΔpHS*)NH3 by 100%. Molecular dynamics (MD) simulations of membrane-embedded models of UT-B identified the monomeric UT-B pores as the main conduction pathway for both H2O and NH3 and characterized the energetics associated with permeation of these species through the channel. Mutating each of two conserved threonines lining the monomeric urea pores reduced H2O and NH3 permeability. Our data confirm that UT-B has significant H2O permeability and for the first time demonstrate significant NH3 permeability. Thus the UTs become the third family of gas channels. Inhibitor and mutagenesis studies and results of MD simulations suggest that NH3 and H2O pass through the three monomeric urea channels in UT-B. PMID:23552862

  5. Simulation of operation of multiwave remote gas-analyzer based on NH 3-laser

    NASA Astrophysics Data System (ADS)

    Banakh, V. A.; Ponomarev, Yu. N.; Smalikho, I. N.; Firsov, K. M.; Maluta, D. D.; Poliakov, G. A.

    2000-03-01

    Numerical analysis of a multiwave path gas-analyzer, based on a NH 3-laser pumped by CO 2-laser radiation, is performed for model detection of concentrations of a series of molecular species such as NH 3, HCN, phosgene, NHO 3, CO 2, and H 2O. The potentialities of the gas analyzer and uncertainty of the gas concentration detection were estimated for a 4 km horizontal atmospheric path. The estimation took into account the absorption of laser radiation by the atmospheric aerosol and molecular gases under study and distortion of the laser beam due to atmospheric turbulence.

  6. Process-based modelling of NH3 exchange with grazed grasslands

    NASA Astrophysics Data System (ADS)

    Móring, Andrea; Vieno, Massimo; Doherty, Ruth M.; Milford, Celia; Nemitz, Eiko; Twigg, Marsailidh M.; Horváth, László; Sutton, Mark A.

    2017-09-01

    In this study the GAG model, a process-based ammonia (NH3) emission model for urine patches, was extended and applied for the field scale. The new model (GAG_field) was tested over two modelling periods, for which micrometeorological NH3 flux data were available. Acknowledging uncertainties in the measurements, the model was able to simulate the main features of the observed fluxes. The temporal evolution of the simulated NH3 exchange flux was found to be dominated by NH3 emission from the urine patches, offset by simultaneous NH3 deposition to areas of the field not affected by urine. The simulations show how NH3 fluxes over a grazed field in a given day can be affected by urine patches deposited several days earlier, linked to the interaction of volatilization processes with soil pH dynamics. Sensitivity analysis showed that GAG_field was more sensitive to soil buffering capacity (β), field capacity (θfc) and permanent wilting point (θpwp) than the patch-scale model. The reason for these different sensitivities is dual. Firstly, the difference originates from the different scales. Secondly, the difference can be explained by the different initial soil pH and physical properties, which determine the maximum volume of urine that can be stored in the NH3 source layer. It was found that in the case of urine patches with a higher initial soil pH and higher initial soil water content, the sensitivity of NH3 exchange to β was stronger. Also, in the case of a higher initial soil water content, NH3 exchange was more sensitive to the changes in θfc and θpwp. The sensitivity analysis showed that the nitrogen content of urine (cN) is associated with high uncertainty in the simulated fluxes. However, model experiments based on cN values randomized from an estimated statistical distribution indicated that this uncertainty is considerably smaller in practice. Finally, GAG_field was tested with a constant soil pH of 7.5. The variation of NH3 fluxes simulated in this way

  7. Addition of NH3 to Al3O3-

    NASA Astrophysics Data System (ADS)

    Wyrwas, Richard B.; Jarrold, Caroline Chick; Das, Ujjal; Raghavachari, Krishnan

    2006-05-01

    Recent computational studies on the addition of ammonia (NH3) to the Al3O3- cluster anion [A. Guevara-Garcia, A. Martinez, and J. V. Ortiz, J. Chem. Phys. 122, 214309 (2005)] have motivated experimental and additional computational studies, reported here. Al3O3- is observed to react with a single NH3 molecule to form the Al3O3NH3- ion in mass spectrometric studies. This is in contrast to similarly performed studies with water, in which the Al3O5H4- product was highly favored. However, the anion PE spectrum of the ammoniated species is very similar to that of Al3O4H2-. The adiabatic electron affinity of Al3O3NH3 is determined to be 2.35(5)eV. Based on comparison between the spectra and calculated electron affinities, it appears that NH3 adds dissociatively to Al3O3-, suggesting that the time for the Al3O3-•NH3 complex to either overcome or tunnel through the barrier to proton transfer (which is higher for NH3 than for water) is short relative to the time for collisional cooling in the experiment.

  8. Low and room temperature photoabsorption cross sections of NH3 in the UV region

    NASA Astrophysics Data System (ADS)

    Chen, F. Z.; Judge, D. L.; Wu, C. Y. R.; Caldwell, J.

    1998-12-01

    Using synchrotron radiation as a continuum light source, we have measured the absolute absorption cross sections of NH3 with a spectral bandwidth (FWHM) of 0.5 Å. The photoabsorption cross sections of NH3 have been measured from 1750 to 2250 Å under temperature conditions of 295, 195, and 175 K. Significant temperature effects in the absorption threshold region which are mainly due to the presence of hot band absorption are observed. The cross section value at peaks and valleys for the vibrational progressions of the (0,0) to (4,0) bands vary between -80% and +40% as the temperature of NH3 changes from 295 to 175 K. In contrast to this, the changes of cross section values, Pc,T, are found to vary less than 20% for the (v', 0) vibrational progressions with v' >= 5. The measured separations between the doublet features of the (0,0), (1,0), and (2,0) bands are found to decrease as the temperature of NH3 decreases. The shifts of peak positions of Pc,T with respect to the corresponding room temperature absorption peaks show a sudden change at v' = 3 which appears to agree with the trend observed in the homogeneous line widths of the vibrational bands of NH3 ([Vaida et al., 1987]; [Ziegler, 1985]; [Ziegler, 1986]). The unusual behavior of the line widths has been attributed to the A~ state potential surface which has a dissociation barrier.

  9. The NO + NH 3 reaction on Pt(100): steady state and oscillatory kinetics

    NASA Astrophysics Data System (ADS)

    Lombardo, S. J.; Esch, F.; Imbihl, R.

    The NO + NH 3 reaction was investigated on a Pt(100) surface in the 10 -6 mbar range using Video-LEED, work function measurements and measurements of the product partial pressures of N 2 and H 2O. Sustained kinetic oscillations, as observed in the N 2, H 2O and work function signals, were detected between 425 and 450 K for pNO = 1.1 × 10 -6 mbar and pNH3 = 4.7 × 10 -6 mbar. The dependence of the oscillation period on temperature and on the {p NH 3/ }/{p NO} ratio was determined. In situ LEED measurements demonstrated that oscillations in the reaction rate are coupled to the 1 × 1 ⇄ hex phase transition. Isotopic exchange experiments with 15NO and 14NH 3 showed that depending on the temperature and p {NH 3/ }/{p NO} ratio, significant deviations from a random mixing of 15N and 14N on the surface occur. This is interpreted as indication for an attractive interaction between NO ad and NH xad ( x = 1-3).

  10. Determination of NH3 emissions from confined areas using backward Lagrangian stochastic dispersion modelling

    NASA Astrophysics Data System (ADS)

    Häni, Christoph; Neftel, Albrecht; Sintermann, Jörg

    2016-04-01

    Employing backward Lagrangian stochastic (bLS) dispersion modelling to infer emission strengths from confined areas using trace gas concentration measurements is a convenient way of emission estimation from field measurements (see Wilson et al., 2012 and references therein). The freely available software 'WindTrax' (www.thunderbeachscientific.com), providing a graphical interface for the application of a bLS model, has spurred its utilisation in the past decade. Investigations include mainly methane (CH4) and ammonia (NH3) emissions based on experimental plots with dimensions between approximately 102 to 104 m2. Whereas for CH4 deposition processes can be neglected, NH3 has a strong affinity to any surface and is therefore efficiently deposited. Neglecting dry deposition will underestimate NH3 emissions, e.g. with a standard WindTrax approach. We extended the bLS model described in Flesch et al. (2004) by a dry deposition process using a simple, one-directional deposition velocity approach. At every contact of the model trajectories with ground level (here at the height of the roughness length Zo), deposition is modelled as: Fdep = vdep × CT raj (1) where vdep represents deposition velocity, and CTraj is the actual concentration of the specific trajectory at contact. A convenient way to model vdep is given by a resistances approach. The deposition velocity is modelled as the inverse of the sum of a series of different resistances to deposition. The aerodynamic resistance is already implicitly included in the bLS model, thus vdep is given as: v = ---1--- dep Rb + Rc (2) Rb and Rc represent resistances of different model layers between Zo and the surfaces where deposition take place. With this approach we analysed a dataset from measurements with an artificial NH3 source that consisted of 36 individual orifices mimicking a circular area source with a radius of 10 m. The use of three open-path miniDOAS (Sintermann et al., submitted to AMT) systems allowed to measure

  11. Effects of atmospheric ammonia (NH3) on terrestrial vegetation: a review.

    PubMed

    Krupa, S V

    2003-01-01

    At the global scale, among all N (nitrogen) species in the atmosphere and their deposition on to terrestrial vegetation and other receptors, NH3 (ammonia) is considered to be the foremost. The major sources for atmospheric NH3 are agricultural activities and animal feedlot operations, followed by biomass burning (including forest fires) and to a lesser extent fossil fuel combustion. Close to its sources, acute exposures to NH3 can result in visible foliar injury on vegetation. NH3 is deposited rapidly within the first 4-5 km from its source. However, NH3 is also converted in the atmosphere to fine particle NH4+ (ammonium) aerosols that are a regional scale problem. Much of our current knowledge of the effects of NH3 on higher plants is predominantly derived from studies conducted in Europe. Adverse effects on vegetation occur when the rate of foliar uptake of NH3 is greater than the rate and capacity for in vivo detoxification by the plants. Most to least sensitive plant species to NH3 are native vegetation > forests > agricultural crops. There are also a number of studies on N deposition and lichens, mosses and green algae. Direct cause and effect relationships in most of those cases (exceptions being those locations very close to point sources) are confounded by other environmental factors, particularly changes in the ambient SO2 (sulfur dioxide) concentrations. In addition to direct foliar injury, adverse effects of NH3 on higher plants include alterations in: growth and productivity, tissue content of nutrients and toxic elements, drought and frost tolerance, responses to insect pests and disease causing microorganisms (pathogens), development of beneficial root symbiotic or mycorrhizal associations and inter species competition or biodiversity. In all these cases, the joint effects of NH3 with other air pollutants such as all-pervasive O3 or increasing CO2 concentrations are poorly understood. While NH3 uptake in higher plants occurs through the shoots, NH4

  12. 3-D agricultural air quality modeling: Impacts of NH3/H2S gas-phase reactions and bi-directional exchange of NH3

    NASA Astrophysics Data System (ADS)

    Wang, Kai; Zhang, Yang

    2014-12-01

    Accurately simulating the transport and fate of reduced nitrogen (NHx = ammonia (NH3) + ammonium (NH4+))- and sulfur-containing compounds emitted from agricultural activities represents a major challenge in agricultural air quality modeling. In this study, the Community Multiscale Air Quality (CMAQ) modeling system is further developed and improved by implementing 22 ammonia (NH3)/hydrogen sulfide (H2S) related gas-phase reactions and adjusting a few key parameters (e.g., emission potential) for bi-directional exchange of NH3 fluxes. Several simulations are conducted over the eastern U.S. domain at a 12-km horizontal resolution for January and July 2002 to examine the impacts of those improved treatments on air quality. The 5th generation mesoscale model (MM5) and CMAQ predict an overall satisfactory and consistent performance with previous modeling studies, especially for 2-m temperature, 2-m relative humidity, ozone (O3), and fine particulate matter (PM2.5). High model biases exist for precipitation in July and also dry/wet depositions. The updated model treatments contribute to O3, NHx, and PM2.5 by up to 0.4 ppb, 1.0 μg m-3, and 1.0 μg m-3 in January, respectively, and reduce O3 by up to 0.8 ppb and contribute to NHx and PM2.5 by up to 1.2 and 1.1 μg m-3 in July, respectively. The spatial distributions of O3 in both months and sulfur dioxide (SO2) in January are mainly affected by inline dry deposition velocity calculation. The spatial distributions of SO2 and sulfate (SO42-) in July are affected by both inline dry deposition velocity and NH3/H2S reactions. The variation trends of NH3, NHx, ammonium nitrate (NH4NO3), PM2.5 and total nitrogen (TN) are predominated by bi-directional exchange of NH3 fluxes. Uncertainties of NH3 emission potentials and empirical constants used in the bi-directional exchange scheme may significantly affect the concentrations of NHx and PM2.5, indicating that a more accurate and explicit treatment for those parameters should be

  13. Validation of Ogawa passive samplers for the determination of gaseous ammonia concentrations in agricultural settings

    NASA Astrophysics Data System (ADS)

    Roadman, M. J.; Scudlark, J. R.; Meisinger, J. J.; Ullman, W. J.

    The Ogawa passive sampler (Ogawa USA, Pompano Beach, Florida) is a useful tool for monitoring atmospheric ammonia (NH 3(g)) concentrations and assessing the effects of agricultural waste management practices on NH 3(g) emissions. The Ogawa sampler, with filter-discs impregnated with citric acid, was used to trap and determine NH 3(g) concentrations in a variety of agricultural settings. A wide range of NH 3(g) concentrations can be monitored by varying the sampler exposure time, provided that no more than ˜10 μg of NH 3-N are adsorbed on the acid-coated filters. Concentrations less than 1 μg NH 3-N m -3 can be detected using long deployments (⩽14 days), while concentrations as great as 10 mg NH 3-N m -3 may be determined in very short (e.g. 5 min) deployments. Reproducibility ranged from 5% to 10% over the range of concentrations studied and passive determinations of NH 3(g) were similar to those determined using dilute-acid gas scrubbers. Background levels of NH 3(g) at a non-agricultural site in southern Delaware were typically <1 μg NH 3-N m -3. The air entering a chicken house was 10 μg NH 3-N m -3, reflecting the background levels in agricultural settings in this region. Within the house, concentrations ⩽8.5 mg NH 3-N m -3 were observed, reflecting the high rates of NH 3(g) emission from chicken excreta. Using measured NH 3(g) concentrations and poultry house ventilation rates, we estimate that each broiler grown to production size over 6 weeks contributes approximately 19±3 g of NH 3-N to the atmosphere, a value consistent with other published results.

  14. Four-level microwave-microwave double resonance in NH3ṡHe gas mixtures

    NASA Astrophysics Data System (ADS)

    Peterson, Dean B.; Schwendeman, R. H.

    1987-06-01

    Four-level microwave-microwave double-resonance measurements have been carried out for a number of pump-probe pairs in the inversion spectrum of NH3 in dilute mixtures of NH3 in He. The results completely confirm corresponding measurements previously carried out by Oka with a different apparatus in a different laboratory [Adv. At. Mol. Phys. 9, 127 (1973)]. The original data had been questioned by Davis and Green on the basis of a comparison of observed and calculated results [J. Chem. Phys. 78, 2170 (1983)].

  15. The NH3 spectrum in Saturn's 5 micron window

    NASA Technical Reports Server (NTRS)

    Bjoraker, G. L.; Fink, U.; Larson, H. P.; Johnson, J. R.

    1983-01-01

    Spectra of Saturn's 5-micron window were obtained at the Infrared Telescope Facility on Mauna Kea, Hawaii. The spectra have a resolution of 1.2/cm, and some exhibit extremely low amounts of approximately 300-micron ppt telluric H2O. The Saturn spectra show absorptions by the 2nu2 band of NH3. Long-path laboratory comparison spectra of NH3 were acquired and show considerable deviations in intensity from theoretical predictions. The calibration of Saturn's observed NH3 features with the laboratory data gives 2.0 + or - 0.5 m-amagat of NH3 using the 2nu2 Q-branch at 5.32 microns. The R(1) and R(2) lines yield an abundance about 3 times greater. Absorptions outside the range of the Q-branch can be accounted for by solid NH3 of 10-20 microns equivalent path length. The origin of Saturn's 5-micron flux is mostly thermal with some admixture of solar reflected radiation. A depletion of Saturn's NH3 abundance below the solar value is indicated, but confirmation of this conclusion will require a better understanding of the atmospheric penetration depth at 5 microns and more rigorous modeling of the spectral line formation.

  16. Mesoscopic CH3NH3PbI3/TiO2 heterojunction solar cells.

    PubMed

    Etgar, Lioz; Gao, Peng; Xue, Zhaosheng; Peng, Qin; Chandiran, Aravind Kumar; Liu, Bin; Nazeeruddin, Md K; Grätzel, Michael

    2012-10-24

    We report for the first time on a hole conductor-free mesoscopic methylammonium lead iodide (CH(3)NH(3)PbI(3)) perovskite/TiO(2) heterojunction solar cell, produced by deposition of perovskite nanoparticles from a solution of CH(3)NH(3)I and PbI(2) in γ-butyrolactone on a 400 nm thick film of TiO(2) (anatase) nanosheets exposing (001) facets. A gold film was evaporated on top of the CH(3)NH(3)PbI(3) as a back contact. Importantly, the CH(3)NH(3)PbI(3) nanoparticles assume here simultaneously the roles of both light harvester and hole conductor, rendering superfluous the use of an additional hole transporting material. The simple mesoscopic CH(3)NH(3)PbI(3)/TiO(2) heterojunction solar cell shows impressive photovoltaic performance, with short-circuit photocurrent J(sc)= 16.1 mA/cm(2), open-circuit photovoltage V(oc) = 0.631 V, and a fill factor FF = 0.57, corresponding to a light to electric power conversion efficiency (PCE) of 5.5% under standard AM 1.5 solar light of 1000 W/m(2) intensity. At a lower light intensity of 100W/m(2), a PCE of 7.3% was measured. The advent of such simple solution-processed mesoscopic heterojunction solar cells paves the way to realize low-cost, high-efficiency solar cells.

  17. Thermal Durability of Cu-CHA NH3-SCR Catalysts for Diesel NOx Reduction

    SciTech Connect

    Schmieg, Steven J.; Oh, Se H.; Kim, Chang H.; Brown, David B.; Lee, Jong H.; Peden, Charles HF; Kim, Do Heui

    2012-04-30

    Multiple catalytic functions (NOx conversion, NO and NH3 oxidation, NH3 storage) of a commercial Cu-zeolite urea/NH3-SCR catalyst were assessed in a laboratory fixed-bed flow reactor system after differing degrees of hydrothermal aging. Catalysts were characterized by using x-ray diffraction (XRD), 27Al solid state nuclear magnetic resonance (NMR) and transmission electron microscopy (TEM) / energy dispersive X-ray (EDX) spectroscopy to develop an understanding of the degradation mechanisms during catalyst aging. The catalytic reaction measurements of laboratory-aged catalysts were performed, which allows us to obtain a universal curve for predicting the degree of catalyst performance deterioration as a function of time at each aging temperature. Results show that as the aging temperature becomes higher, the zeolite structure collapses in a shorter period of time after an induction period. The decrease in SCR performance was explained by zeolite structure destruction and/or Cu agglomeration, as detected by XRD/27Al NMR and by TEM/EDX, respectively. Destruction of the zeolite structure and agglomeration of the active phase also results in a decrease in the NO/NH3 oxidation activity and the NH3 storage capacity of the catalyst. Selected laboratory aging conditions (16 h at 800oC) compare well with a 135,000 mile vehicle-aged catalyst for both performance and characterization criteria.

  18. [Effects of superphosphate addition on NH3 and greenhouse gas emissions during vegetable waste composting].

    PubMed

    Yang, Yan; Sun, Qin-ping; Li, Ni; Liu, Chun-sheng; Li, Ji-jin; Liu, Ben-sheng; Zou, Guo-yuan

    2015-01-01

    To study the effects of superphosphate (SP) on the NH, and greenhouse gas emissions, vegetable waste composting was performed for 27 days using 6 different treatments. In addition to the controls, five vegetable waste mixtures (0.77 m3 each) were treated with different amounts of the SP additive, namely, 5%, 10%, 15%, 20% and 25%. The ammonia volatilization loss and greenhouse gas emissions were measured during composting. Results indicated that the SP additive significantly decreased the ammonia volatilization and greenhouse gas emissions during vegetable waste composting. The additive reduced the total NH3 emission by 4.0% to 16.7%. The total greenhouse gas emissions (CO2-eq) of all treatments with SP additives were decreased by 10.2% to 20.8%, as compared with the controls. The NH3 emission during vegetable waste composting had the highest contribution to the greenhouse effect caused by the four different gases. The amount of NH3 (CO2-eq) from each treatment ranged from 59.90 kg . t-1 to 81.58 kg . t-1; NH3(CO2-eq) accounted for 69% to 77% of the total emissions from the four gases. Therefore, SP is a cost-effective phosphorus-based fertilizer that can be used as an additive during vegetable waste composting to reduce the NH3 and greenhouse gas emissions as well as to improve the value of compost as a fertilizer.

  19. TES/Aura L2 Ammonia (NH3) Lite Nadir V6 (TL2NH3LN)

    Atmospheric Science Data Center

    2017-07-20

    TES/Aura L2 Ammonia (NH3) Lite Nadir (TL2NH3LN) News:  TES News ... Level:  L2 Instrument:  TES/Aura L2 Ammonia Spatial Coverage:  5.3 km nadir Spatial ... OPeNDAP Access:  OPeNDAP Parameters:  Ammonia Order Data:  Earthdata Search:   Order Data ...

  20. The effect of fuel sulfur on NH 3 and other emissions from 2000-2001 model year vehicles

    NASA Astrophysics Data System (ADS)

    Durbin, Thomas D.; Pisano, John T.; Younglove, T.; Sauer, Claudia G.; Rhee, Sam H.; Huai, Tao; Miller, J. Wayne; MacKay, Gervase I.; Hochhauser, Albert M.; Ingham, Michael C.; Gorse, Robert A.; Beard, Loren K.; DiCicco, Dominic; Thompson, Neville; Stradling, Richard J.; Rutherford, James A.; Uihlein, James P.

    Atmospheric ammonia (NH 3) is an important precursor to secondary particulate matter formation and information is currently scarce on NH 3 emissions from advanced low-emission vehicles using low-sulfur fuels. With the continuing reduction in the level of sulfur in gasoline, it is important to understand how this change could impact NH 3 emissions, particularly for advanced vehicle technologies. For this study, a total of 12 California-certified low-emission vehicles were tested with a gasoline containing 5, 30, and 150 ppmw sulfur and with both as-received and bench-aged catalysts. Vehicles were tested on each fuel/catalyst configuration over the federal test procedure (FTP) and US06 test cycles. Both regulated and NH 3 emissions were measured in real-time. NH 3 emission rates were generally lower than those of other regulated emissions over the FTP and in the range 14-21 mg mi -1 for the fleet. NH 3 emission rates were approximately five times higher over the more aggressive US06 cycle compared to the FTP. NH 3 emissions were primarily observed during transients, with higher emissions for more aggressive accelerations. Overall, the NH 3 emission factors for the newer technology vehicles tested were lower that than those found in previous studies of older vehicle technologies. Sulfur did not affect NH 3 emissions over the FTP, but higher NH 3 emissions were found for increasing fuel sulfur levels over the US06. Sulfur effects were also observed for nitrogen oxides over the FTP and for all regulated emissions over the US06.

  1. Single-layer MoSe2 based NH3 gas sensor

    NASA Astrophysics Data System (ADS)

    Late, Dattatray J.; Doneux, Thomas; Bougouma, Moussa

    2014-12-01

    High performance chemical sensor is highly desirable to detect traces of toxic gas molecules. Two dimensional (2D) transition metal dichalcogenides (TMDC) semiconducting materials has attracted as high performance gas sensor device applications due to unique properties such as high surface to volume ratio. Here, we describe the utilization of single-layer MoSe2 as high-performance room temperature NH3 gas sensors. Our single-layer MoSe2 based gas sensor device shows comprehensible detection of NH3 gas down to 50 ppm. We also confirmed gas sensing measurement by recording the Raman spectra before and after exposing the device to NH3 gas, which subsequently shows the shift due to charger transfer and analyte gas molecule adsorption on surface of single-layer MoSe2 nanosheet. Our investigations show the potential use of single-layer and few layer thick MoSe2 and other TMDC as high-performance gas sensors.

  2. Mixing of Dust and NH3 Observed Globally over Anthropogenic Dust Sources

    NASA Technical Reports Server (NTRS)

    Ginoux, P.; Clarisse, L.; Clerbaux, C.; Coheur, P.-F.; Dubovik, O.; Hsu, N. C.; Van Damme, M.

    2012-01-01

    The global distribution of dust column burden derived from MODIS Deep Blue aerosol products is compared to NH3 column burden retrieved from IASI infrared spectra. We found similarities in their spatial distributions, in particular their hot spots are often collocated over croplands and to a lesser extent pastures. Globally, we found 22% of dust burden collocated with NH3, with only 1% difference between land-use databases. This confirms the importance of anthropogenic dust from agriculture. Regionally, the Indian subcontinent has the highest amount of dust mixed with NH3 (26 %), mostly over cropland and during the pre-monsoon season. North Africa represents 50% of total dust burden but accounts for only 4% of mixed dust, which is found over croplands and pastures in Sahel and the coastal region of the Mediterranean. In order to evaluate the radiative effect of this mixing on dust optical properties, we derive the mass extinction efficiency for various mixtures of dust and NH3, using AERONET sunphotometers data. We found that for dusty days the coarse mode mass extinction efficiency decreases from 0.62 to 0.48 square meters per gram as NH3 burden increases from 0 to 40 milligrams per square meter. The fine mode extinction efficiency, ranging from 4 to 16 square mters per gram, does not appear to depend on NH3 concentration or relative humidity but rather on mineralogical composition and mixing with other aerosols. Our results imply that a significant amount of dust is already mixed with ammonium salt before its long range transport. This in turn will affect dust lifetime, and its interactions with radiation and cloud properties

  3. Investigation of potential alternative hydrogen carrier, Mg supported zeolite with temperature programmed desorption of NH3.

    PubMed

    Cho, Sung June; Kim, Tak Hee; Jang, Young Bae; Lee, Jun

    2007-11-01

    Magnesium ion exchanged zeolite A was subject to the measurement of the temperature programmed desorption of NH3 to explore the possibility of the potential hydrogen carrier. The result suggested that the Mg supported NaA zeolite released a significant amount of ammonia corresponding to 1.4 Hwt% hydrogen at around 373 K. Under the same condition after the NH3 adsorption at ambient temperature, the MgCl2 sample released 1.0 Hwt% hydrogen at around 340 K. The present work suggests that the Mg supported zeolite can also be utilized as hydrogen carrier.

  4. Rotational Spectroscopy of the NH3-H2 Molecular Complex

    NASA Astrophysics Data System (ADS)

    Surin, L. A.; Tarabukin, I. V.; Schlemmer, S.; Breier, A. A.; Giesen, T. F.; McCarthy, M. C.; van der Avoird, A.

    2017-03-01

    We report the first high resolution spectroscopic study of the NH3–H2 van der Waals molecular complex. Three different experimental techniques, a molecular beam Fourier transform microwave spectrometer, a millimeter-wave intracavity jet OROTRON spectrometer, and a submillimeter-wave jet spectrometer with multipass cell, were used to detect pure rotational transitions of NH3–H2 in the wide frequency range from 39 to 230 GHz. Two nuclear spin species, (o)-NH3–(o)-H2 and (p)-NH3–(o)-H2, have been assigned as carriers of the observed lines on the basis of accompanying rovibrational calculations performed using the ab initio intermolecular potential energy surface (PES) of Maret et al. The experimental spectra were compared with the theoretical bound state results, thus providing a critical test of the quality of the NH3–H2 PES, which is a key issue for reliable computations of the collisional excitation and de-excitation of ammonia in the dense interstellar medium.

  5. Condensation and Vaporization Studies of CH3OH and NH3 Ices: Major Implications for Astrochemistry

    NASA Technical Reports Server (NTRS)

    Sandford, Scott A.; Allamandola, Louis J.

    1993-01-01

    In an extension of previously reported work on ices containing H20, CO, CO2, SO2, H2S, and H2, We present measurements of the physical and infrared spectral properties of ices containing CH30H and NH3.The condensation and sublimation behavior of these ice systems is discussed and surface binding energies are presented for all of these molecules. The surface binding energies can be used to calculate the residence times of the molecules on grain surfaces as a function of temperature. It is demonstrated that many of the molecules used to generate radio maps of and probe conditions in dense clouds, for example CO and NH3, will be significantly depleted from the gas phase by condensation onto dust grains. Attempts to derive total column densities solely from radio maps that do not take condensation effects into account may vastly underestimate the true column densities of any given species. Simple CO condensation onto and vaporization off of grains appears to be capable of explaining the observed 87 of gas phase CO in cold, dense molecular cores. This is not the case for NH3, however, where thermal considerations alone predict that all of the NH3 should be condensed onto grains. The fact that some gas phase NH3 is observed indicates that additional desorption processes must be involved. The surface binding energies of CH3OH, in conjunction with this molecule's observed behavior during warm up in H2O-rich ices, is shown to provide an explanation of the large excess of CH3OH seen in many warm, dense molecular cores. The near-infrared spectrum and associated integrated band strengths of CH3OH-containing ice are given, as are middle infrared absorption band strengths for both CH3OH and NH3.

  6. Condensation and vaporization studies of CH3OH and NH3 ices: Major implications for astrochemistry

    NASA Technical Reports Server (NTRS)

    Sandford, Scott A.; Allamandola, Louis J.

    1993-01-01

    In an extension of previously reported work on ices containing H2O, CO, CO2, SO2, H2S, and H2, we present measurements of the physical and infrared spectral properties of ices containing CH3OH and NH3. The condensation and sublimation behavior of these ice systems is discussed and surface binding energies are presented for all of these molecules. The surface binding energies can be used to calculate the residence times of the molecules on grain surfaces as a function of temperature. It is demonstrated that many of the molecules used to generate radio maps of and probe conditions in dense clouds, for example CO and NH3, will be significantly depleted from the gas phase by condensation onto dust grains. Attempts to derive total column densities solely from radio maps that do not take condensation effects into account may vastly underestimate the true column densities of any given species. Simple CO condensation onto and vaporization off of grains appears to be capable of explaining the observed depletion of gas phase CO in cold, dense molecular cores. This is not the case for NH3, however, where thermal considerations alone predict that all of the NH3 should be condensed onto grains. The fact that some gas phase NH3 is observed indicates that additional desorption processes must be involved. The surface binding energies of CH3OH, in conjunction with this molecule's observed behavior during warm up in H2O-rich ices, is shown to provide an explanation of the large excess of CH3OH seen in many warm, dense molecular cores. The near-infrared spectrum and associated integrated band strengths of CH3OH-containing ice are given, as are middle infrared absorption band strengths for both CH3OH and NH3.

  7. Quantum IR line list of NH3 and isotopologues for ISM and dwarf studies

    NASA Astrophysics Data System (ADS)

    Huang, Xinchuan; Schwenke, David W.; Lee, Timothy J.; Sung, Keeyoon; Brown, Linda R.

    2013-03-01

    Ammonia (NH3) was the first polyatomic molecule observed in the ISM. Its importance in interstellar molecules is only second to CO because its rovibrational spectroscopic signature can be used very effectively at deducing the conditions of the interstellar environment such as temperature and density, and because it is found in so many different interstellar objects in a wide temperature range. However, experimental determination of NH3 IR spectra is extremely difficult due to the large-amplutide inversion vibration, and the existing HITRAN2008 database for NH3 is limited in temperature, coverage, completeness, and accuracy. With rapid progress in theoretical chemistry and computational resources, now we are able to generate a highly reliable/accurate IR line list of NH3 (and its isotopologues) for astronomical studies. Exact quantum rovibrational computations on an empirically refined potential energy surface (with nonadiabatic corrections included) have achieved accuracies of 0.02-0.05 cm-1 (for line position) and better than 85-95% (for line intensity) for both NH3 and 15NH3 spectra. The unique feature of our work is that our predictions are essentially as accurate as reproducing existing measurements, suitable for synthetic simulation of various astrophysical environments or objects. The reliabilty and accuracy of our predictions for missing bands and higher energies computed on HSL-2 (Fig. 1) have been proved by the most recent high-resolution experiments and extended up to 7000 cm-1. See Huang et al. 2008, Huang et al. 2011, & Sung et al. 2012 for more details.

  8. Condensation and vaporization studies of CH3OH and NH3 ices: major implications for astrochemistry.

    PubMed

    Sandford, S A; Allamandola, L J

    1993-11-10

    In an extension of previously reported work on ices containing H2O, CO, CO2, SO2, H2S, and H2, we present measurements of the physical and infrared spectral properties of ices containing CH3OH and NH3. The condensation and sublimation behavior of these ice systems is discussed and surface binding energies are presented for all of these molecules. The surface binding energies can be used to calculate the residence times of the molecules on grain surfaces as a function of temperature. It is demonstrated that many of the molecules used to generate radio maps of and probe conditions in dense clouds, for example CO and NH3, will be significantly depleted from the gas phase by condensation onto dust grains. Attempts to derive total column densities solely from radio maps that do not take condensation effects into account may vastly underestimate the true column densities of any given species. Simple CO condensation onto and vaporization off of grains appears to be capable of explaining the observed depletion of gas phase CO in cold, dense molecular cores. This is not the case for NH3, however, where thermal considerations alone predict that all of the NH3 should be condensed onto grains. The fact that some gas phase NH3 is observed indicates that additional desorption processes must be involved. The surface binding energies of CH3OH, in conjunction with this molecule's observed behavior during warm up in H2O-rich ices, is shown to provide an explanation of the large excess of CH3OH seen in many warm, dense molecular cores. The near-infrared spectrum and associated integrated band strengths of CH3OH-containing ice are given, as are middle infrared absorption band strengths for both CH3OH and NH3.

  9. Photo-induced ferroelectric switching in perovskite CH3NH3PbI3 films.

    PubMed

    Wang, Peiqi; Zhao, Jinjin; Wei, Liyu; Zhu, Qingfeng; Xie, Shuhong; Liu, Jinxi; Meng, Xiangjian; Li, Jiangyu

    2017-03-17

    The photovoltaic conversion efficiency of perovskite solar cells based on organic-inorganic CH3NH3PbI3 has risen spectacularly from 3.8% to over 20% in just seven years, yet quite a few important fundamental issues have not been settled, and the role of spontaneous polarization remains poorly understood. While piezoresponse force microscopy (PFM) has been adopted to probe possible ferroelectricity in CH3NH3PbI3, the reported data are often conflicting and inconclusive, due to the complexity in the apparent piezoresponse and its switching that may arise from ionic motions, electrostatic interactions, and other electromechanical mechanisms. Here, using a combination of microscopic and macroscopic measurements, we unambiguously establish the linear piezoelectricity of CH3NH3PbI3 arising from its spontaneous polarization, which can be switched by an electric field, though other electromechanical contributions such as ionic motions are also shown to exist. More importantly, we demonstrate strong interactions between polarization and light in technologically relevant CH3NH3PbI3 films with good conversion efficiencies, observing that the spontaneous polarization can also be switched by light illumination in the absence of an electric field. The light is shown to reduce the coercive voltage of CH3NH3PbI3 and shifts its nucleation bias, suggesting that the photo-induced switching is caused by ionic motions in combination with a photovoltaic field. This set of studies offer strong evidence on the interactions among photo-induced charges, polarization, and ions in perovskite CH3NH3PbI3, and these fundamental observations lay the ground for answering the technologically important question regarding the effects of ferroelectricity on its photovoltaic conversion.

  10. Two-center three-electron bonding in ClNH3 revealed via helium droplet infrared laser Stark spectroscopy: Entrance channel complex along the Cl + NH3 → ClNH2 + H reaction

    NASA Astrophysics Data System (ADS)

    Moradi, Christopher P.; Xie, Changjian; Kaufmann, Matin; Guo, Hua; Douberly, Gary E.

    2016-04-01

    Pyrolytic dissociation of Cl2 is employed to dope helium droplets with single Cl atoms. Sequential addition of NH3 to Cl-doped droplets leads to the formation of a complex residing in the entry valley to the substitution reaction Cl + NH3 → ClNH2 + H. Infrared Stark spectroscopy in the NH stretching region reveals symmetric and antisymmetric vibrations of a C3v symmetric top. Frequency shifts from NH3 and dipole moment measurements are consistent with a ClNH3 complex containing a relatively strong two-center three-electron (2c-3e) bond. The nature of the 2c-3e bonding in ClNH3 is explored computationally and found to be consistent with the complexation-induced blue shifts observed experimentally. Computations of interconversion pathways reveal nearly barrierless routes to the formation of this complex, consistent with the absence in experimental spectra of two other complexes, NH3Cl and Cl-HNH2, which are predicted in the entry valley to the hydrogen abstraction reaction Cl + NH3 → HCl + NH2.

  11. Two-Center Three-Electron Bonding in ClNH3 Revealed via Helium Droplet Infrared Spectroscopy: Entrance Channel Complex Along the cl + NH3 → ClNH2 + H Reaction

    NASA Astrophysics Data System (ADS)

    Franke, Peter R.; Moradi, Christopher P.; Kaufmann, Matin; Xie, Changjian; Guo, Hua; Douberly, Gary E.

    2016-06-01

    Pyrolytic dissociation of Cl2 is employed to dope helium droplets with single Cl atoms. Sequential addition of NH3 to Cl-doped droplets leads to the formation of a complex residing in the entry valley to the substitution reaction, Cl + NH3 → ClNH2 + H. Infrared Stark spectroscopy in the NH stretching region reveals symmetric and antisymmetric vibrations of a C3v symmetric top. Frequency shifts from NH3 and dipole moment measurements are consistent with a ClNH3 complex containing a relatively strong two-center three-electron (2c-3e) bond. The nature of the 2c-3e bonding in ClNH3 is explored computationally and found to be consistent with the complexation-induced blue shifts observed experimentally. Computations of interconversion pathways reveal nearly barrierless routes to the formation of this complex, consistent with the absence of two other complexes, NH3Cl and Cl-HNH2, which are predicted in the entry valley to the hydrogen abstraction reaction, Cl + NH3 → HCl + NH2

  12. Parametrization of electron impact ionization cross sections for CO, CO2, NH3 and SO2

    NASA Technical Reports Server (NTRS)

    Srivastava, Santosh K.; Nguyen, Hung P.

    1987-01-01

    The electron impact ionization and dissociative ionization cross section data of CO, CO2, CH4, NH3, and SO2, measured in the laboratory, were parameterized utilizing an empirical formula based on the Born approximation. For this purpose an chi squared minimization technique was employed which provided an excellent fit to the experimental data.

  13. VUV Photolysis of NH_3: a Matrix Isolation Study of the Molecular Interactions Between Amidogen Radical and Ammonia Molecules

    NASA Astrophysics Data System (ADS)

    Krim, L.; Zins, E. L.

    2013-06-01

    The presence of NH_3 in the interstellar medium is very promising in terms of possible exobiologically-relevant reactions. This is the reason why numerous laboratory investigations on reactions involving NH_3 were carried out in the context of astrochemistry. Among other reactions, the photolysis of NH_3 was widely investigated. IR spectroscopy in solid phase as well as in rare-gas matrices suggested the formation of NH_2 radicals. In most of these experiments, samples containing NH_3 were prepared at cryogenic temperatures and further irradiated. On the other hand, since the penetration of the photons inside the solid ices as well as inside matrices is limited, the concentration of the photoproducts is weak, thus hindering possible secondary reaction studies. Furthermore, in addition with ice-grain irradiations, in the interstellar clouds, the gaseous species may be subjected to irradiation during their condensation on ice grains. In order to reproduce this effect, instead of irradiating samples obtained by condensation of NH_3 or NH_3/Ne gases at low temperatures, we carried experiments in which irradiation was carried out during the sample deposition. Thus, the amidogen radical and complexes between this radical and ammonia molecules were prepared and isolated in a neon matrix. The formation of (NH_2)(NH_3), (NH_2)(NH_3)_2 and (NH_2)(NH_3)_3 was clearly established thanks to the comparison between the theoretical and the experimental vibrational frequencies. Thus, such ammonia-containing aggregates may be formed in the interstellar clouds. These complexes, as solvated radicals, may further react with carbon- and oxygen-containing species present on the surface of ice grains. Such reactions may be a first step toward the formation of prebiotic molecules.

  14. UF6 and UF4 in liquid ammonia: [UF7(NH3)]3- and [UF4(NH3)4].

    PubMed

    Kraus, Florian; Baer, Sebastian A

    2009-08-17

    From the reaction of uranium hexafluoride UF6 with dry liquid ammonia, the [UF7(NH3)]3- anion and the [UF4(NH3)4] molecule were isolated and identified for the first time. They are found in signal-green crystals of trisammonium monoammine heptafluorouranate(IV) ammonia (1:1; [NH4]3[UF7(NH3)].NH3) and emerald-green crystals of tetraammine tetrafluorouranium(IV) ammonia (1:1; [UF4(NH3)4].NH3). [NH4]3[UF7(NH3)].NH3 features discrete [UF7(NH3)]3- anions with a coordination geometry similar to a bicapped trigonal prism, hitherto unknown for U(IV) compounds. The emerald-green [UF4(NH3)4].NH3 contains discrete tetraammine tetrafluorouranium(IV) [UF4(NH3)4] molecules. [UF4(NH3)4].NH3 is not stable at room temperature and forms pastel-green [UF4(NH3)4] as a powder that is surprisingly stable up to 147 degrees C. The compounds are the first structurally characterized ammonia complexes of uranium fluorides.

  15. Gaseous NH3 Confers Porous Pt Nanodendrites Assisted by Halides

    PubMed Central

    Lu, Shuanglong; Eid, Kamel; Li, Weifeng; Cao, Xueqin; Pan, Yue; Guo, Jun; Wang, Liang; Wang, Hongjing; Gu, Hongwei

    2016-01-01

    Tailoring the morphology of Pt nanocrystals (NCs) is of great concern for their enhancement in catalytic activity and durability. In this article, a novel synthetic strategy is developed to selectively prepare porous dendritic Pt NCs with different structures for oxygen reduction reaction (ORR) assisted by NH3 gas and halides (F−, Cl−, Br−). The NH3 gas plays critical roles on tuning the morphology. Previously, H2 and CO gas are reported to assist the shape control of metallic nanocrystals. This is the first demonstration that NH3 gas assists the Pt anisotropic growth. The halides also play important role in the synthetic strategy to regulate the formation of Pt NCs. As-made porous dendritic Pt NCs, especially when NH4F is used as a regulating reagent, show superior catalytic activity for ORR compared with commercial Pt/C catalyst and other previously reported Pt-based NCs. PMID:27184228

  16. Formation of H2+ and H3+ in energetic highly-charged-ion collisions with NH3

    NASA Astrophysics Data System (ADS)

    Bhatt, Pragya; Sairam, T.; Kumar, Ajit; Kumar, Herendra; Safvan, C. P.

    2017-08-01

    The dissociation of NH3 is studied using energetic H + and Arq + (q =1 ,8 ) ions. The multi-ion coincidence technique along with the time- and position-sensitive measurements of the recoil ions allows us to distinguish different dissociation channels involving the rearrangement of hydrogen atoms. It is observed that the bond dissociation of NH3x + (x =3 -5 ) occurs in a concerted manner and nonplanar dissociation exists. Our results indicate a competition between the bond-rearrangement and Coulomb repulsion processes in NH3x + . Ab initio intrinsic reaction coordinate calculations are performed to understand the bond-rearrangement process in NH32 + .

  17. Long-range transport of NH3, CO, HCN, and C2H6 from the 2014 Canadian Wildfires

    NASA Astrophysics Data System (ADS)

    Lutsch, E.; Dammers, E.; Conway, S.; Strong, K.

    2016-08-01

    We report the first long-term measurements of ammonia (NH3) in the high Arctic. Enhancements of the total columns of NH3, carbon monoxide (CO), hydrogen cyanide (HCN), and ethane (C2H6) were detected in July and August 2014 at Eureka, Nunavut, and Toronto, Ontario. Enhancements were attributed to fires in the Northwest Territories using the FLEXPART Lagrangian dispersion model and the Moderate Resolution Imaging Spectroradiometer Fire Hot Spot data set. Emission estimates are reported as average emission factors for HCN (0.62 ± 0.34 g kg-1), C2H6 (1.50 ± 0.75 g kg-1), and NH3 (1.40 ± 0.72 g kg-1). Observations of NH3 at both sites demonstrate long-range transport of NH3, with an estimated NH3 lifetime of 48 h. We also conclude that boreal fires may be an important source of NH3 in the summertime Arctic.

  18. Synergetic formation of secondary inorganic and organic aerosol: effect of SO2 and NH3 on particle formation and growth

    NASA Astrophysics Data System (ADS)

    Chu, Biwu; Zhang, Xiao; Liu, Yongchun; He, Hong; Sun, Yele; Jiang, Jingkun; Li, Junhua; Hao, Jiming

    2016-11-01

    The effects of SO2 and NH3 on secondary organic aerosol formation have rarely been investigated together, while the interactive effects between inorganic and organic species under highly complex pollution conditions remain uncertain. Here we studied the effects of SO2 and NH3 on secondary aerosol formation in the photooxidation system of toluene/NOx in the presence or absence of Al2O3 seed aerosols in a 2 m3 smog chamber. The presence of SO2 increased new particle formation and particle growth significantly, regardless of whether NH3 was present. Sulfate, organic aerosol, nitrate, and ammonium were all found to increase linearly with increasing SO2 concentrations. The increases in these four species were more obvious under NH3-rich conditions, and the generation of nitrate, ammonium, and organic aerosol increased more significantly than sulfate with respect to SO2 concentration, while sulfate was the most sensitive species under NH3-poor conditions. The synergistic effects between SO2 and NH3 in the heterogeneous process contributed greatly to secondary aerosol formation. Specifically, the generation of NH4NO3 was found to be highly dependent on the surface area concentration of suspended particles, and increased most significantly with SO2 concentration among the four species under NH3-rich conditions. Meanwhile, the absorbed NH3 might provide a liquid surface layer for the absorption and subsequent reaction of SO2 and organic products and, therefore, enhance sulfate and secondary organic aerosol (SOA) formation. This effect mainly occurred in the heterogeneous process and resulted in a significantly higher growth rate of seed aerosols compared to without NH3. By applying positive matrix factorisation (PMF) analysis to the AMS data, two factors were identified for the generated SOA. One factor, assigned to less-oxidised organic aerosol and some oligomers, increased with increasing SO2 under NH3-poor conditions, mainly due to the well-known acid catalytic effect of

  19. [Protein and amino acid metabolism in the gastrointestinal tract of young bulls. 3. Flow of NH3-free raw protein into the duodenum].

    PubMed

    Gabel, M; Poppe, S

    1985-10-01

    The amount of NH3-free crude protein getting into the duodenum corrected by the endogenous crude protein quota was determined on the basis of 28 differently composed rations for growing bulls in the live weight range of 140-460 kg provided with duodenal re-entrant cannulae. The experimental results were generalized by means of regression analysis and can be summarized as follows: The amount of NH3-free crude protein getting into the duodenum can partially be calculated with the regression equation (Formula: see text) resp. NH3-free crude protein D = 155 app. dig. org. matter + 0.262 pure protein +/- 42. The remaining dispersion amounts to +/- 6% of the mean value. The coincidence between the values calculated with these equations and those measured experimentally is very good. There is an interaction between the pure protein of feed getting into the duodenum in % of pure protein intake (y) and the bacteria crude protein D/kg app. dig. org. matter (x) characterized by the equation y = 116.8-0.52 x +/- 12.9. The amount of NH3-free crude protein duod. is not influenced by the flow rate (kg digesta/kg intake of org. matter) and not by the "dilution rate' (g bacteria free org. matter duod./kg live weight 0.75/h) either at a DM intake adequate to the production level. Apart from the partial estimation of the NH3-free crude protein duod. a evaluation based on the crude protein and pure protein concentration in app. dig. org. matter of the ration is possible.

  20. Etude des transitions de phases de NH 3(CH 2) 2NH 3(H 2PO 4) 2 par mesures optique, dielectrique et de thermocourant

    NASA Astrophysics Data System (ADS)

    Kamoun, S.; Daoud, A.; Von Der Muhll, R.; Ravez, J.

    1993-02-01

    Dielectric, birefringence and thermocurrent measurements have been carried out on NH 3(CH 2) 2NH 3(H 2PO 4) 2 single crystal. Three transitions have been detected at about T 1 = (264 + 4), T 2 = (241 + 5) and T 3 = (141 + 5) K. In the low temperature phases a polarization current of about 10 -8 - 10 -9 A is obtained and can be reversed when the sign of the polarization field is changed, a property which could correspond to a ferroelectric behaviour. However, no pyroelectric current is detected when the temperature decreases from T t. Another hypothesis, based on a field - induced polarization, has been considered : the depolarization current could be due to charge displacements from potential minima favored by rising temperature. In any way, the low - temperature phases are characterized by a remanent polarization.

  1. Increasing the indium incorporation efficiency during InGaN layer growth by suppressing the dissociation of NH3

    NASA Astrophysics Data System (ADS)

    Yang, J.; Zhao, D. G.; Jiang, D. S.; Chen, P.; Zhu, J. J.; Liu, Z. S.; Liu, W.; Liang, F.; Li, X.; Liu, S. T.; Zhang, L. Q.; Yang, H.

    2017-02-01

    Three series of InGaN samples with different growth pressures are grown in a vertical metal organic chemical vapor deposition (MOCVD) system and the indium incorporation efficiency during InGaN layer growth is investigated. It is found that the indium content in InGaN layer decreases when the NH3 flow rate increases at a higher growth pressure and it increases with the NH3 flow rate at a lower growth pressure, This may be attributed to the higher dissociation rate of NH3 into N2 and H2 at a higher growth pressure, leading to a higher H2 concentration in reactor during InGaN growth. Therefore, changing growth conditions to suppress the dissociation of NH3 into N2 and H2 can increase the indium incorporation efficiency during InGaN film growth.

  2. Non-Controlled Emission of Inorganic Toxic gas Components (CO, H2S, NH3 and Hg0) to the atmosphere from Arico's landfill, Tenerife, Canary Islands, Spain

    NASA Astrophysics Data System (ADS)

    Echeita, A.; Perez, C.; Hernandez, C.; Fariña, L.; Lima, R.; Salazar, J.; Hernandez, P.; Perez, N.

    2001-12-01

    Landfill gas is mainly constituted by CO2 and CH4. However, other inorganic toxic gas components such as CO, NH3, H2S and Hg0, are also present. Reduced gas species are produced and released during the anaerobic decomposition of urban waste, while Hg0 is originally present in the waste and it is released as a volatile. Significant amounts of non-controlled emission of these components could be released to the atmosphere in the form of diffuse degassing, The goal of this study is to evaluate the "non-controlled" emissions of these inorganic toxic gas components from Arico's landfill, Tenerife. Arico's landfill (0.35 Km2) holds about 1,200 t/d of urban solid waste with an average organic matter content of 48%. Diffuse CO2 emission has been measured at the surface of Arico's landfill by means of a NDIR according with the accumulation chamber method. Landfill gases were also collected at 40 cm depth using a metallic probe and analyzed within 24 hours for CO2 and CO composition by means of a VARIAN micro-GC QUAD. H2S and Hg0 were analyzed by means of a Polytron-II electrochemical sensor and a JEROME 431-X mercury analyzer, respectively. NH3 was fixed in a boric acid solution and determined by means of a selective electrode. CO concentration ranged from non-detectable to 2,531 ppmv, with a median of 24.3 ppmv. The highest observed Hg0 concentration in the surface landfill gas is 0.004 ppbv, while H2S concentration reached levels up to 12 ppmv. NH3 contents were lower than 1 ppmv. CO, Hg0, H2S and NH3 fluxes have been estimated by multiplying CO2 efflux times (Tox.I.C.)i/CO2 where (Tox.I.C.)i is the concentration of CO, Hg0, H2S and NH3. The highest efflux values for CO, Hg0, H2S and NH3 were 6.8 gm-2d-1, 0.04 µ gm-2d-1, 1.7 mgm-2d-1 and 0.23 gm-2d-1, respectively.

  3. Rational Normalization of Concentration Measures.

    ERIC Educational Resources Information Center

    Bonckaert, P.; Egghe, L.

    1991-01-01

    Discusses normalization features of good concentration measures and extends the range of values of concentration measures that are population-size-independent. Rational normalization is described, and mathematical formulas for the coefficient of variation, Pratt's measure, the Gini index, Theil's measure, and Atkinson's indices are explained. (14…

  4. The relationship between NH3 emissions from a poultry farm and soil NO and N2O fluxes from a downwind forest

    NASA Astrophysics Data System (ADS)

    Skiba, U.; Dick, J.; Storeton-West, R.; Lopez-Fernandez, S.; Woods, C.; Tang, S.; Vandijk, N.

    2006-08-01

    Intensive livestock farms emit large concentrations of NH3, most of which is deposited very close to the source. The presence of trees enhances the deposition. Rates to downwind forests can exceed 40 kg N ha-1 y-1. The steep gradient in large NH3 concentrations of 34.3±20.4, 47.6±24.9, 21.7±16.8 µg NH3 m3 at the edge of a forest 15, 30 and 45 m downwind of the farm to near background concentrations within 270 m downwind (1.15±0.7 µg NH3 m3) provides an ideal site to study the effect of different rates of atmospheric NH3 concentrations and inferred deposition on biological and chemical processes under similar environmental conditions. We have investigated the effect of different NH3 concentrations and implied deposition rates on the flux of NO and N2O from soil in a mixed woodland downwind of a large poultry farm (160 000 birds) in Scotland, which has been operating for about 40 years. Measurements were carried out for a 6 month period, with hourly NO flux measurements, daily N2O fluxes close to the farm and monthly at all sites, and monthly cumulative wet and dry N deposition. The increased NH3 and NH4+ deposition to the woodland increased emissions of NO and N2O and soil available NH4+ and NO3- concentrations. Average NO and N2O fluxes measured 15, 25 and 45 m downwind of the farm were 111.2±41.1, 123.3±40.7, 38.3±28.8 µg NO-N m-2 h-1 and 9.9±7.5, 34.3±33.3 and 21.2±6.1 µg N2O-N m-2 h-1, respectively. At the background site 270 m downwind the N2O flux was reduced to 1.75±2.1 µg N2O-N m-2 h-1. NO emissions were significantly influenced by seasonal and daily changes in soil temperature and followed a diurnal pattern with maximum emissions approximately 3 h after noon. For N2O no consistent diurnal pattern was observed. Changes in soil moisture content had a less clear effect on the NO and N2O flux. In spite of the large NO and N2O emissions accounting for >3% of the N deposited to the woodland downwind of the farm, extrapolation to the entire British

  5. Temporal variation in atmospheric ammonia concentrations above seabird colonies

    NASA Astrophysics Data System (ADS)

    Blackall, T. D.; Wilson, L. J.; Bull, J.; Theobald, M. R.; Bacon, P. J.; Hamer, K. C.; Wanless, S.; Sutton, M. A.

    Recent studies have shown that seabirds are an important source of ammonia (NH 3) emissions in remote coastal ecosystems. Nesting behaviour, which varies between seabird species, is likely to be a major factor in determining the proportion of excreted nitrogen (N) volatilised to the atmosphere as NH 3. A long-term NH 3 monitoring programme was implemented at a Scottish seabird colony with a range of species and associated nesting behaviours. The average monthly NH 3 concentration was measured at 12 locations over a 14-month period, to infer spatial (i.e. species-specific) and temporal (seasonal) changes in NH 3 emissions from different seabird species. An emissions model of seabird NH 3, based on species-specific bioenergetics and behaviour, was applied to produce spatial estimates for input to a dispersion model. Atmospheric NH 3 concentrations demonstrated spatial variability as a result of differing local populations of breeding seabirds, with the highest concentrations measured above cliff nesting species such as Common guillemot Uria aalge, Razorbill Alca torda and Black-legged kittiwake Rissa tridactyla. NH 3 concentrations above a colony of burrow nesting Atlantic puffin Fratercula arctica were low, considering the high number of birds. Emission of NH 3 from excreted N exhibits a time lag of approximately a month. It is likely that all excreted N is lost from the colony by volatilisation as NH 3 or surface run-off between breeding seasons. Modelled NH 3 emissions and concentrations correlated with measured concentrations, but were much higher, reflecting uncertainties in the local turbulent characteristics. The results allow multi-species seabird population data to be used for the calculation of regional and global NH 3 emission inventories, whilst improving understanding of N budgets of remote coastal ecosystems.

  6. Effect of aeration modes on the characteristics of composting emissions and the NH3 removal efficiency by using biotrickling filter.

    PubMed

    Wu, Chuanfu; Wang, Qunhui; Sun, Xiaohong; Xue, Niantao; Liu, Shu; Xie, Weimin

    2011-08-01

    A pilot biotrickling filter (BTF) packed with ZX02 fibrous balls as packing material was tested for the treatment of ammonia (NH(3)) released from a composting plant of dairy manure. In order to investigate the effects of three compost aeration modes (mode Co-I, Co-II and In-II) on the NH(3) removal efficiency, a field experiment was continuously carried out for more than eight months. The results demonstrated that under the intermittent aeration mode (In-II), the NH(3) removal efficiency reached 99.2±0.1% when the inlet NH(3) concentration was 7.5-32.3mg m(-3) (9.8-42.5ppmv). The maximum and critical elimination capacity of the biotrickling filter was 22.6 and 4.9g NH(3)m(-3)h(-1), respectively. The effluent concentration of NH(3) was lower than 1.0mg m(-3), which meets the first class discharge standards of GB14554-93. When the concentration of free ammonia in the trickling liquid was varied from 0.1 to 0.4mg L(-1), the nitrification yield was between 47.9% and 103.8%. In addition, the optimum liquid tricking velocity (LTV) of the biotrickling filter was 0.5m(3)m(-2)h(-1) for low inlet concentrations and 2.2m(3)m(-2)h(-1) for high inlet concentrations. Therefore, the use of the biotrickling filter for the compost under the third aeration mode (In-II) yielded an effective optimum NH(3) removal and reduced the nitrogen loss in the compost. Copyright © 2011 Elsevier Ltd. All rights reserved.

  7. Applications of Kalman filtering to real-time trace gas concentration measurements

    NASA Technical Reports Server (NTRS)

    Leleux, D. P.; Claps, R.; Chen, W.; Tittel, F. K.; Harman, T. L.

    2002-01-01

    A Kalman filtering technique is applied to the simultaneous detection of NH3 and CO2 with a diode-laser-based sensor operating at 1.53 micrometers. This technique is developed for improving the sensitivity and precision of trace gas concentration levels based on direct overtone laser absorption spectroscopy in the presence of various sensor noise sources. Filter performance is demonstrated to be adaptive to real-time noise and data statistics. Additionally, filter operation is successfully performed with dynamic ranges differing by three orders of magnitude. Details of Kalman filter theory applied to the acquired spectroscopic data are discussed. The effectiveness of this technique is evaluated by performing NH3 and CO2 concentration measurements and utilizing it to monitor varying ammonia and carbon dioxide levels in a bioreactor for water reprocessing, located at the NASA-Johnson Space Center. Results indicate a sensitivity enhancement of six times, in terms of improved minimum detectable absorption by the gas sensor.

  8. Applications of Kalman filtering to real-time trace gas concentration measurements

    NASA Technical Reports Server (NTRS)

    Leleux, D. P.; Claps, R.; Chen, W.; Tittel, F. K.; Harman, T. L.

    2002-01-01

    A Kalman filtering technique is applied to the simultaneous detection of NH3 and CO2 with a diode-laser-based sensor operating at 1.53 micrometers. This technique is developed for improving the sensitivity and precision of trace gas concentration levels based on direct overtone laser absorption spectroscopy in the presence of various sensor noise sources. Filter performance is demonstrated to be adaptive to real-time noise and data statistics. Additionally, filter operation is successfully performed with dynamic ranges differing by three orders of magnitude. Details of Kalman filter theory applied to the acquired spectroscopic data are discussed. The effectiveness of this technique is evaluated by performing NH3 and CO2 concentration measurements and utilizing it to monitor varying ammonia and carbon dioxide levels in a bioreactor for water reprocessing, located at the NASA-Johnson Space Center. Results indicate a sensitivity enhancement of six times, in terms of improved minimum detectable absorption by the gas sensor.

  9. Performance Analysis of Rectifier in NH3-H2O Absorption Heat Pump

    NASA Astrophysics Data System (ADS)

    Tsujimori, Atushi; Ozaki, Eiichi; Nakao, Kazushige

    Characteristic of stripping section of packed-tower type rectifierwas presentedin previous paper. In order to improve NH3 concentration inrefrigerant vapor, enriching section is considered effective. Refrigerant vapor from stripping section of rectifier and reflux solution from partial condenser flow into this section, and the proportion of solution flow rate to vapor flow rate of enriching section called reflux ratio is much smaller than that of stripping section. So the effect of reflux ratio on rectification process might be larger. In this paper the effect of reflux flow rate and NH3 concentration in reflux solution is investigated experimentally. As a result, it was derived that the performance of enriching section was mainly decided by reflux ratio. Then the effect of rectification performance on heat rate of partial condenser and evaporator was evaluated using the experimental result of enriching section performance.

  10. Structural determinants of NH3 and NH4+ transport by mouse Rhbg, a renal Rh glycoprotein.

    PubMed

    Abdulnour-Nakhoul, Solange; Le, Trang; Rabon, Edd; Hamm, L Lee; Nakhoul, Nazih L

    2016-12-01

    Renal Rhbg is localized to the basolateral membrane of intercalated cells and is involved in NH3/NH4(+) transport. The structure of Rhbg is not yet resolved; however, a high-resolution crystal structure of AmtB, a bacterial homolog of Rh, has been determined. We aligned the sequence of Rhbg to that of AmtB and identified important sites of Rhbg that may affect transport. Our analysis positioned three conserved amino acids, histidine 183 (H183), histidine 342 (H342), and tryptophan 230 (W230), within the hydrophobic pore where they presumably serve to control NH3 transport. A fourth residue, phenylalanine 128 (F128) was positioned at the upper vestibule, presumably contributing to recruitment of NH4(+) We generated three mutations each of H183, H342, W230, and F128 and expressed them in frog oocytes. Immunolabeling showed that W230 and F128 mutants were localized to the cell membrane, whereas H183 and H342 staining was diffuse and mostly intracellular. To determine function, we compared measurements of NH3/NH4(+) and methyl amine (MA)/methyl ammonium (MA(+))-induced currents, intracellular pH, and surface pH (pHs) among oocytes expressing the mutants, Rhbg, or injected with H2O. In H183 and W230 mutants, NH4(+)-induced current and intracellular acidification were inhibited compared with that of Rhbg, and MA-induced intracellular alkalinization was completely absent. Expression of H183A or W230A mutants inhibited NH3/NH4(+)- and MA/MA(+)-induced decrease in pHs to the level observed in H2O-injected oocytes. Mutations of F128 did not significantly affect transport of NH3 or NH4(+) These data demonstrated that mutating H183 or W230 caused loss of function but not F128. H183 and H342 may affect membrane expression of the transporter.

  11. Comparison of Recombination Dynamics in CH3NH3PbBr3 and CH3NH3PbI3 Perovskite Films: Influence of Exciton Binding Energy.

    PubMed

    Yang, Ye; Yang, Mengjin; Li, Zhen; Crisp, Ryan; Zhu, Kai; Beard, Matthew C

    2015-12-03

    Understanding carrier recombination in semiconductors is a critical component when developing practical applications. Here we measure and compare the monomolecular, bimolecular, and trimolecular (Auger) recombination rate constants of CH3NH3PbBr3 and CH3NH3PbI3. The monomolecular and bimolecular recombination rate constants for both samples are limited by trap-assisted recombination. The bimolecular recombination rate constant for CH3NH3PbBr3 is ∼3.3 times larger than that for CH3NH3PbI3 and both are in line with that found for radiative recombination in other direct-gap semiconductors. The Auger recombination rate constant is 4 times larger in lead-bromide-based perovskite compared with lead-iodide-based perovskite and does not follow the reduced Auger rate when the bandgap increases. The increased Auger recombination rate, which is enhanced by Coulomb interactions, can be ascribed to the larger exciton binding energy, ∼40 meV, in CH3NH3PbBr3 compared with ∼13 meV in CH3NH3PbI3.

  12. Kinetic modelling of NH3 production in N2-H2 non-equilibrium atmospheric-pressure plasma catalysis

    NASA Astrophysics Data System (ADS)

    Hong, Jungmi; Pancheshnyi, Sergey; Tam, Eugene; Lowke, John J.; Prawer, Steven; Murphy, Anthony B.

    2017-04-01

    Detailed plasma kinetics modelling is presented of a low electron energy N2-H2 atmospheric-pressure discharge for ammonia synthesis. The model considers both electron and vibrational kinetics, including excited N2(X, ν) and H2(X, ν) species, and surface reactions such as those occurring by the Eley-Rideal and Langmuir-Hinshelwood mechanisms and dissociative adsorption of molecules. The predictions of the model are compared to the measured NH3 concentration produced in a packed-bed dielectric barrier discharge reactor as a function of process parameters such as input gas composition and applied voltage. Unlike typical low-pressure plasma processes, under the plasma conditions considered here (reduced electric field E/N in the range 30-50 Td, electron density of the order 108 cm-3), the influence of ions is not significant. Instead, the reactions between radicals and vibrationally-excited molecules are more important. The active species in surface reactions, such as surface-adsorbed atomic nitrogen N(s) or hydrogen H(s), are found to be predominantly generated through the dissociative adsorption of molecules, in contrast to previously proposed mechanisms for plasma catalysis under low-pressure, high-E/N conditions. It is found that NH radicals play an important role at the early stages of the NH3-generation process, NH in turn is produced from N and H2(ν). Electron kinetics is shown to play a critical role in the molecular dissociation and vibrational excitation reactions that produce these precursors. It is further found that surface-adsorbed atomic hydrogen H(s) takes a leading role in the formation of NH3, which is another significant difference from the mechanisms in conventional thermo-chemical processes and low-pressure plasmas. The applied voltage, the gas temperature, the N2:H2 ratio in the input gas mixture and the reactivity of the surface material are all found to influence the ammonia production. The calculated results reproduce the observed trends in

  13. Tunable high-efficient pulsed NH3 terahertz lasers

    NASA Astrophysics Data System (ADS)

    Jiu, Zhi-Xian; Li, Qiang; Zuo, Du-Luo; Miao, Liang; Cheng, Zu-Hai

    2012-03-01

    Experimental studies on a tunable efficient high-efficient pulsed NH3 terahertz (THz) lasers pumped by TEA CO2 lasers are presented. When NH3 is pumped by the different lines with the CO2 lasers, the generation of different terahertz radiations is discussed. The lines of the CO2 lasers are 9R(08), 9P(20), 10R(14), 10R(08), and 10R(06). To improve THz laser energy and photon conversion efficiency, different higher power of the CO2 laser can effectively improve THz laser energy and photon conversion efficiency. When the 9P(20) CO2 lasers with 9.68 J and 4.12 J pump NH3, the corresponding energy conversion efficiencies are 0.28% and 0.19%, increasing by a factor of about 1.5. The generation of terahertz radiations with energy as high as 27.29 mJ and 7.73 mJ are obtained, respectively, increasing by a factor of about 3.5. Meanwhile, for 10R(14) line, the energy conversion efficiencies increase to 8.5 times and the energy of THz lasers increase to 32 times.

  14. Tunable high-efficient pulsed NH3 terahertz lasers

    NASA Astrophysics Data System (ADS)

    Jiu, Zhi-Xian; Li, Qiang; Zuo, Du-Luo; Miao, Liang; Cheng, Zu-Hai

    2011-11-01

    Experimental studies on a tunable efficient high-efficient pulsed NH3 terahertz (THz) lasers pumped by TEA CO2 lasers are presented. When NH3 is pumped by the different lines with the CO2 lasers, the generation of different terahertz radiations is discussed. The lines of the CO2 lasers are 9R(08), 9P(20), 10R(14), 10R(08), and 10R(06). To improve THz laser energy and photon conversion efficiency, different higher power of the CO2 laser can effectively improve THz laser energy and photon conversion efficiency. When the 9P(20) CO2 lasers with 9.68 J and 4.12 J pump NH3, the corresponding energy conversion efficiencies are 0.28% and 0.19%, increasing by a factor of about 1.5. The generation of terahertz radiations with energy as high as 27.29 mJ and 7.73 mJ are obtained, respectively, increasing by a factor of about 3.5. Meanwhile, for 10R(14) line, the energy conversion efficiencies increase to 8.5 times and the energy of THz lasers increase to 32 times.

  15. Top-Down Constraints on Air Quality Model Emissions of NH3, NOx, and SO2 using Surface, Aircraft, and Satellite Data

    NASA Astrophysics Data System (ADS)

    Alvarado, M. J.; Lonsdale, C. R.; Winijkul, E.; Brodowski, C. M.; Cady-Pereira, K.; Henze, D. K.; Capps, S.

    2016-12-01

    Accurate modeling of the formation of ozone (O3) and fine particulate matter (PM2.5) requires accurate estimates of the emissions of precursor species such as ammonia (NH3), nitrogen oxides (NOx = NO+NO2) and sulfur dioxide (SO2). Here we present an evaluation of the 2011 EPA National Emission Inventory for NH3, NOx, and SO2 using CMAQv5.0.2 and data from the 2013 NOAA Southeast Nexus (SENEX) field campaign. Model results are compared to surface and aircraft measurements during each campaign, as well as satellite NH3 observations from the NOAA Cross-track Infrared Sounder (CrIS) and satellite observations of NO2 and SO2 from the NASA Ozone Monitoring Instrument (OMI). We also present an evaluation of the California Air Resources Board (CARB) NH3 emissions for 2012 using CMAQ and the CrIS NH3 observations. We discuss the lessons learned in using CrIS NH3 observations in the southeast US, where CMAQ predicts most of the gas-phase NH3 is very close to the surface, and contrast this with the use of CrIS NH3 observations over California. We discuss the use of two methods - a mass balance approach and an approach using the CMAQ adjoint - to optimize these emissions and evaluate the improvement in model performance for gas-phase NH3, NOx, and SO2, as well as for the formation of O3 and PM2.5.

  16. Depletion region effect of highly efficient hole conductor free CH3NH3PbI3 perovskite solar cells.

    PubMed

    Aharon, Sigalit; Gamliel, Shany; El Cohen, Bat; Etgar, Lioz

    2014-06-14

    The inorganic-organic perovskite is currently attracting a lot of attention due to its use as a light harvester in solar cells. The large absorption coefficients, high carrier mobility and good stability of organo-lead halide perovskites present good potential for their use as light harvesters in mesoscopic heterojunction solar cells. This work concentrated on a unique property of the lead halide perovskite, its function simultaneously as a light harvester and a hole conductor in the solar cell. A two-step deposition technique was used to optimize the perovskite deposition and to enhance the solar cell efficiency. It was revealed that the photovoltaic performance of the hole conductor free perovskite solar cell is strongly dependent on the depletion layer width which was created at the TiO2-CH3NH3PbI3 junction. X-ray diffraction measurements indicate that there were no changes in the crystallographic structure of the CH3NH3PbI3 perovskite over time, which supports the high stability of these hole conductor free perovskite solar cells. Furthermore, the power conversion efficiency of the best cells reached 10.85% with a fill factor of 68%, a Voc of 0.84 V, and a Jsc of 19 mA cm(-2), the highest efficiency to date of a hole conductor free perovskite solar cell.

  17. Investigation of the Poisoning Mechanism of Lead on the CeO2-WO3 Catalyst for the NH3-SCR Reaction via in Situ IR and Raman Spectroscopy Measurement.

    PubMed

    Peng, Yue; Si, Wenzhe; Li, Xiang; Chen, Jianjun; Li, Junhua; Crittenden, John; Hao, Jiming

    2016-09-06

    The in situ IR and Raman spectroscopy measurements were conducted to investigate lead poisoning on the CeO2-WO3 catalysts. The deactivation mechanisms were studied with respect to the changes of surface acidity, redox property, nitrate/nitrite adsorption behaviors, and key active sites (note that the results of structure-activity relationship of CeO2-WO3 were based on our previous research). (1) Lewis acid sites originated from CeO2 and crystalline WO3, whereas Brønsted acid sites originated from Ce2(WO4)3. The poisoned catalysts exhibited a lower surface acidity than the fresh catalysts: the number of acid sites decreased, and their thermal stability weakened. (2) The reducibility of catalysts and the amount of active oxygen exhibited a smaller influence after poisoning because lead preferred to bond with surface WOx species rather than CeO2. (3) The quantity of active nitrate species decreased due to the lead coverage on the catalyst and the partial bridged-nitrate species induced by lead exhibited a low degree of activity at 200 °C. (4) Crystalline WO3 and Ce2(WO4)3 originated from the transformation of polytungstate sites. These sites were the key active sites during the SCR process. The formation temperatures of polytungstate on the poisoned catalysts were higher than those on the fresh catalysts.

  18. Constraints on the NH3 and PH3 distributions in the Great Red Spot

    NASA Technical Reports Server (NTRS)

    Wagener, R.; Caldwell, J.; Owen, T.

    1986-01-01

    Medium resolution (10 A) UV spectra were obtained for the Great Red Spot (GRS) and South Tropical Zone (STZ) of Jupiter using the low dispersion mode of the IUE spectrometers at wavelengths from 1900-2200 A. The scans were carried out to determine the coloring agent for the GRS to improve the database for developing photochemical models of the feature. The wavelengths were selected to cover the absorption features of NH3 and PH3. The resulting data were interpreted using a vertically inhomogeneous Rayleigh scattering radiative transfer model. Various NH3 concentrations were explored in an effort to fit the data, taking into account changes which would occur at different atmospheric pressure levels and due to the projected temperature fields. A forbidden NH3/forbidden H2 mixing ratio that was calculated at the 80-125 mbar pressure level in the GRS was enhanced by 3-10 percent relative to the STZ. An upper limit was obtained for the mixing ratio of PH3 in the GRS that is significantly lower than previously predicted concentrations, implying that vertical transport in the GRS is not much greater than in adjacent regions.

  19. Development and evaluation of optical fiber NH3 sensors for application in air quality monitoring

    NASA Astrophysics Data System (ADS)

    Huang, Yu; Wieck, Lucas; Tao, Shiquan

    2013-02-01

    Ammonia is a major air pollutant emitted from agricultural practices. Sources of ammonia include manure from animal feeding operations and fertilizer from cropping systems. Sensor technologies with capability of continuous real time monitoring of ammonia concentration in air are needed to qualify ammonia emissions from agricultural activities and further evaluate human and animal health effects, study ammonia environmental chemistry, and provide baseline data for air quality standard. We have developed fiber optic ammonia sensors using different sensing reagents and different polymers for immobilizing sensing reagents. The reversible fiber optic sensors have detection limits down to low ppbv levels. The response time of these sensors ranges from seconds to tens minutes depending on transducer design. In this paper, we report our results in the development and evaluation of fiber optic sensor technologies for air quality monitoring. The effect of change of temperature, humidity and carbon dioxide concentration on fiber optic ammonia sensors has been investigated. Carbon dioxide in air was found not interfere the fiber optic sensors for monitoring NH3. However, the change of humidity can cause interferences to some fiber optic NH3 sensors depending on the sensor's transducer design. The sensitivity of fiber optic NH3 sensors was found depends on temperature. Methods and techniques for eliminating these interferences have been proposed.

  20. Effects of acute NH3 air pollution on N-sensitive and N-tolerant lichen species.

    PubMed

    Paoli, Luca; Maslaňáková, Ivana; Grassi, Alice; Bačkor, Martin; Loppi, Stefano

    2015-12-01

    Lichens are sensitive to the presence of ammonia (NH3) in the environment. However, in order to use them as reliable indicators in biomonitoring studies, it is necessary to establish unequivocally the occurrence of certain symptoms following the exposure to NH3 in the environment. In this paper, we simulated an episode of acute air pollution due to the release of NH3. The biological effects of acute air pollution by atmospheric NH3 have been investigated using N-sensitive (Flavoparmelia caperata) and N-tolerant (Xanthoria parietina) species. Lichen samples were exposed to ecologically relevant NH3 concentrations for 8 weeks, simulating three areas of impact: a control area (2 μg/m(3)), an area of intermediate impact (2-35 μg/m(3)) and an area of high impact (10-315 μg/m(3)), with a peak of pollution reached between the fourth and fifth week. Ammonia affected both the photobiont and the mycobiont in F. caperata, while in X. parietina only the photosynthetic performance of the photobiont was altered after exposure to the highest concentration. In the photobiont of F. caperata we recorded chlorophyll degradation as indicated by OD435/415 ratio, decrease of the photosynthetic performance (as reflected by the maximum quantum yield of primary photochemistry FV/FM and the performance index PIABS); in the mycobiont, ergosterol reduction, membrane lipid peroxidation (as reflected by the increase of thiobarbituric acid reactive substances), alteration (decrease) of the secondary metabolite usnic acid. No effects were detected on caperatic acid and dehydrogenase activity. In X. parietina, the only signal determined by NH3 was the alteration of FV/FM and the performance index PIABS. The results suggest that physiological parameters in N-sensitive lichens well reflect the effects of NH3 exposure and can be applied as early indicators in monitoring studies.

  1. Comparison of Techniques to Estimate Ammonia Emissions at Cattle Feedlots Using Time-Averaged and Instantaneous Concentration Measurements

    NASA Astrophysics Data System (ADS)

    Shonkwiler, K. B.; Ham, J. M.; Williams, C. M.

    2013-12-01

    Ammonia (NH3) that volatilizes from confined animal feeding operations (CAFOs) can form aerosols that travel long distances where such aerosols can deposit in sensitive regions, potentially causing harm to local ecosystems. However, quantifying the emissions of ammonia from CAFOs through direct measurement is very difficult and costly to perform. A system was therefore developed at Colorado State University for conditionally sampling NH3 concentrations based on weather parameters measured using inexpensive equipment. These systems use passive diffusive cartridges (Radiello, Sigma-Aldrich, St. Louis, MO, USA) that provide time-averaged concentrations representative of a two-week deployment period. The samplers are exposed by a robotic mechanism so they are only deployed when wind is from the direction of the CAFO at 1.4 m/s or greater. These concentration data, along with other weather variables measured during each sampler deployment period, can then be used in a simple inverse model (FIDES, UMR Environnement et Grandes Cultures, Thiverval-Grignon, France) to estimate emissions. There are not yet any direct comparisons of the modeled emissions derived from time-averaged concentration data to modeled emissions from more sophisticated backward Lagrangian stochastic (bLs) techniques that utilize instantaneous measurements of NH3 concentration. In the summer and autumn of 2013, a suite of robotic passive sampler systems were deployed at a 25,000-head cattle feedlot at the same time as an open-path infrared (IR) diode laser (GasFinder2, Boreal Laser Inc., Edmonton, Alberta, Canada) which continuously measured ammonia concentrations instantaneously over a 225-m path. This particular laser is utilized in agricultural settings, and in combination with a bLs model (WindTrax, Thunder Beach Scientific, Inc., Halifax, Nova Scotia, Canada), has become a common method for estimating NH3 emissions from a variety of agricultural and industrial operations. This study will first

  2. A Deuterium NMR Spectroscopic Study of Solid BH(3)NH(3).

    PubMed

    Penner, Glenn H.; Chang, Y. C. Phillis; Hutzal, Jennifer

    1999-06-14

    Deuterium nuclear magnetic resonance (NMR) powder spectra and spin-lattice relaxation times (T(1)) are used to measure the deuterium quadrupolar coupling constants (QCCs) chi(BD) and chi(ND) and to investigate the molecular reorientation of the BD(3) and ND(3) groups in solid deuterated borane monoammoniate, BD(3)NH(3) and BH(3)ND(3), respectively. In the high-temperature, tetragonal, phase (above 225 K) the following Arrhenius parameters are obtained from the temperature-dependent T(1): E(a) = 5.9 +/- 0.5 kJ/mol and tau(infinity) = 1.1 x 10(-)(13) s for BD(3)NH(3); E(a) = 7.3 +/- 0.8 kJ/mol and tau(infinity) = 4.4 x 10(-)(14) s for BH(3)ND(3). In the low-temperature, orthorhombic, phase the following parameters are obtained: E(a) = 26.4 +/- 1.4 kJ/mol and tau(infinity) = 1.2 x 10(-)(17) s for BD(3)NH(3); E(a) = 13.7 +/- 0.9 kJ/mol and tau(infinity) = 5.7 x 10(-)(15) s for BH(3)ND(3). Here tau(infinity) is proportional to the inverse of the usual Arrhenius preexponential factor, A. Deuterium line shape measurements for the low-temperature phase of BD(3)NH(3) yield E(a) = 25 +/- 2 kJ/mol and tau(infinity) = 4.7 x 10(-)(19) s. These dynamic factors indicate that the molecule is probably undergoing whole molecule rotation above the phase transition but the BH(3) and NH(3) groups are undergoing uncorrelated motion in the low-temperature phase. Deuterium quadrupolar coupling constants of 105 +/- 10 and 200 +/- 10 kHz were determined for BD(3)NH(3) and BH(3)ND(3), respectively. Molecular orbital (MO) calculations (CI(SD)/6-31G(d,p)//MP2/6-31G(d,p)) for the isolated molecule yield values of 143 and 255 kHz. MO calculations also show that the deuterium quadrupolar coupling constants chi(BD) and chi(ND) are relatively insensitive to all molecular structural parameters except the B-H and N-H bond lengths, respectively. It is suggested that the large decrease in the QCC on going from the gas phase to the solid state may be due to a slight lengthening of the B-H and N-H bonds

  3. Nitrogen doping of nanoporous WO3 layers by NH3 treatment for increased visible light photoresponse.

    PubMed

    Nah, Yoon-Chae; Paramasivam, Indhumati; Hahn, Robert; Shrestha, Nabeen K; Schmuki, Patrik

    2010-03-12

    Nanoporous WO(3) layers were grown by electrochemical anodization of W in a fluoride containing electrolyte. These layers were exposed to a thermal treatment in NH(3) to achieve nitrogen doping of the material. The morphology, crystal structure, composition and photoresponse of pure and nitrogen doped WO(3) were compared using scanning electron microscopy, x-ray diffraction, x-ray photoelectron spectroscopy, and photoelectrochemical measurements. The results clearly show that successful nitrogen doping into WO(3) layers can be achieved by controlling the temperature and time during the NH(3) treatment. Most importantly, it is demonstrated that for the nitrogen doped WO(3) layers the photocurrent is significantly enhanced in the visible light region.

  4. General working principles of CH3NH3PbX3 perovskite solar cells.

    PubMed

    Gonzalez-Pedro, Victoria; Juarez-Perez, Emilio J; Arsyad, Waode-Sukmawati; Barea, Eva M; Fabregat-Santiago, Francisco; Mora-Sero, Ivan; Bisquert, Juan

    2014-02-12

    Organometal halide perovskite-based solar cells have recently realized large conversion efficiency over 15% showing great promise for a new large scale cost-competitive photovoltaic technology. Using impedance spectroscopy measurements we are able to separate the physical parameters of carrier transport and recombination in working devices of the two principal morphologies and compositions of perovskite solar cells, viz. compact thin films of CH3NH3PbI(3-x)Clx and CH3NH3PbI3 infiltrated on nanostructured TiO2. The results show nearly identical spectral characteristics indicating a unique photovoltaic operating mechanism that provides long diffusion lengths (1 μm). Carrier conductivity in both devices is closely matched, so that the most significant differences in performance are attributed to recombination rates. These results highlight the central role of the CH3NH3PbX3 semiconductor absorber in carrier collection and provide a new tool for improved optimization of perovskite solar cells. We report for the first time a measurement of the diffusion length in a nanostructured perovskite solar cell.

  5. Comparison among NH3 and GHGs emissive patterns from different housing solutions of dairy farms

    NASA Astrophysics Data System (ADS)

    Baldini, Cecilia; Borgonovo, Federica; Gardoni, Davide; Guarino, Marcella

    2016-09-01

    Agriculture and livestock farming are known to be activities emitting relevant quantities of atmospheric pollutants. In particular, in intensive animal farming, buildings can be identified as a relevant source of ammonia and greenhouse gases. This study aimed at: i) determining the emission factors of NH3, N2O, CH4, and CO2 from different dairy farms in Italy, and ii) assessing the effects of the different floor types and manure-handling systems used, in order to minimize the impact of this important productive sector. A measurement campaign was carried out for 27 months in four naturally ventilated dairy cattle buildings with different floor types, layouts and manure management systems, representative of the most common technologies in the north of Italy. Gas emissions were measured with the "static chamber method": a chamber was placed above the floor farm and an infrared photoacoustic detector (IPD) was used to monitor gas accumulation over time. In the feeding alleys, emissions of NH3 were higher from solid floors than from flushing systems and perforated floors. N2O emissions were significantly different among farms but the absolute values were relatively low. CH4 and CO2 emissions were higher from perforated floors than from other types of housing solution. Regarding the cubicles, the emissions of NH3 were approximately equal from the two housing solution studied. Contrariwise, N2O, CH4 and CO2 emissions were different between the cubicles with rubber mat and those with straw where the highest values were found.

  6. Laboratory rotational ground state transitions of NH3D+ and CF+

    NASA Astrophysics Data System (ADS)

    Stoffels, A.; Kluge, L.; Schlemmer, S.; Brünken, S.

    2016-09-01

    Aims: This paper reports accurate laboratory frequencies of the rotational ground state transitions of two astronomically relevant molecular ions, NH3D+ and CF+. Methods: Spectra in the millimetre-wave band were recorded by the method of rotational state-selective attachment of He atoms to the molecular ions stored and cooled in a cryogenic ion trap held at 4 K. The lowest rotational transition in the A state (ortho state) of NH3D+ (JK = 10-00), and the two hyperfine components of the ground state transition of CF+ (J = 1-0) were measured with a relative precision better than 10-7. Results: For both target ions, the experimental transition frequencies agree with recent observations of the same lines in different astronomical environments. In the case of NH3D+ the high-accuracy laboratory measurements lend support to its tentative identification in the interstellar medium. For CF+ the experimentally determined hyperfine splitting confirms previous quantum-chemical calculations and the intrinsic spectroscopic nature of a double-peaked line profile observed in the J = 1-0 transition towards the Horsehead photon-dominated region (PDR).

  7. An Experimental Investigation of Collisions of NH3 with Para-H2 at the Temperatures of Cold Molecular Clouds

    NASA Astrophysics Data System (ADS)

    Willey, D. R.; Timlin, R. E., Jr.; Merlin, J. M.; Sowa, M. M.; Wesolek, D. M.

    2002-03-01

    Experimentally measured cross sections for collisional broadening of ammonia by J=0, para-H2 are presented for the (J,K)=(1,1),(2,2), and (3,3) NH3 inversion transitions at temperatures from 12.5 to 40 K. The cross sections were obtained in a quasi-equilibrium environment utilizing the collisional cooling technique. These are the first laboratory measurements of interactions between NH3 and J=0, para-H2 at the temperatures of cold molecular clouds. The measured cross sections are compared to theoretical predictions using two existing ab initio NH3-H2 potential surfaces and to previously measured He broadening cross sections. In comparison to He broadening cross sections at these temperatures, the para-H2 results are up to 4 times larger. This is in contrast to 300 K experimental results where para-H2 cross sections are only 50% larger than He.

  8. Lead free CH3NH3SnI3 perovskite thin-film with p-type semiconducting nature and metal-like conductivity

    NASA Astrophysics Data System (ADS)

    Iefanova, Anastasiia

    CH3NH3SnI3 and CH3NH3PbI3 have become very promising light absorbing materials for photovoltaic devices over the last several years. CH3NH3PbI3 based perovskite solar cells have reached a solar-to-electricity conversion efficiency of ˜ 22%. Nevertheless, CH3NH3PbI3 perovskite solar cells contain lead, which has serious consequences for the environment and human health. In this work, the lead was replaced with less toxic tin. Lead free CH3NH3SnI3 perovskite thin film was prepared by two low temperature solution processing methods and characterized using various tools such as X-ray Diffraction (XRD) and absorption spectroscopy (UV-VIS). The distinctive p-type semiconducting nature and metal like conductivity of CH3NH3SnI3 were confirmed by the measurements of electrical and optical properties. Crystal structures and uniform film formation of CH3NH3SnI 3 layer were analyzed by XRD and scanning electron microscopy (SEM). The CH3NH3SnI3 film morphology, uniformity, light absorption and electrical properties strongly depend on the preparation methods and precursor solutions. The CH3NH3SnI 3 perovskites fabricated using dimethylformamide (DMF) exhibited higher crystallinity and stronger light harvesting capability than those fabricated using a blend solvent of dimethyl sulfoxide (DMSO) and gamma-butyrolactone (GBL). The local nanoscale photocurrent mapping confirmed that CH3NH 3SnI3 can be used as an active layer and has a potential to fabricate lead free photovoltaic devices. The CH3NH3SnI 3 film also showed a strong absorption in visible and near infrared spectrum with an absorption onset of 1.3 eV.

  9. Conductivity of p(AAc) Cryogel and Its Li+, Na+, and K+ Salts for NH3 Sensing

    NASA Astrophysics Data System (ADS)

    Sahiner, Nurettin; Demirci, Sahin; Sel, Kivanc

    2016-07-01

    Poly(acrylic acid) [p(AAc)] cryogel has been synthesized by a cryopolymerization technique under cryogenic conditions. The synthesized p(AAc) cryogel was treated with LiOH, NaOH, and KOH to generate corresponding salt forms of carboxylic acid groups within the p(AAc) cryogel network for activation as p(AAc)-Li+, p(AAc)-Na+, and p(AAc)-K+, respectively. The synthesized p(AAc)-based cryogels were characterized via Fourier-transform infrared (FT-IR) spectroscopy, thermogravimetric analysis, and scanning electron microscopy. The room-temperature electrical conductivity of the p(AAc), p(AAc)-Li+, p(AAc)-Na+, and p(AAc)-K+ cryogels was measured as 10-11 S cm-1, 10-10 S cm-1, 10-9 S cm-1, and 10-8 S cm-1, respectively. Furthermore, the p(AAc) cryogel and its salt forms were tested as sensor materials for NH3 gas by exposing them to NH3 vapor for 60 min under ambient conditions. Upon exposure to NH3 vapor, it was found that the conductivity of the bare p(AAc) and p(AAc)-K+ cryogels increased by up to 105- and 102-fold, respectively, compared with their NH3 unexposed states. The increase in conductivity for the other salt forms of p(AAc) cryogel was about 60-fold compared with their bare form. The conductivity increase for the p(AAc) and p(AAc)-K+ cryogels was therefore further investigated by changing the NH3 vapor exposure time, revealing that these materials could be used as sensors for NH3. It was further found that a 5 min NH3 gas exposure time was sufficient for p(AAc)-K+ cryogel to generate a detectable response via a change in the conductivity of the matrix.

  10. Sensing Mechanisms for Carbon Nanotube Based NH3 Gas Detection

    SciTech Connect

    Peng, Ning; Zhang, Qing; Chow, Chee L.; Tan, Ooi K.; Marzari, Nicola N.

    2009-03-31

    There has been an argument on carbon nanotube (CNT) based gas detectors with a field-effect transistor (FET) geometry: do the response signals result from charge transfer between adsorbed gas molecules and the CNT channel and/or from the gas species induced Schottky barrier modulation at the CNT/metal contacts? To differentiate the sensing mechanisms, we employed three CNTFET structures, i.e., (1) the entire CNT channel and CNT/electrode contacts are accessible to NH3 gas; (2) the CNT/electrode contacts are passivated with a Si3N4 thin film, leaving the CNT channel open to the gas and, in contrast, (3) the CNT channel is covered with the film, while the contacts are open to the gas. We suggest that the Schottky barrier modulation at the contacts is the dominant mechanism from room temperature to 150°C. At higher temperatures, the charge transfer process contributes to the response signals. There is a clear evidence that the adsorption of NH3 on the CNT channel is facilitated by environmental oxygen.

  11. Sensing mechanisms for carbon nanotube based NH3 gas detection.

    PubMed

    Peng, Ning; Zhang, Qing; Chow, Chee Lap; Tan, Ooi Kiang; Marzari, Nicola

    2009-04-01

    There has been an argument on carbon nanotube (CNT) based gas detectors with a field-effect transistor (FET) geometry: do the response signals result from charge transfer between adsorbed gas molecules and the CNT channel and/or from the gas species induced Schottky barrier modulation at the CNT/metal contacts? To differentiate the sensing mechanisms, we employed three CNTFET structures, i.e., (1) the entire CNT channel and CNT/electrode contacts are accessible to NH(3) gas; (2) the CNT/electrode contacts are passivated with a Si(3)N(4) thin film, leaving the CNT channel open to the gas and, in contrast, (3) the CNT channel is covered with the film, while the contacts are open to the gas. We suggest that the Schottky barrier modulation at the contacts is the dominant mechanism from room temperature to 150 degrees C. At higher temperatures, the charge transfer process contributes to the response signals. There is a clear evidence that the adsorption of NH(3) on the CNT channel is facilitated by environmental oxygen.

  12. Collisional excitation of NH3 by atomic and molecular hydrogen

    NASA Astrophysics Data System (ADS)

    Bouhafs, N.; Rist, C.; Daniel, F.; Dumouchel, F.; Lique, F.; Wiesenfeld, L.; Faure, A.

    2017-09-01

    We report extensive theoretical calculations on the rotation-inversion excitation of interstellar ammonia (NH3) due to collisions with atomic and molecular hydrogen (both para- and ortho-H2). Close-coupling calculations are performed for total energies in the range 1-2000 cm-1 and rotational cross-sections are obtained for all transitions amongst the lowest 17 and 34 rotation-inversion levels of ortho- and para-NH3, respectively. Rate coefficients are deduced for kinetic temperatures up to 200 K. Propensity rules for the three colliding partners are discussed and we also compare the new results to previous calculations for the spherically symmetrical He and para-H2 projectiles. Significant differences are found between the different sets of calculations. Finally, we test the impact of the new rate coefficients on the calibration of the ammonia thermometer. We find that the calibration curve is only weakly sensitive to the colliding partner and we confirm that the ammonia thermometer is robust.

  13. Phase polymorphism of novel [Ru(NH3)6](ClO4)3—Comparison with [Ru(NH3)6](BF4)3. Part II

    NASA Astrophysics Data System (ADS)

    Dołęga, Diana; Mikuli, Edward; Górska, Natalia; Inaba, Akira; Hołderna-Natkaniec, Krystyna; Nitek, Wojciech

    2013-08-01

    [Ru(NH3)6](ClO4)3 undergoes two phase transitions at: TC1=290.3 K and TC2=74.8 K , thus exhibits three crystalline phases in the temperature range of 5-310 K. For the detected phase transitions, thermal effects were determined. Fourier transform far- and middle-infrared spectra (FT-FIR and FT-MIR), recorded at 8-350 K, suggest that reorientational motions of the NH3 ligands are very fast (τR≈10-12 s above TC1) and are significantly slowed down below TC2. X-ray single crystal diffraction (XRSCD) measurements revealed that in the high temperature phase (above TC1) the compound belongs to the cubic Fm3barm (No. 225) space group, whereas in the intermediate phase the unit cell parameter doubles and the space group is Ia3bar(No. 206). 1H NMR studies revealed that the following reorientational motions are liberated during heating: three-fold reorientation of NH3 ligands, three-fold reorientation of the entire [Ru(NH3)6]3+ cation, and isotropic reorientation of this cation. In the high temperature phase I the cations perform isotropic reorientations with the estimated activation energy equal to ca. 30.1 kJ mol-1. Comparison with adequate results obtained earlier for [Ru(NH3)6](BF4)3 and for other similar compounds was made and general regularities were drawn.

  14. Shape-Evolution Control of hybrid perovskite CH3NH3PbI3 crystals via solvothermal synthesis

    NASA Astrophysics Data System (ADS)

    Zhang, Baohua; Guo, Fuqiang; Yang, Lianhong; Jia, Xiuling; Liu, Bin; Xie, Zili; Chen, Dunjun; Lu, Hai; Zhang, Rong; Zheng, Youdou

    2017-02-01

    We systematically synthesized CH3NH3PbI3 crystals using solvothermal process, and the reaction conditions such as concentration of the precursor, temperature, time, and lead source have been comprehensively investigated to obtain shape-controlled CH3NH3PbI3 crystals. The results showed that the CH3NH3PbI3 crystals exhibit tetragonal phase and the crystals change from nanoparticles to hopper-faced cuboids. Photoluminescence spectra of the crystals obtained with different lead sources show a blue shift due to the presence of defects in the crystals, and the peak intensity is very sensitive to the lead sources. Moreover, impurities (undesirable byproducts and excess components like HI or CH3NH2) presented during crystal growth can result in hopper growth.

  15. Enhancement of NH3 sensing performance in flower-like ZnO nanostructures and their growth mechanism

    NASA Astrophysics Data System (ADS)

    Zhang, Yu; Liu, Tianmo; Hao, Jinghua; Lin, Liyang; Zeng, Wen; Peng, Xianghe; Wang, Zhongchang

    2015-12-01

    ZnO nanostructures hold substantial promise for gas-sensing applications owing to their outstanding ethanol sensing performance, yet their sensing performance toward NH3 has rarely been reported. Here, we report on a successful preparation of sunflower-like ZnO nanostructures and ZnO nanoparticle via a facile hydrothermal method, and demonstrate that the ZnO nanoflowers have high gas-sensing performances toward NH3 under a low concentration of 10-50 ppm. Further structural characterization reveals that the sunflower-like nanostructure comprises six triangles-like and one sphere-like nanostructures, and the triangle-like nanostructure is single crystalline with {0 0 1} crystal face. As a consequence of their unique morphology, the nanoflowers show much improved NH3 sensing performances than the nanoparticles with a high sensitivity of 49.5.

  16. Influence of NH3 on secondary organic aerosols from the ozonolysis and photooxidation of α-pinene in a flow reactor

    NASA Astrophysics Data System (ADS)

    Babar, Zaeem Bin; Park, Jun-Hyun; Lim, Ho-Jin

    2017-09-01

    This study presents detailed characterizations of a newly-developed flow reactor including (1) residence time distribution measurements, (2) relative humidity (RH) and temperature control, and (3) OH radical exposure range (i.e., atmospheric aging time). Hydroxyl (OH) radical exposures ranged from 8.20 × 1010 to 7.22 × 1011 molecules cm-3 s (0.5-4.9 d of atmospheric aging). In this study, the effects of NH3 gas on the secondary organic aerosol (SOA) formation of α-pinene by dark ozonolysis and photooxidation were investigated using the newly-developed flow reactor. For both dark α-pinene ozonolysis and photooxidation, higher SOA yields were observed in the presence of NH3 than in the absence of NH3. At RH of ∼50%, the SOA yield for ozonolysis and photooxidation in the presence of NH3 increased by 23% and 15% relative to those in the absence of NH3. Similar effects were observed at lower and higher RH conditions. Fourier transform infrared spectroscopy analysis confirmed the presence of nitrogen-containing functional groups in SOA formed in the presence of NH3. The α-pinene SOA formed in the presence of NH3 showed higher absorption and fluorescence for UV-visible radiation than those formed in the absence of NH3.

  17. Measuring Hydrogen Concentrations in Metals

    NASA Technical Reports Server (NTRS)

    Danford, M. D.

    1985-01-01

    Commercial corrosion-measurement system adapted to electrochemical determination of hydrogen concentrations in metals. New technique based on diffusion of hydrogen through foil specimen of metal. In sample holder, hydrogen produced on one side of foil, either by corrosion reaction or by cathodic current. Hydrogen diffused through foil removed on other side by constant anode potential, which leads to oxidation of hydrogen to water. Anode current is measure of concentration of hydrogen diffusing through foil. System used to study hydrogen uptake, hydrogen elimination by baking, effect of heat treatment, and effect of electroplating on high-strength steels.

  18. Measuring Hydrogen Concentrations in Metals

    NASA Technical Reports Server (NTRS)

    Danford, M. D.

    1985-01-01

    Commercial corrosion-measurement system adapted to electrochemical determination of hydrogen concentrations in metals. New technique based on diffusion of hydrogen through foil specimen of metal. In sample holder, hydrogen produced on one side of foil, either by corrosion reaction or by cathodic current. Hydrogen diffused through foil removed on other side by constant anode potential, which leads to oxidation of hydrogen to water. Anode current is measure of concentration of hydrogen diffusing through foil. System used to study hydrogen uptake, hydrogen elimination by baking, effect of heat treatment, and effect of electroplating on high-strength steels.

  19. Radio-Frequency-Based NH3-Selective Catalytic Reduction Catalyst Control: Studies on Temperature Dependency and Humidity Influences

    PubMed Central

    Dietrich, Markus; Hagen, Gunter; Reitmeier, Willibald; Burger, Katharina; Hien, Markus; Grass, Philippe; Kubinski, David; Visser, Jaco; Moos, Ralf

    2017-01-01

    The upcoming more stringent automotive emission legislations and current developments have promoted new technologies for more precise and reliable catalyst control. For this purpose, radio-frequency-based (RF) catalyst state determination offers the only approach for directly measuring the NH3 loading on selective catalytic reduction (SCR) catalysts and the state of other catalysts and filter systems. Recently, the ability of this technique to directly control the urea dosing on a current NH3 storing zeolite catalyst has been demonstrated on an engine dynamometer for the first time and this paper continues that work. Therefore, a well-known serial-type and zeolite-based SCR catalyst (Cu-SSZ-13) was investigated under deliberately chosen high space velocities. At first, the full functionality of the RF system with Cu-SSZ-13 as sample was tested successfully. By direct RF-based NH3 storage control, the influence of the storage degree on the catalyst performance, i.e., on NOx conversion and NH3 slip, was investigated in a temperature range between 250 and 400 °C. For each operation point, an ideal and a critical NH3 storage degree was found and analyzed in the whole temperature range. Based on the data of all experimental runs, temperature dependent calibration functions were developed as a basis for upcoming tests under transient conditions. Additionally, the influence of exhaust humidity was observed with special focus on cold start water and its effects to the RF signals. PMID:28704929

  20. Reversible flexible structural changes in multidimensional MOFs by guest molecules (I2, NH3) and thermal stimulation

    NASA Astrophysics Data System (ADS)

    Chen, Yang; Li, Libo; Yang, Jiangfeng; Wang, Shuang; Li, Jinping

    2015-03-01

    Three metal-organic frameworks (MOFs), [Cu(INA)2], [Cu(INA)2I2] and [Cu(INA)2(H2O)2(NH3)2], were synthesized with 3D, 2D, and 0D structures, respectively. Reversible flexible structural changes of these MOFs were reported. Through high temperature (60-100 °C) stimulation of I2 or ambient temperature stimulation of NH3, [Cu(INA)2] (3D) converted to [Cu(INA)2I2] (2D) and [Cu(INA)2(H2O)2(NH3)2] (0D); as the temperature increased to 150 °C, the MOFs changed back to their original form. In this way, this 3D MOF has potential application in the capture of I2 and NH3 from polluted water and air. XRD, TGA, SEM, NH3-TPD, and the measurement of gas adsorption were used to describe the changes in processes regarding the structure, morphology, and properties.

  1. Enhanced Performance of Perovskite CH3NH3PbI3 Solar Cell by Using CH3NH3I as Additive in Sequential Deposition.

    PubMed

    Xie, Yian; Shao, Feng; Wang, Yaoming; Xu, Tao; Wang, Deliang; Huang, Fuqiang

    2015-06-17

    Sequential deposition is a widely adopted method to prepare CH3NH3PbI3 on mesostructured TiO2 electrode for organic lead halide perovskite solar cells. However, this method often suffers from the uncontrollable crystal size, surface morphology, and residual PbI2 in the resulting CH3NH3PbI3, which are all detrimental to the device performance. We herein present an optimized sequential solution deposition method by introducing different amount of CH3NH3I in PbI2 precursor solution in the first step to prepare CH3NH3PbI3 absorber on mesoporous TiO2 substrates. The addition of CH3NH3I in PbI2 precursor solution can affect the crystallization and composition of PbI2 raw films, resulting in the variation of UV-vis absorption and surface morphology. Proper addition of CH3NH3I not only enhances the absorption but also improves the efficiency of CH3NH3PbI3 solar cells from 11.13% to 13.37%. Photoluminescence spectra suggest that the improvement of device performance is attributed to the decrease of recombination rate of carriers in CH3NH3PbI3 absorber. This current method provides a highly repeatable route for enhancing the efficiency of CH3NH3PbI3 solar cell in the sequential solution deposition method.

  2. The tropospheric abundances of NH3 and PH3 in Jupiter's Great Red Spot, from Voyager IRIS observations.

    PubMed

    Griffith, C A; Bezard, B; Owen, T; Gautier, D

    1992-01-01

    To investigate the chemistry and dynamics of Jupiter's Great Red Spot (GRS), the tropospheric abundances of NH3 and PH3 in the GRS are determined and compared to those of the surrounding region, the South Tropical Zone (STZ). These gases well up from deep in the atmosphere, and, in the upper troposphere, are depleted by condensation (in the case of NH3), chemical reactions, and UV photolysis. At Jupiter's tropopause, the chemical lifetimes of NH3 and PH3 are comparable to the time constant for vertical transport over the atmospheric scale height. The distributions of these gases are therefore diagnostic of the rate of vertical transport in the upper troposphere and lower stratosphere. Three groups of Voyager IRIS spectra are analyzed, two of the STZ and one of the GRS. The two groups of STZ spectra are defined on the basis of their radiances at 602 and 226 cm-1, which reflect, respectively, the temperature near 150 mbar and the cloud opacity in the 300-600 mbar region. One selection of STZ spectra is chosen to have the same radiance as does the GRS at 226 cm-1. The other STZ selection has a significantly greater radiance, indicative of reduced cloudiness. Variations in the abundances of NH3 and PH3 are determined within the STZ, as a background for our studies of the GRS. Within the uncertainty of our measurements (-55% and +75%), the PH3 mixing ratio at 600 mbar is 3 x 10(-7), the same for all three selections. The NH3 mixing ratio profile in the pressure region between 300 and 600 mbar is the same within error (-25% and +50% at 300 mbar) for both STZ selections. In the GRS, however, NH3 is significantly depleted at 300 mbar, with an abundance of 25% that derived for the STZ selections. Since the GRS is believed to be a region of strong vertical transport, our finding of a depletion of NH3 below the tropopause within the GRS is particularly unexpected. One of the STZ selections has a temperature-pressure profile similar to that of the GRS below the 300-mbar level

  3. Evaluation of a plant material-based air purifier for removing H2S, NH3 and swine manure odour.

    PubMed

    Zhou, Xuezhi; Zhang, Qiang; Huang, Anhong

    2012-12-01

    A plant material-based air purifier (PMAP) was evaluated for odour removal. Laboratory tests were performed using two identical chambers: one treated by PMAP, and one as the control. Swine manure, hydrogen sulphide (H2S) and ammonia (NH3) were tested as odour sources. The test was also conducted in a swine barn. Air samples were taken from test chambers and two rooms in the pig barn and analysed for H2S, NH3 and odour concentrations. When treated with PMAP, the H2S concentration in the sealed chamber was subject to exponential decay, with the decay constant ranging from 0.59 to 0.70 l/h. The H2S concentration was reduced from 20 to 3 ppm in 3 h and to 0.2 ppm in 7h for H2S produced by chemical reaction, and from 0.4 to 0.02 ppm in 3 h for swine manure as the odour source. When an equal amount of ammonia solution was placed in the two test chambers, the NH3 concentration reached a peak value of 25 ppm in the chamber treated by PMAP, and 43 ppm in the control. The NH3 concentration in the treated chamber was reduced to 5 ppm in 3.5 h but stayed at 37 ppm in the control. The PMAP reduced the NH3 concentration from 38 to 10 ppm when swine manure was used as the odour source. The PMAP was capable of reducing swine odour in both laboratory and in-barn conditions. The reduction rate was at least 50%. The results from this research indicate the plant-based materials provide an alternative, environmentally friendly way for odour control. It is also shown that the mode of odour reduction by the PMAP was the removal of odour compounds, in contrast to odour masking, which occurs for most plant materials that have been used for odour control.

  4. Measurement and modeling of atmospheric flux of ammonia from dairy milking cow housing

    NASA Astrophysics Data System (ADS)

    Rumburg, Brian; Mount, George H.; Filipy, Jenny; Lamb, Brian; Westberg, Hal; Yonge, David; Kincaid, Ron; Johnson, Kristen

    Atmospheric ammonia (NH3) measurements are needed to better understand the impacts of NH3 emissions on aerosol formation and concentrations and anthropogenic changes to the N cycle. This paper describes concentration measurements of NH3 using differential optical absorption spectroscopy (DOAS), tracer ratio flux experiments, and development of a NH3 emissions model from a dairy milking cow free stall house with concrete floors. An area source tracer gas ratio method was used to determine NH3 fluxes which involved releasing SF6 as the tracer gas from the upwind edge of the stalls and measuring the tracer concentration downwind along with the DOAS NH3 measurements. The flux is calculated from the ratio of the NH3 and SF6 concentrations and the SF6 release rate and taking into account the differences in area and dispersion. The measured stall flux for the summers averaged 29±19gNH3cow-1h-1 at an average temperature of 18±5C. The emissions model calculated liquid NH3 concentrations in urine puddles, NH3 volatilization, theoretical and empirical mass transfer to the bulk atmosphere, and NH3 transport. The predicted concentrations were within ±30% using an empirical mass transfer coefficient and within ±41% using a theoretical mass transfer coefficient. Total annual NH3 emissions for the dairy of 185 milking cows was 7400 kg or 40kgNH3cow-1year-1, estimated total N excretions are 180kgcow-1year-1. This agrees with a N mass balance of the dairy. The model was very sensitive to urine puddle pH and also showed that emissions are temperature dependent.

  5. Emission factor of ammonia (NH3) from on-road vehicles in China: tunnel tests in urban Guangzhou

    NASA Astrophysics Data System (ADS)

    Liu, Tengyu; Wang, Xinming; Wang, Boguang; Ding, Xiang; Deng, Wei; Lü, Sujun; Zhang, Yanli

    2014-05-01

    Ammonia (NH3) is the primary alkaline gas in the atmosphere that contributes to formation of secondary particles. Emission of NH3 from vehicles, particularly gasoline powered light duty vehicles equipped with three-way catalysts, is regarded as an important source apart from emissions from animal wastes and soils, yet measured emission factors for motor vehicles are still not available in China, where traffic-related emission has become an increasingly important source of air pollutants in urban areas. Here we present our tunnel tests for NH3 from motor vehicles under ‘real world conditions’ in an urban roadway tunnel in Guangzhou, a central city in the Pearl River Delta (PRD) region in south China. By attributing all NH3 emissions in the tunnel to light-duty gasoline vehicles, we obtained a fuel-based emission rate of 2.92 ± 0.18 g L-1 and a mileage-based emission factor of 229.5 ± 14.1 mg km-1. These emission factors were much higher than those measured in the United States while measured NO x emission factors (7.17 ± 0.60 g L-1 or 0.56 ± 0.05 g km-1) were contrastingly near or lower than those previously estimated by MOBILE/PART5 or COPERT IV models. Based on the NH3 emission factors from this study, on-road vehicles accounted for 8.1% of NH3 emissions in the PRD region in 2006 instead of 2.5% as estimated in a previous study using emission factors taken from the Emission Inventory Improvement Program (EIIP) in the United States.

  6. A variationally computed line list for hot NH3

    NASA Astrophysics Data System (ADS)

    Yurchenko, S. N.; Barber, R. J.; Tennyson, J.

    2011-05-01

    We present 'BYTe', a comprehensive 'hot' line list for the ro-vibrational transitions of ammonia, 14NH3, in its ground electronic state. This line list has been computed variationally using the program suite TROVE, a new spectroscopically determined potential energy surface and an ab initio dipole moment surface. BYTe, is designed to be used at all temperatures up to 1500 K. It comprises 1138 323 351 transitions in the frequency range from 0 to 12 000 cm-1, constructed from 1373 897 energy levels below 18 000 cm-1 having J values ≤36. Comparisons with laboratory data confirm the accuracy of the line list which is suitable for modelling a variety of astrophysical problems including the atmospheres of extrasolar planets and brown dwarfs.

  7. Metal-Borohydride-Modified Zr(BH4 )4 ⋅8 NH3 : Low-Temperature Dehydrogenation Yielding Highly Pure Hydrogen.

    PubMed

    Huang, Jianmei; Ouyang, Liuzhang; Gu, Qinfen; Yu, Xuebin; Zhu, Min

    2015-10-12

    Due to its high hydrogen density (14.8 wt %) and low dehydrogenation peak temperature (130 °C), Zr(BH4 )4 ⋅8 NH3 is considered to be one of the most promising hydrogen-storage materials. To further decrease its dehydrogenation temperature and suppress its ammonia release, a strategy of introducing LiBH4 and Mg(BH4 )2 was applied to this system. Zr(BH4 )4 ⋅8 NH3 -4 LiBH4 and Zr(BH4 )4 ⋅8 NH3 -2 Mg(BH4 )2 composites showed main dehydrogenation peaks centered at 81 and 106 °C as well as high hydrogen purities of 99.3 and 99.8 mol % H2 , respectively. Isothermal measurements showed that 6.6 wt % (within 60 min) and 5.5 wt % (within 360 min) of hydrogen were released at 100 °C from Zr(BH4 )4 ⋅8 NH3 -4 LiBH4 and Zr(BH4 )4 ⋅8 NH3 -2 Mg(BH4 )2 , respectively. The lower dehydrogenation temperatures and improved hydrogen purities could be attributed to the formation of the diammoniate of diborane for Zr(BH4 )4 ⋅8 NH3 -4 LiBH4 , and the partial transfer of NH3 groups from Zr(BH4 )4 ⋅8 NH3 to Mg(BH4 )2 for Zr(BH4 )4 ⋅8 NH3 -2 Mg(BH4 )2 , which result in balanced numbers of BH4 and NH3 groups and a more active H(δ+) ⋅⋅⋅(-δ) H interaction. These advanced dehydrogenation properties make these two composites promising candidates as hydrogen-storage materials. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. Electronic structure, stability, and formation dynamics of hypervalent molecular clusters: CH 3NH 3(CH 3NH 2) n

    NASA Astrophysics Data System (ADS)

    Okai, Nobuhiro; Takahata, Akihiro; Fuke, Kiyokazu

    2004-03-01

    The formation and decay processes of CH 3NH 3(CH 3NH 2) n produced by the photolysis of (CH 3NH 2) n are studied by a pump-probe technique with femtosecond laser. The dissociation time of CH 3NH 2 in clusters is estimated to be less than 500 fs, while the formation time of CH 3NH 3(CH 3NH 2) n is less than 2 ps in the photolysis at 200 nm. The lifetime of free CH 3NH 3 is determined to be 30 ps and is elongated by 10 5 times in clusters. The ionization potentials and the binding energies of these clusters are determined by photoionization threshold measurements. On the basis of these results, the formation and decay processes for these clusters are discussed.

  9. CH3NH3PbI3, A Potential Solar Cell Candidate: Structural and Spectroscopic Investigations.

    PubMed

    Nandi, Pronoy; Giri, Chandan; Joseph, Boby; Rath, S; Manju, U; Topwal, D

    2016-12-15

    Hybrid organic-inorganic metal halides of the type CH3NH3PbX3 have emerged as potential materials for photovoltaic applications. In this paper we discuss structural, electronic, and optical spectroscopy investigations performed on high quality single crystals of CH3NH3PbI3. Our results conclusively suggest that CH3NH3PbI3 crystallizes in centrosymmetric space group and the methylammonium moiety exhibits disordered packing at room temperature. Extracted values of the exciton binding energy, the electron-phonon coupling constant, and the schematic energy level diagram constructed from the emission broadening, Raman, and photoemission spectroscopy measurements clearly show the potential of this system in photovoltaic applications.

  10. Global Ammonia Concentrations Seen by the 13-years AIRS Measurements

    NASA Astrophysics Data System (ADS)

    Warner, Juying; Wei, Zigang; Larrabee Strow, L.; Dickerson, Russell; Nowak, John; Wang, Yuxuan

    2016-04-01

    Ammonia is an integral part of the nitrogen cycle and is projected to be the largest single contributor to each of acidification, eutrophication and secondary particulate matter in Europe by 2020 (Sutton et al., 2008). The impacts of NH3 also include: aerosol production affecting global radiative forcing, increases in emissions of the greenhouse gases nitrous oxide (N2O) and methane (CH4), and modification of the transport and deposition patterns of SO2 and NOx. Therefore, monitoring NH3 global distribution of sources is vitally important to human health with respect to both air and water quality and climate change. We have developed new daily and global ammonia (NH3) products from AIRS hyperspectral measurements. These products add value to AIRS's existing products that have made significant contributions to weather forecasts, climate studies, and air quality monitoring. With longer than 13 years of data records, these measurements have been used not only for daily monitoring purposes but also for inter-annual variability and short-term trend studies. We will discuss the global NH3 emission sources from biogenic and anthropogenic activities over many emission regions captured by AIRS. We will focus their variability in the last 13 years.

  11. Separation of H2S and NH3 gases from tofu waste water-based biogas using activated carbon adsorption

    NASA Astrophysics Data System (ADS)

    Harihastuti, Nani; Purwanto, P.; Istadi, I.

    2015-12-01

    Research on the separation of H2S and NH3 gases from tofu waste water-based biogas has been conducted to improve the content of CH4 of biogas in order to increase calorific value. Biogas from tofu waste water contained many kinds of gases such as: CH4 of 53-64%, CO2 of 36-45%, H2S of 3,724-5,880 mg/Nm3, NH3 of 0.19-70.36 mg/Nm3, and H2O of 33,800-19,770,000 mg/Nm3. In fact, CO2, H2S, NH3, and moisture are impurities that have disturbance to human and environment, so that they are necessary to be separated from biogas. Particularly, H2S and NH3 have high toxicity to people, particularly the workers in the tofu industry. Therefore, separation of H2S and NH3 from biogas to increase calorific value is the focus of this research. The method used in this research is by adsorption of H2S and NH3 gases using activated carbon as adsorbent. It also used condensation as pretreatment to remove moisture content in biogas. Biogas was flowed to adsorption column (70 cm height and 9 cm diameter containing activated carbon as much as 500 g) so that the H2S and NH3 gases were adsorbed. This research was conducted by varying flow rate and flow time of biogas. From this experiment, it was found that the optimum adsorption conditions were flow rate of 3.5 l/min and 4 hours flow time. This condition could reach 99.95% adsorption efficiency of H2S from 5,879.50 mg/Nm3 to 0.67 mg/Nm3, and 74.96% adsorption efficiency of NH3 from 2.93 mg/Nm3 to 0.73 mg/Nm3. The concentration of CH4 increased from 63.88% to 76.24% in the biogas.

  12. Laboratory study on new particle formation from the reaction OH + SO2: influence of experimental conditions, H2O vapour, NH3 and the amine tert-butylamine on the overall process

    NASA Astrophysics Data System (ADS)

    Berndt, T.; Stratmann, F.; Sipilä, M.; Vanhanen, J.; Petäjä, T.; Mikkilä, J.; Grüner, A.; Spindler, G.; Mauldin, R. Lee, III; Curtius, J.; Kulmala, M.; Heintzenberg, J.

    2010-08-01

    Nucleation experiments starting from the reaction of OH radicals with SO2 have been performed in the IfT-LFT flow tube under atmospheric conditions at 293±0.5 K for a relative humidity of 13-61%. The presence of different additives (H2, CO, 1,3,5-trimethylbenzene) for adjusting the OH radical concentration and resulting OH levels in the range (4-300) ×105 molecule cm-3 did not influence the nucleation process itself. The number of detected particles as well as the threshold H2SO4 concentration needed for nucleation was found to be strongly dependent on the counting efficiency of the used counting devices. High-sensitivity particle counters allowed the measurement of freshly nucleated particles with diameters down to about 1.5 nm. A parameterization of the experimental data was developed using power law equations for H2SO4 and H2O vapour. The exponent for H2SO4 from different measurement series was in the range of 1.7-2.1 being in good agreement with those arising from analysis of nucleation events in the atmosphere. For increasing relative humidity, an increase of the particle number was observed. The exponent for H2O vapour was found to be 3.1 representing an upper limit. Addition of 1.2×1011 molecule cm-3 or 1.2×1012 molecule cm-3 of NH3 (range of atmospheric NH3 peak concentrations) revealed that NH3 has a measureable, promoting effect on the nucleation rate under these conditions. The promoting effect was found to be more pronounced for relatively dry conditions, i.e. a rise of the particle number by 1-2 orders of magnitude at RH = 13% and only by a factor of 2-5 at RH = 47% (NH3 addition: 1.2×1012 molecule cm-3). Using the amine tert-butylamine instead of NH3, the enhancing impact of the base for nucleation and particle growth appears to be stronger. Tert-butylamine addition of about 1010 molecule cm-3 at RH = 13% enhances particle formation by about two orders of magnitude, while for NH3 only a small or negligible effect on nucleation in this range of

  13. Simulating the phase partitioning of NH3, HNO3, and HCl with size-resolved particles over northern Colorado in winter

    NASA Astrophysics Data System (ADS)

    Kelly, James T.; Baker, Kirk R.; Nolte, Christopher G.; Napelenok, Sergey L.; Keene, William C.; Pszenny, Alexander A. P.

    2016-04-01

    Numerical modeling of inorganic aerosol processes is useful in air quality management, but comprehensive evaluation of modeled aerosol processes is rarely possible due to the lack of comprehensive datasets. During the Nitrogen, Aerosol Composition, and Halogens on a Tall Tower (NACHTT) campaign in February and March 2011, the phase partitioning of soluble trace gases with size-resolved particles and related meteorological conditions were measured continuously at a site in Colorado about 33 km north of Denver. These size-resolved measurements of particulate SO42-, NH4+, NO3-, Cl-, Na+, Ca2+, Mg2+, and K+ and inorganic gases are used here to assess the ability of a continental U.S. modeling platform to simulate the gas-particle partitioning of NH3, HNO3, and HCl at this location. Modeling is based on the Community Multiscale Air Quality (CMAQ) model with 12 km horizontal resolution. Baseline, sensitivity, and source apportionment simulations are conducted to fully characterize the model predictions. Considering the limitations in representing regional terrain features in the national 12 km modeling, predictions agree reasonably well with measured concentrations and gas-particle partitioning at this location. However, the median sum of NH4+ and NH3 is underpredicted in the baseline simulation by a factor of four suggesting a need for improved bottom-up NH3 emissions inventories in this area. The median sum of Cl- and HCl is underpredicted by a factor of 2.8, while levels of Ca2+, Mg2+, and K+ are overpredicted. Improvements in windblown and fugitive dust emissions may improve and/or better constrain these predictions. Mass size distributions for inorganic particle constituents are generally simulated well, although the modeled fine particle mode is shifted to slightly larger diameters relative to measurements. Source apportionment modeling estimates of source sector and boundary contributions to air quality at the site are provided.

  14. The effect of oxygen vacancies on the binding interactions of NH3 with rutile TiO2(110) -1×1

    SciTech Connect

    Kim, Boseong; Li, Zhenjun; Kay, Bruce D.; Dohnalek, Zdenek; Kim, Yu Kwon

    2012-11-21

    A series of NH3 temperature-programmed desorption (TPD) spectra was taken after the NH3 dose at 70 K on rutile TiO2(110)-1×1 surfaces with the oxygen vacancy (VO) concentrations of ~0% (p-TiO2) and 5% (r-TiO2), respectively, to study the effect of VO’s on the desorption energy of NH3 as a function of the coverage, θ. Our results show that at zero coverage limit, the desorption energy of NH3 on r-TiO2 is 115 kJ/mol, which is 10 kJ/mol less than that on p-TiO2. The desorption energy from the Ti4+ sites decreases with increasing θ due to the repulsive NH3 - NH3 interactions and approaches ~ 55 kJ/mol upon the saturation of Ti4+ sites (θ = 1 monolayer, ML) on both p- and r-TiO2. The absolute saturation coverage is determined to be about 10% smaller on r-TiO2 than that on p-TiO2. Further, the trailing edges of the NH3 TPD spectra on the hydroxylated TiO2(110) (h-TiO2) appear to be the same as that on r-TiO2 while those on oxidized TiO2(110) (o-TiO2) shift to higher temperatures. We present the detailed analysis of the results and reconcile the observed differences based on the repulsive adsorbate-adsorbate interactions between neighboring NH3 molecules and the surface charge associated with the presence of VO’s. Besides NH3, no other reaction products are observed in the TPD spectra.

  15. Low-temperature high-resolution absorption spectrum of 14NH3 in the ν1+ν3 band region (1.51 μm)

    NASA Astrophysics Data System (ADS)

    Földes, T.; Golebiowski, D.; Herman, M.; Softley, T. P.; Di Lonardo, G.; Fusina, L.

    2014-09-01

    Jet-cooled spectra of 14NH3 and 15NH3 in natural abundance were recorded using cavity ring-down (CRDS, 6584-6670 cm-1) and cavity enhanced absorption (CEAS, 6530-6700 cm-1) spectroscopy. Line broadening effects in the CRDS spectrum allowed lines with J″-values between 0 and 3 to be identified. Intensity ratios in 14NH3 between the jet-cooled CRDS and literature room-temperature data from Sung et al. (J. Quant. Spectrosc. Radiat. Transfer, 113 (2012), 1066) further assisted the line assignments. Ground state combination differences were extensively used to support the assignments, providing reliable values for J, K and inversion symmetry of the ground state vibrational levels. CEAS data helped in this respect for the lowest J lines, some of which are saturated in the CRDS spectrum. Further information on a/s doublets arose from the observed spectral structures. Thirty-two transitions of 14NH3 were assigned in this way and a limited but significant number (19) of changes in the assignments results, compared to Sung et al. or to Cacciani et al. (J. Quant. Spectrosc. Radiat. Transfer, 113 (2012), 1084). Sixteen known and 25 new low-J transitions were identified for 15NH3 in the CRDS spectrum but the much scarcer literature information did not allow for any more refined assignment. The present line position measurements improve on literature values published for 15NH3 and on some line positions for 14NH3.

  16. Lattice potential energy and standard molar enthalpy in the formation of 1—dodecylamine hydrobromide (1-C12H25NH3·Br)(s)

    NASA Astrophysics Data System (ADS)

    Liu, Yu-Pu; Di, You-Ying; Dan, Wen-Yan; He, Dong-Hua; Kong, Yu-Xia; Yang, Wei-Wei

    2011-02-01

    This paper reports that 1-dodecylamine hydrobromide (1-C12H25NH3·Br)(s) has been synthesized using the liquid phase reaction method. The lattice potential energy of the compound 1-C12H25NH3·Br and the ionic volume and radius of the 1-C12H25NH3+ cation are obtained from the crystallographic data and other auxiliary thermodynamic data. The constant-volume energy of combustion of 1-C12H25NH3·Br(s) is measured to be ΔcUmo(1-C12H25NH3·Br, s) = -(7369.03±3.28) kJ·mol-1 by means of an RBC-II precision rotating-bomb combustion calorimeter at T = (298.15±0.001) K. The standard molar enthalpy of combustion of the compound is derived to be ΔcHmo(1-C12H25NH3·Br, s) = -(7384.52±3.28) kJ·mol-1 from the constant-volume energy of combustion. The standard molar enthalpy of formation of the compound is calculated to be ΔfHmo(1-C12H25NH3·Br, s)=-(1317.86±3.67) kJ·mol-1 from the standard molar enthalpy of combustion of the title compound and other auxiliary thermodynamic quantities through a thermochemical cycle.

  17. What can we learn about ammonia fluxes from open-path eddy covariance measurements?

    NASA Astrophysics Data System (ADS)

    Pan, D.; Zondlo, M. A.; Benedict, K. B.; Schichtel, B. A.; Ham, J. M.; Shonkwiler, K. B.; Collett, J. L., Jr.

    2016-12-01

    Ammonia (NH3) is an important component of bio-atmospheric N cycle with implications of regional air quality, human and ecosystem health degradation, and global climate change. NH3 fluxes have high spatiotemporal variability controlled by several factors, such as atmospheric NH3 concentration, meteorological conditions, and compensation point of underlying surfaces. Quantifying NH3 fluxes is further complicated by severe measurement challenges including adsorption to instrument surfaces, low mole fractions, and gas-particle phase partitioning. To overcome these challenges, we have developed an open-path, eddy covariance NH3 instrument that minimizes these sampling issues. Eddy covariance measurements in 2015 and 2016 in the Rocky Mountain National Park (RMNP), Colorado showed the capabilities of the system to measure fluxes in clean and moderate-polluted regions. Interesting patterns of NH3 fluxes and NH3 concentration variations were observed, such as deposition of NH3 associated plumes from urban and agricultural areas and reemission of a similar magnitude when clean free-tropospheric air passing the site. Observed downward fluxes during midnight and upward fluxes in early morning also indicated NH3 fluxes related to dew formation and evaporation events. More details about these patterns and their relationships with ambient temperature, relative humidity, and other fluxes will be presented. These measurements also provided an opportunity to evaluate our current understanding of transport and deposition of NH3. Micrometeorological method, backward trajectory model, and bidirectional NH3 flux model were used to analyze observed variability of NH3 concentrations and fluxes. Implications of these results and how eddy covariance measurements combined with other measurements may provide insights to better quantify NH3 fluxes will be discussed.

  18. Growth of CH3NH3PbI3 cuboids with controlled size for high-efficiency perovskite solar cells.

    PubMed

    Im, Jeong-Hyeok; Jang, In-Hyuk; Pellet, Norman; Grätzel, Michael; Park, Nam-Gyu

    2014-11-01

    Perovskite solar cells with submicrometre-thick CH(3)NH(3)PbI(3) or CH(3)NH(3)PbI(3-x)Cl(x) active layers show a power conversion efficiency as high as 15%. However, compared to the best-performing device, the average efficiency was as low as 12%, with a large standard deviation (s.d.). Here, we report perovskite solar cells with an average efficiency exceeding 16% and best efficiency of 17%. This was enabled by the growth of CH(3)NH(3)PbI(3) cuboids with a controlled size via a two-step spin-coating procedure. Spin-coating of a solution of CH(3)NH(3)I with different concentrations follows the spin-coating of PbI(2), and the cuboid size of CH(3)NH(3)PbI(3) is found to strongly depend on the concentration of CH(3)NH(3)I. Light-harvesting efficiency and charge-carrier extraction are significantly affected by the cuboid size. Under simulated one-sun illumination, average efficiencies of 16.4% (s.d. ± 0.35), 16.3% (s.d. ± 0.44) and 13.5% (s.d. ± 0.34) are obtained from solutions of CH(3)NH(3)I with concentrations of 0.038 M, 0.050 M and 0.063 M, respectively. By controlling the size of the cuboids of CH(3)NH(3)PbI(3) during their growth, we achieved the best efficiency of 17.01% with a photocurrent density of 21.64 mA cm(-2), open-circuit photovoltage of 1.056 V and fill factor of 0.741.

  19. Highly selective NH3 gas sensor based on Au loaded ZnO nanostructures prepared using microwave-assisted method.

    PubMed

    Shingange, K; Tshabalala, Z P; Ntwaeaborwa, O M; Motaung, D E; Mhlongo, G H

    2016-10-01

    ZnO nanorods synthesized using microwave-assisted approach were functionalized with gold (Au) nanoparticles. The Au coverage on the surface of the functionalized ZnO was controlled by adjusting the concentration of the Au precursor. According to X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM) and X-ray photoelectron spectroscopy (XPS) results, it was confirmed that Au form nanoparticles loaded on the surface of ZnO. The small Au loading level of 0.5wt% showed the highest response of 1600-100ppm of NH3 gas at room temperature (RT) whereas further increase of Au loading level resulted in poor detection of NH3. All Au loaded ZnO (Au/ZnO) based sensors exhibited very short recovery and response times compared to unloaded ZnO sensing materials. The responses of ZnO and Au/ZnO based sensors (0.5-2.5wt%) to other flammable gases, including H2, CO and CH4, were considerably less, demonstrating that Au/ZnO based sensors were highly selective to NH3 gas at room temperature. Spill over mechanism which is the main reason for the observed enhanced NH3 response with 0.5 Au loading level is explained in detail.

  20. Colloidal Synthesis of CH3 NH3 PbBr3 Nanoplatelets with Polarized Emission through Self-Organization.

    PubMed

    Liu, Lige; Huang, Sheng; Pan, Longfei; Shi, Li-Jie; Zou, Bingsuo; Deng, Luogen; Zhong, Haizheng

    2017-02-06

    We report a combined experimental and theoretical study of the synthesis of CH3 NH3 PbBr3 nanoplatelets through self-organization. Shape transformation from spherical nanodots to square or rectangular nanoplatelets can be achieved by keeping the preformed colloidal nanocrystals at a high concentration (3.5 mg mL(-1) ) for 3 days, or combining the synthesis of nanodots with self-organization. The average thickness of the resulting CH3 NH3 PbBr3 nanoplatelets is similar to the size of the original nanoparticles, and we also noticed several nanoplatelets with circular or square holes, suggesting that the shape transformation experienced a self-organization process through dipole-dipole interactions along with a realignment of dipolar vectors. Additionally, the CH3 NH3 PbBr3 nanoplatelets exhibit excellent polarized emissions for stretched CH3 NH3 PbBr3 nanoplatelets embedded in a polymer composite film, showing advantageous photoluminescence properties for display backlights. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. Fe2O3 particles as superior catalysts for low temperature selective catalytic reduction of NO with NH3.

    PubMed

    Wang, Xiaobo; Gui, Keting

    2013-12-01

    Fe2O3 particle catalysts were experimentally studied in the low temperature selective catalytic reduction (SCR) of NO with NH3. The effects of reaction temperature, oxygen concentration, [NH3]/[NO] molar ratio and residence time on SCR activity were studied. It was found that Fe2O3 catalysts had high activity for the SCR of NO with NH3 in a broad temperature range of 150-270 degrees C, and more than 95% NO conversion was obtained at 180 degrees C when the molar ratio [NH3]/[NO] = 1, the residence time was 0.48 seconds and O2 volume fraction was 3%. In addition, the effect of SO2 on SCR catalytic activity was also investigated at the temperature of 180 degrees C. The results showed that deactivation of the Fe2O3 particles occurred due to the presence of SO2 and the NO conversion decreased from 99.2% to 58% in 240 min, since SO2 gradually decreased the catalytic activity of the catalysts. In addition, X-ray diffraction, Thermogravimetric analysis and Fourier transform infrared spectroscopy were used to characterize the fresh and deactivated Fe2O3 catalysts. The results showed that the deactivation caused by SO2 was due to the formation of metal sulfates and ammonium sulfates on the catalyst surface during the de-NO reaction, which could cause pore plugging and result in suppression of the catalytic activity.

  2. Acute toxicity of ammonia (NH3-N) in sewage effluent to Chironomus riparius: II. Using a generalized linear model

    USGS Publications Warehouse

    Monda, D.P.; Galat, D.L.; Finger, S.E.; Kaiser, M.S.

    1995-01-01

    Toxicity of un-ionized ammonia (NH3-N) to the midge, Chironomus riparius was compared, using laboratory culture (well) water and sewage effluent (≈0.4 mg/L NH3-N) in two 96-h, static-renewal toxicity experiments. A generalized linear model was used for data analysis. For the first and second experiments, respectively, LC50 values were 9.4 mg/L (Test 1A) and 6.6 mg/L (Test 2A) for ammonia in well water, and 7.8 mg/L (Test 1B) and 4.1 mg/L (Test 2B) for ammonia in sewage effluent. Slopes of dose-response curves for Tests 1A and 2A were equal, but mortality occurred at lower NH3-N concentrations in Test 2A (unequal intercepts). Response ofC. riparius to NH3 in effluent was not consistent; dose-response curves for tests 1B and 2B differed in slope and intercept. Nevertheless, C. riparius was more sensitive to ammonia in effluent than in well water in both experiments, indicating a synergistic effect of ammonia in sewage effluent. These results demonstrate the advantages of analyzing the organisms entire range of response, as opposed to generating LC50 values, which represent only one point on the dose-response curve.

  3. Polymeric cobalt(ii) thiolato complexes - syntheses, structures and properties of [Co(SMes)2] and [Co(SPh)2NH3].

    PubMed

    Eichhöfer, Andreas; Buth, Gernot

    2016-11-01

    Reactions of [Co(N(SiMe3)2)2thf] with 2.1 equiv. of MesSH (Mes = C6H2-2,4,6-(CH3)3) yield dark brown crystals of the one dimensional chain compound [Co(SMes)2]. In contrast reactions of [Co(N(SiMe3)2)2thf] with 2.1 equiv. of PhSH result in the formation of a dark brown almost X-ray amorphous powder of 'Co(SPh)2'. Addition of aliquots of CH3OH to the latter reaction resulted in the almost quantitative formation of crystalline ammonia thiolato complexes either [Co(SPh)2(NH3)2] or [Co(SPh)2NH3]. Single crystal XRD reveals that [Co(SPh)2NH3] forms one-dimensional chains in the crystal via μ2-SPh bridges whereas [Co(SPh)2(NH3)2] consists at a first glance of isolated distorted tetrahedral units. Magnetic measurements suggest strong antiferromagnetic coupling for the two chain compounds [Co(SMes)2] (J = -38.6 cm(-1)) and [Co(SPh)2NH3] (J = -27.1 cm(-1)). Interestingly, also the temperature dependence of the susceptibility of tetrahedral [Co(SPh)2(NH3)2] shows an antiferromagnetic transition at around 6 K. UV-Vis-NIR spectra display d-d bands in the NIR region between 500 and 2250 nm. Thermal gravimetric analysis of [Co(SPh)2(NH3)2] and [Co(SPh)2NH3] reveals two well separated cleavage processes for NH3 and SPh2 upon heating accompanied by the stepwise formation of 'Co(SPh)2' and cobalt sulfide.

  4. Paper based platform for colorimetric sensing of dissolved NH3 and CO2.

    PubMed

    Chen, Yu; Zilberman, Yael; Mostafalu, Pooria; Sonkusale, Sameer R

    2015-05-15

    Paper, a cheap and ubiquitous material, has great potential to be used as low-cost, portable and biodegradable platform for chemical and biological sensing application. In this paper, we are exploring a low-cost, flexible and reliable method to effectively pattern paper for capturing optical dyes and for flow-based delivery of target samples for colorimetric chemical sensing. In this paper, we target the detection of ammonia (NH3) and carbon dioxide (CO2), two of the important environmental and health biomarkers. By functionalizing the paper platform with diverse cross-reactive dyes sensitive to NH3 and CO2, their selective sensing within a certain pH range, as well as their detection at different concentrations can be achieved. The images of paper based device were captured by a flatbed scanner and processed in MATLAB(®) using a RGB model and PCA for quantitative analysis. Paper based devices with readout using ubiquitous consumer electronic devices (e.g. smartphones, flatbed scanner) are considered promising approaches for disease screening in developing countries with limited resources.

  5. Modifying CH3NH3PbBr3 nanocrystals with arylamines

    NASA Astrophysics Data System (ADS)

    Zhu, Ruimin; Liu, Heyuan; Shen, Li; Sun, Dejun; Li, Xiyou

    2017-04-01

    Chemically decorating CH3NH3PbBr3 with a group of para-substituted arylamine (R-An) was investigated, where R ranges from electron-withdrawing trifluoromethoxy(-CF3O), to hydrogen or electron-donating ethoxy (-EtO). Different ratios of R-An ammonium bromide and methylammonium bromide (MA) (R-An/MA=3/7, 4/6, 5/5, 6/4 and 7/3) were tested. XRD patterns revealed that the perovskite nanocomposite were cubic with good crystallinity. TEM and photoluminescence suggested that the perovskite nanocrystals were composed of 2D layered and 3D bulk structures. 1H NMR and TGA experiments revealed that the non-substituted aniline can readily adsorb to the surface of perovskite at any ratios between R-An and MA. But an EtOAn/MA ratio ≥1 is needed to anchor the EOAn molecules on the surface of perovskite. For the arylamine with the electron-withdrawing -CF3O group, it cannot adsorb to the surface of the perovskite at any concentrations. This result reveals that both steric hindrance and alkalinity can affect the anchoring of arylamine on the surface of CH3NH3PbBr3 perovskite. I-V curves of the perovskite nanocrystal films prepared by spin coating suggest that proper surface modification can increase the conductivity significantly.

  6. Relativistic GW calculations on CH3NH3PbI3 and CH3NH3SnI3 Perovskites for Solar Cell Applications

    PubMed Central

    Umari, Paolo; Mosconi, Edoardo; De Angelis, Filippo

    2014-01-01

    Hybrid AMX3 perovskites (A = Cs, CH3NH3; M = Sn, Pb; X = halide) have revolutionized the scenario of emerging photovoltaic technologies, with very recent results demonstrating 15% efficient solar cells. The CH3NH3PbI3/MAPb(I1−xClx)3 perovskites have dominated the field, while the similar CH3NH3SnI3 has not been exploited for photovoltaic applications. Replacement of Pb by Sn would facilitate the large uptake of perovskite-based photovoltaics. Despite the extremely fast progress, the materials electronic properties which are key to the photovoltaic performance are relatively little understood. Density Functional Theory electronic structure methods have so far delivered an unbalanced description of Pb- and Sn-based perovskites. Here we develop an effective GW method incorporating spin-orbit coupling which allows us to accurately model the electronic, optical and transport properties of CH3NH3SnI3 and CH3NH3PbI3, opening the way to new materials design. The different CH3NH3SnI3 and CH3NH3PbI3 electronic properties are discussed in light of their exploitation for solar cells, and found to be dominantly due to relativistic effects. These effects stabilize the CH3NH3PbI3 material towards oxidation, by inducing a deeper valence band edge. Relativistic effects, however, also increase the material band-gap compared to CH3NH3SnI3, due to the valence band energy downshift (~0.7 eV) being only partly compensated by the conduction band downshift (~0.2 eV). PMID:24667758

  7. Relativistic GW calculations on CH3NH3PbI3 and CH3NH3SnI3 Perovskites for Solar Cell Applications

    NASA Astrophysics Data System (ADS)

    Umari, Paolo; Mosconi, Edoardo; de Angelis, Filippo

    2014-03-01

    Hybrid AMX3 perovskites (A = Cs, CH3NH3; M = Sn, Pb; X = halide) have revolutionized the scenario of emerging photovoltaic technologies, with very recent results demonstrating 15% efficient solar cells. The CH3NH3PbI3/MAPb(I1-xClx)3 perovskites have dominated the field, while the similar CH3NH3SnI3 has not been exploited for photovoltaic applications. Replacement of Pb by Sn would facilitate the large uptake of perovskite-based photovoltaics. Despite the extremely fast progress, the materials electronic properties which are key to the photovoltaic performance are relatively little understood. Density Functional Theory electronic structure methods have so far delivered an unbalanced description of Pb- and Sn-based perovskites. Here we develop an effective GW method incorporating spin-orbit coupling which allows us to accurately model the electronic, optical and transport properties of CH3NH3SnI3 and CH3NH3PbI3, opening the way to new materials design. The different CH3NH3SnI3 and CH3NH3PbI3 electronic properties are discussed in light of their exploitation for solar cells, and found to be dominantly due to relativistic effects. These effects stabilize the CH3NH3PbI3 material towards oxidation, by inducing a deeper valence band edge. Relativistic effects, however, also increase the material band-gap compared to CH3NH3SnI3, due to the valence band energy downshift (~0.7 eV) being only partly compensated by the conduction band downshift (~0.2 eV).

  8. Relativistic GW calculations on CH3NH3PbI3 and CH3NH3SnI3 perovskites for solar cell applications.

    PubMed

    Umari, Paolo; Mosconi, Edoardo; De Angelis, Filippo

    2014-03-26

    Hybrid AMX3 perovskites (A = Cs, CH3NH3; M = Sn, Pb; X = halide) have revolutionized the scenario of emerging photovoltaic technologies, with very recent results demonstrating 15% efficient solar cells. The CH3NH3PbI3/MAPb(I(1-x)Cl(x))3 perovskites have dominated the field, while the similar CH3NH3SnI3 has not been exploited for photovoltaic applications. Replacement of Pb by Sn would facilitate the large uptake of perovskite-based photovoltaics. Despite the extremely fast progress, the materials electronic properties which are key to the photovoltaic performance are relatively little understood. Density Functional Theory electronic structure methods have so far delivered an unbalanced description of Pb- and Sn-based perovskites. Here we develop an effective GW method incorporating spin-orbit coupling which allows us to accurately model the electronic, optical and transport properties of CH3NH3SnI3 and CH3NH3PbI3, opening the way to new materials design. The different CH3NH3SnI3 and CH3NH3PbI3 electronic properties are discussed in light of their exploitation for solar cells, and found to be dominantly due to relativistic effects. These effects stabilize the CH3NH3PbI3 material towards oxidation, by inducing a deeper valence band edge. Relativistic effects, however, also increase the material band-gap compared to CH3NH3SnI3, due to the valence band energy downshift (~0.7 eV) being only partly compensated by the conduction band downshift (~0.2 eV).

  9. Validation of the CrIS fast physical NH3 retrieval with ground-based FTIR

    NASA Astrophysics Data System (ADS)

    Dammers, Enrico; Shephard, Mark W.; Palm, Mathias; Cady-Pereira, Karen; Capps, Shannon; Lutsch, Erik; Strong, Kim; Hannigan, James W.; Ortega, Ivan; Toon, Geoffrey C.; Stremme, Wolfgang; Grutter, Michel; Jones, Nicholas; Smale, Dan; Siemons, Jacob; Hrpcek, Kevin; Tremblay, Denis; Schaap, Martijn; Notholt, Justus; Erisman, Jan Willem

    2017-07-01

    Presented here is the validation of the CrIS (Cross-track Infrared Sounder) fast physical NH3 retrieval (CFPR) column and profile measurements using ground-based Fourier transform infrared (FTIR) observations. We use the total columns and profiles from seven FTIR sites in the Network for the Detection of Atmospheric Composition Change (NDACC) to validate the satellite data products. The overall FTIR and CrIS total columns have a positive correlation of r = 0.77 (N = 218) with very little bias (a slope of 1.02). Binning the comparisons by total column amounts, for concentrations larger than 1.0 × 1016 molecules cm-2, i.e. ranging from moderate to polluted conditions, the relative difference is on average ˜ 0-5 % with a standard deviation of 25-50 %, which is comparable to the estimated retrieval uncertainties in both CrIS and the FTIR. For the smallest total column range (< 1.0 × 1016 molecules cm-2) where there are a large number of observations at or near the CrIS noise level (detection limit) the absolute differences between CrIS and the FTIR total columns show a slight positive column bias. The CrIS and FTIR profile comparison differences are mostly within the range of the single-level retrieved profile values from estimated retrieval uncertainties, showing average differences in the range of ˜ 20 to 40 %. The CrIS retrievals typically show good vertical sensitivity down into the boundary layer which typically peaks at ˜ 850 hPa (˜ 1.5 km). At this level the median absolute difference is 0.87 (std = ±0.08) ppb, corresponding to a median relative difference of 39 % (std = ±2 %). Most of the absolute and relative profile comparison differences are in the range of the estimated retrieval uncertainties. At the surface, where CrIS typically has lower sensitivity, it tends to overestimate in low-concentration conditions and underestimate in higher atmospheric concentration conditions.

  10. Comparison of 18F-Labeled Fluoroalkylphosphonium Cations with 13N-NH3 for PET Myocardial Perfusion Imaging.

    PubMed

    Kim, Dong-Yeon; Kim, Hyeon Sik; Reder, Sybille; Zheng, Jin Hai; Herz, Michael; Higuchi, Takahiro; Pyo, A Young; Bom, Hee-Seung; Schwaiger, Markus; Min, Jung-Joon

    2015-10-01

    Despite substantial advances in the diagnosis of cardiovascular disease, there is a need for 18F-labeled myocardial perfusion agents for the diagnosis of ischemic heart disease because current PET tracers for myocardial perfusion imaging have a short half-life that limits their widespread clinical use in PET. Thus, 18F-labeled fluoroalkylphosphonium derivatives (18F-FATPs), including (5-18F-fluoropentyl)triphenylphosphonium cation (18F-FPTP), (6-18F-fluorohexyl)triphenylphosphonium cation (18F-FHTP), and (2-(2-18F-fluoroethoxy)ethyl)triphenylphosphonium cation (18F-FETP), were synthesized. The myocardial extraction and image quality of the 18F-FATPs were compared with those of 13N-NH3 in rat models. The first-pass extraction fraction (EF) values of the 18F-FATPs (18F-FPTP, 18F-FHTP, 18F-FETP) and 13N-NH3 were measured in isolated rat hearts perfused with the Langendorff method (flow velocities, 0.5, 4.0, 8.0, and 16.0 mL/min). Normal and myocardial infarction rats were imaged with small-animal PET after intravenous injection of 37 MBq of 18F-FATPs and 13N-NH3. To determine pharmacokinetics, a region of interest was drawn around the heart, and time-activity curves of the 18F-FATPs and 13N-NH3 were generated to obtain the counts per pixel per second. Defect size was analyzed on the basis of polar map images of 18F-FATPs and 13N-NH3. The EF values of 18F-FATPs and 13N-NH3 were comparable at low flow velocity (0.5 mL/min), whereas at higher flows EF values of 18F-FATPs were significantly higher than those of 13N-NH3 (4.0, 8.0, and 16.0 mL/min, P<0.05). Myocardium-to-liver ratios of 18F-FPTP, 18F-FHTP, 18F-FETP, and 13N-NH3 were 2.10±0.30, 4.36±0.20, 3.88±1.03, and 0.70±0.09, respectively, 10 min after injection, whereas myocardium-to-lung ratios were 5.00±0.25, 4.33±0.20, 7.98±1.23, and 2.26±0.14, respectively. Although 18F-FATPs and 13N-NH3 sharply delineated myocardial perfusion defects, defect size on the 13N-NH3 images was significantly smaller than on the

  11. Biochar applied at an appropriate rate can avoid increasing NH3 volatilization dramatically in rice paddy soil.

    PubMed

    Feng, Yanfang; Sun, Haijun; Xue, Lihong; Liu, Yang; Gao, Qian; Lu, Kouping; Yang, Linzhang

    2017-02-01

    Biochar application can increase carbon sequestration and reduce greenhouse gases emissions in paddy soils. However, its influence on ammonia (NH3) volatilization is neglected. This soil column study was conducted using two biochars (wheat straw pyrolyzed at 500 °C and 700 °C) with two application rates (0.5 wt% and 3 wt%) to evaluate their impact on NH3 volatilization from rice paddy. Results showed that biochar application did not change NH3 volatilization fluxes pattern after N fertilization. Four biochar treatments recorded higher NH3 volatilization (20.50-31.88 kg N ha(-1)) compared with the control (18.65 kg N ha(-1)). Especially, two 3 wt% biochar treatments had significantly 40.8-70.9% higher NH3 volatilization than control. After the basal and first supplementary fertilization, the floodwater pH values were 7.61-7.79 and 7.51-7.76 under biochar treatments, higher than control (7.37 and 7.16, respectively). Meanwhile, after three split N fertilizations, the pH of surface soil received biochar increased by 0.19-0.45, 0.19-0.39, and 0.01-0.21 units, in comparison with the control soil. Furthermore, 3 wt% biochar treatments had higher floodwater and surface soil pH values than 0.5 wt% biochar treatments. Higher NH4(+)-N and lower NO3(-)-N concentrations of surface soil under biochar application were observed compared with control at tillering stage, whereas they were at similar level at jointing stage. The increased NH3 volatilization at 3 wt% biochar treatments is attributed to increased pH of surface floodwater and soil, and reduced nitrification processes induced by biochar application. Biochar should be applied at lower rate to rice paddy soil, considering the NH3 volatilization. Copyright © 2016 Elsevier Ltd. All rights reserved.

  12. Light stability tests of CH3NH3PbI3 perovskite solar cells using porous carbon counter electrodes.

    PubMed

    Ito, Seigo; Mizuta, Gai; Kanaya, Shusaku; Kanda, Hiroyuki; Nishina, Tomoya; Nakashima, Seiji; Fujisawa, Hironori; Shimizu, Masaru; Haruyama, Yuichi; Nishino, Hitoshi

    2016-10-21

    The CH3NH3PbI3 perovskite solar cells have been fabricated using three-porous-layered electrodes as, 〈glass/F-doped tin oxide (FTO)/dense TiO2/porous TiO2-perovskite/porous ZrO2-perovskite/porous carbon-perovskite〉 for light stability tests. Without encapsulation in air, the CH3NH3PbI3 perovskite solar cells maintained 80% of photoenergy conversion efficiency from the initial value up to 100 h under light irradiation (AM 1.5, 100 mW cm(-2)). Considering the color variation of the CH3NH3PbI3 perovskite layer, the significant improvement of light stability is due to the moisture-blocking effect of the porous carbon back electrodes. The strong interaction between carbon and CH3NH3PbI3 perovskite was proposed by the measurements of X-ray photoelectron spectroscopy and X-ray diffraction of the porous carbon-perovskite layers.

  13. Kinetics of the NH3 and CO2 solid-state reaction at low temperature.

    PubMed

    Noble, J A; Theule, P; Duvernay, F; Danger, G; Chiavassa, T; Ghesquiere, P; Mineva, T; Talbi, D

    2014-11-21

    Ammonia and carbon dioxide play an important role in both atmospheric and interstellar ice chemistries. This work presents a theoretical and experimental study of the kinetics of the low-temperature NH3 and CO2 solid-state reaction in ice films, the product of which is ammonium carbamate (NH4(+)NH2COO(-)). It is a first-order reaction with respect to CO2, with a temperature-dependent rate constant fitted to the Arrhenius law in the temperature range 70 K to 90 K, with an activation energy of 5.1 ± 1.6 kJ mol(-1) and a pre-exponential factor of 0.09-0.08(+1.1) s(-1). This work helps to determine the rate of removal of CO2 and NH3, via their conversion into ammonium carbamate, from atmospheric and interstellar ices. We also measure first-order desorption energies of 69.0 ± 0.2 kJ mol(-1) and 76.1 ± 0.1 kJ mol(-1), assuming a pre-exponential factor of 10(13) s(-1), for ammonium carbamate and carbamic acid, respectively.

  14. Re-analysis of ammonia spectra: Updating the HITRAN 14NH3 database

    NASA Astrophysics Data System (ADS)

    Down, Michael J.; Hill, Christian; Yurchenko, Sergei N.; Tennyson, Jonathan; Brown, Linda R.; Kleiner, Isabelle

    2013-11-01

    The data incorporated in the HITRAN database for 14NH3 are analyzed using a comprehensive and consistent set of quantum numbers, empirical lower energy levels and the BYTe variationally calculated line list as reference points. Labelings are checked to ensure that they obey both the usual selection rules and the HITRAN labeling formalisms; the problems identified are corrected where possible. Further assignments are brought into question by combination difference (CD) checking of implied upper energy levels. The CD analysis yields an 89% complete 14NH3 energy level list up to 6610 cm-1 and J=21, self-consistent to 0.1 cm-1. In combination with the 1723 previously unassigned and unlabeled lines in HITRAN a total of 2529 problem lines were identified for re-analysis. The compiled energy level list was used to label and assign the set of problem transitions, resulting in a total of 249 new assignments and a further 368 new labelings. Assignment by comparison with the reference line list resulted in 111 further new line assignments and 14 new labelings. Intensities are checked against recent measurements and BYTe. New intensities are proposed for the ν2 band with new intensities and line positions for the 2ν2-ν2 and new line lists are created for the ν2-ν2, ν2-ν4 and ν4-ν4 bands. BYTe band intensities are analyzed to identify other regions of missing intensity.

  15. The ν 1 and ν 3 band system of 15NH3

    NASA Astrophysics Data System (ADS)

    Fusina, Luciano; Nivellini, Giandomenico; Spezzano, Silvia

    2011-09-01

    The infrared spectrum of 15NH3 has been investigated by high-resolution Fourier transform infrared spectroscopy in the region of the stretching fundamentals. A large number of ro-vibration transitions in the 3050-3650 cm-1 spectral range has been recorded and assigned to the fundamentals ν 1 and ν 3, and to the 2ν 4 overtone bands. In total, 1606 transitions involving the (s) and (a) inversion-rotation-vibration levels have been identified and assigned. They include 256 perturbation-allowed transitions with selection rules ΔK = ±2, Δl = -1 in ν 3 and Δl = +2 in ? , and ΔK = ±3, Δl = 0 in ν 1 and ? . All assigned transitions were fitted simultaneously to a model Hamiltonian that includes all symmetry-allowed interactions between and within the excited state levels in order to obtain accurate sets of spectroscopic parameters for both inversion states. The standard deviation of the fit, 0.034 cm-1, is about 70 times larger than the estimated measurement precision. This result is similar to that reported for the same band system in 14NH3 by Kleiner et al. [J. Mol. Spectrosc. 193, 46 (1999)] and is a consequence of the neglect of vibration and ro-vibration interactions between the analysed states and vibrationally excited states with close energies.

  16. Ammonia volatilization from artificial dung and urine patches measured by the equilibrium concentration technique (JTI method)

    NASA Astrophysics Data System (ADS)

    Saarijärvi, K.; Mattila, P. K.; Virkajärvi, P.

    The aim of this study was to investigate the dynamics of ammonia (NH 3) volatilization from intensively managed pastures on a soil type typical of the dairy production area in Finland and to clarify the effect of rainfall on NH 3 volatilization. The study included two experiments. In Experiment 1 the total amount of NH 3-N emitted was calculated based on the annual surface coverage of dung (4%) and urine (17%). The application rate of total N in the simulated dung and urine patches was approximately 47 g N m -2 and 113 g N m -2, respectively. In Experiment 1 the general level of NH 3 emissions from the urine patches was high and the peak volatilization rate was 0.54 g NH 3-N m -2 h -1. As expected, emissions from the dung pats were clearly lower with a maximum rate of 0.10 g NH 3-N m -2 h -1. The total emission calculated for the whole pasture area (stocking rate four cows ha -1 y -1, urine coverage 17% and dung coverage 4%) was 16.1 kg NH 3-N ha -1. Approximately 96% of the total emission originated from urine. In Experiment 2 we measured the emissions from urine only and the treatments on the urine patches were: (1) no irrigation, (2) 5+5 mm and (3) 20 mm irrigation. The peak emission rates were 0.13, 0.09 and 0.04 g NH 3-N m -2 h -1 and the total emissions were 6.9, 3.0 and 1.7 kg NH 3-N ha -1, for treatments (1), (2) and (3), respectively. In both measurements over 80% of the total emission occurred during the first 48 h and there was a clear diurnal rhythm. Increasing rainfall markedly decreased NH 3 emission. Volatilization was highest with dry and warm soil. The JTI method appeared to be suitable for measuring NH 3 volatilization in this kind of experiment. According to our results, the importance of pastures as a source of NH 3 emission in Finland is minor.

  17. Vibrations and reorientations of NH3 molecules in [Mn(NH3)6](ClO4)2 studied by infrared spectroscopy and theoretical (DFT) calculations.

    PubMed

    Hetmańczyk, Joanna; Hetmańczyk, Łukasz; Migdał-Mikuli, Anna; Mikuli, Edward

    2015-02-05

    The vibrational and reorientational motions of NH3 ligands and ClO4(-) anions were investigated by Fourier transform middle-infrared spectroscopy (FT-IR) in the high- and low-temperature phases of [Mn(NH3)6](ClO4)2. The temperature dependencies of full width at half maximum (FWHM) of the infrared bands at: 591 and 3385cm(-1), associated with: ρr(NH3) and νas(N-H) modes, respectively, indicate that there exist fast (correlation times τR≈10(-12)-10(-13)s) reorientational motions of NH3 ligands, with a mean values of activation energies: 7.8 and 4.5kJmol(-1), in the phase I and II, respectively. These reorientational motions of NH3 ligands are only slightly disturbed in the phase transition region and do not significantly contribute to the phase transition mechanism. Fourier transform far-infrared and middle-infrared spectra with decreasing of temperature indicated characteristic changes at the vicinity of PT at TC(c)=137.6K (on cooling), which suggested lowering of the crystal structure symmetry. Infrared spectra of [Mn(NH3)6](ClO4)2 were recorded and interpreted by comparison with respective theoretical spectra calculated using DFT method (B3LYP functional, LANL2DZ ECP basis set (on Mn atom) and 6-311+G(d,p) basis set (on H, N, Cl, O atoms) for the isolated equilibrium two models (Model 1 - separate isolated [Mn(NH3)6](2+) cation and ClO4(-) anion and Model 2 - [Mn(NH3)6(ClO4)2] complex system). Calculated optical spectra show a good agreement with the experimental infrared spectra (FT-FIR and FT-MIR) for the both models. Copyright © 2014 Elsevier B.V. All rights reserved.

  18. Development and uncertainty analysis of a high-resolution NH3 emissions inventory and its implications with precipitation over the Pearl River Delta region, China

    NASA Astrophysics Data System (ADS)

    Zheng, J. Y.; Yin, S. S.; Kang, D. W.; Che, W. W.; Zhong, L. J.

    2012-08-01

    Detailed NH3 emission inventories are important to understand various atmospheric processes, air quality modeling studies, air pollution management, and related environmental and ecological issues. A high-resolution NH3 emission inventory was developed based on state-of-the-science techniques, up-to-date information, and advanced expert knowledge for the Pearl River Delta region, China. To provide model-ready emissions input, this NH3 emissions inventory was spatially allocated to 3 km × 3 km grid cells using source-based spatial surrogates with geographical information system (GIS) technology. For NH3 emissions, 9 source categories and 45 subcategories were identified in this region, and detailed spatial and temporal characteristics were investigated. Results show that livestock is by far the most important NH3 emission source by contributing about 61.7% of the total NH3 emissions in this region, followed by nitrogen fertilizer applications (~23.7%) and non-agricultural sources (~14.6%). Uncertainty analysis reveals that the uncertainties associated with different sources vary from source to source and the magnitude of the uncertainty associated with a specific source mainly depends on the degree of accuracy of the emission factors and activity data as well as the technique used to perform the estimate. Further studies should give priority to the hog, broiler, goose subsectors of the livestock source and N fertilizer application source in order to reduce uncertainties of ammonia emission estimates in this region. The validity of the NH3 emissions inventory is justified by the trend analysis of local precipitation compositions, such as pH values, the Ca2++NH4+/SO42-+ NO3- ratios, and NH4+ concentrations which are directly or indirectly related to NH3 emissions.

  19. Ammonia concentrations and modeling of inorganic particulate matter in the vicinity of an egg production facility in Southeastern USA.

    PubMed

    Li, Qian-Feng; Wang-Li, Lingjuan; Shah, Sanjay B; Jayanty, R K M; Bloomfield, Peter

    2014-03-01

    Ammonia (NH3) is an important base gas and can react with acidic species to form atmospheric aerosols. Due to the rapid growth of poultry and swine production in the North Carolina Coastal Plain, atmospheric NH3 concentrations across the region have subsequently increased. Ammonia concentrations and inorganic particulate matter (PM) at four ambient stations in the vicinity of an egg production facility were measured for 1 year using PM2.5 speciation samplers with honeycomb denuders and ion chromatography (IC). Meanwhile, concentrations of NH3 and inorganic PM in one of the egg production houses were also simultaneously measured using a gas analyzer for NH3 and the filter pack plus IC method for inorganic PM. An equilibrium model-ISORROPIA II was applied to predict the behavior of inorganic aerosols in response to precursor gas concentrations and environmental parameters. Average ambient NH3 concentrations varied from 10.0 to 27.0 μg/m(3), and they were negatively correlated with the distances from the ambient location to the nearest egg production house exhausts. Ambient NH3 concentrations were higher in warm seasons than in cold seasons. Measured NH3 concentrations agreed well with ISORROPIA II model predictions at all sampling stations. For the ambient stations, there was a good agreement in particle phase NH4 (+) between the model simulation and observations. For the in-house station, the model simulation was applied to correct the overestimation of particle phase NH4 (+) due to gas phase NH3 breaking through the denuders. Changes in SO4 (2-), NO3 (-), and Cl(-) yield proportional changes in inorganic PM mass. Due to the abundance of NH3 gas in the vicinity area of the monitored farm, changes in NH3 concentrations had a small effect on inorganic PM mass. Aerosol equilibrium modeling may be used to assess the influence of precursor gas concentrations on inorganic PM formation when the measurements for some species are unavailable.

  20. The design and technology development for A 150 mlb resistojet for H2 or NH3

    NASA Technical Reports Server (NTRS)

    Page, R. J.; Stoner, W. A.

    1982-01-01

    A 150 mlb thrust level hybrid resistojet which may operate on either H2 or NH3 is described whose design technique allows temperature distribution forecasting by means of a microcomputer-implemented mathematical model. The longer computer run times that accompany the exclusive use of BASIC, relative to assembled languages, are offset by the flexibility offered and the reduction of reprogramming and debugging efforts. The integration of a compact first-stage coiled heater with a concentric tubular gas heater offers direct matching of the 28 V terminal of the spacecraft system, while keeping maximum heater wall temperatures to less than 60 K over that of the gas temperature at the throat. Among the novel materials employed are grain-stabilized rhenium for heating elements and high purity aluminas for insulators.

  1. [Ammonia gas concentration and velocity measurement using tunable diode laser absorption spectroscopy and optical signal cross-correlation method].

    PubMed

    Zhang, Chun-Xiao; Wang, Fei; Li, Ning; Yan, Jian-Hua; Chi, Yong; Cen, Ke-Fa

    2009-10-01

    Simultaneous online measurement of gas concentration and velocity can be realized by tunable diode laser absorption spectroscopy (TDLAS) technique and optical signal cross-correlation method. The fundamental and relative factors of gas concentration and velocity measurement are described in the present paper. The spectral lines of NH3 used for gas sensing at communication band in near infrared range were selected and analyzed by the calculation based on the HITRAN database. In the verification experiment, NH3 and N2 were mixed by two mass flow meters and sent to flow through the quartz tube 0. 016 m in inner diameter and 1 m in length at normal temperature and pressure. The spectral line located at 6,548.7 cm(-1) was scanned at high frequency by the diode laser of 15 MHz linewidth and 1 cm' tunable range with no mode hoppings. The instantaneous NH3 absorbance was obtained using direct absorption method and the gas concentration was calculated. At the same time, the non-intrusive optical absorption signal cross-correlation method was utilized to obtain two concentration signals from two adjacent detectors mounted along the gas tube. The corresponding transit time of gas passing through the detectors was calculated by cross-correlation algorithm, and the average gas velocity was inferred according to the distance between the two detectors and the transit time. The relative errors were less than 7% for the gas concentration measurement, and less than 10% for the gas velocity measurement. Experimental results were proved to be of high precision and good repeatability in the lab. The feature of fast response and capacity immune to the in situ disturbance would lead to a potential in industry application for the real time measurement and control of gas pollutant emission in the future.

  2. Non-Controlled Biogenic Emission of CO, H2S, NH3 and Hg0 from Lazareto's Landfill, Tenerife, Canary Islands

    NASA Astrophysics Data System (ADS)

    Nolasco, D.; Lima, R.; Salazar, J.; Hernández, P. A.; Pérez, N. M.

    2002-12-01

    Landfills are important sources of contaminant gases to the surrounding environment and a significant amount of them could be released to the atmosphere through the surface environment in a diffuse form, also known as non-controlled emission of landfill gases. CH4 and CO2 are major components in landfill gases and other gas species are only present in minor amounts. Trace compounds include both inorganic and a large number of volatile organic components. The goal of this study is to evaluate the non-controlled biogenic emission of inorganic toxic gases from Lazareto's landfill. Which is located in the city of Santa Cruz de Tenerife, with a population of about 150,000, and is used as a Palm tree park. Lazareto's landfill has an extension of 0.22 Km2 and it is not operative since 1980. A non-controlled biogenic gas emission survey of 281 sampling sites was carried out from February tod March, 2002. Surface CO2 efflux measurements were performed by means of a portable NDIR sensor according with the accumulation chamber method. Surface CO2 efflux ranged from negligible values up to 30,600 gm-2d-1. At each sampling site, surface landfill gas samples were collected at 40 cm depth using a metallic soil probe. These gas samples were analyzed within 24 hours for major and inorganic toxic gas species by means of microGC and specific electrochemical sensors. The highest concentrations of CO, H2S, NH3 and Hg0 were 3, 20, 2,227, 0.010 ppmV, respectively. Non-controlled biogenic emission rate of CO, H2S, NH3, and Hg0 were estimated by multiplying the observed surface CO2 efflux times (Inorganic Toxic Gas)i/CO2 weight ratio at each sampling site, respectively. The highest surface inorganic toxic gas efllux rates were 699 gm-2d-1 for NH3, 81, 431 and 4 mgm-2d-1 for CO, H2S and Hg0, respectively. Taking into consideration the spatial distribution of the inorganic toxic gas efflux values as well as the extension of the landfill, the non-controlled biogenic emission of CO, H2S, NH3

  3. Deposition of silicon nitride from SiCl4 and NH3 in a low pressure RF plasma

    NASA Technical Reports Server (NTRS)

    Ron, Y.; Raveh, A.; Carmi, U.; Inspektor, A.; Avni, R.

    1983-01-01

    Silicon nitride coatings were deposited in a low-pressure (1-10 Torr) RF plasma from SiCl4 and NH3 in the presence of argon onto stainless martensitic steel grounded and floating substrates at 300 C and 440 C respectively. The heating of the substrates depends mainly on the position and the induced RF power. The coatings were identified as silicon nitride by X-ray investigation and were found to contain chlorine by energy-dispersive analysis of X-rays. The growth rate, the microhardness and the chlorine concentration of the coatings were determined as a function of the total gas pressure, the RF power input and the NH3-to-SiCl4 ratio. It was observed that the coatings on the floating substrates have higher deposition rates and are of superior quality.

  4. CH3NH3PbCl3 Single Crystals: Inverse Temperature Crystallization and Visible-Blind UV-Photodetector.

    PubMed

    Maculan, Giacomo; Sheikh, Arif D; Abdelhady, Ahmed L; Saidaminov, Makhsud I; Haque, Md Azimul; Murali, Banavoth; Alarousu, Erkki; Mohammed, Omar F; Wu, Tom; Bakr, Osman M

    2015-10-01

    Single crystals of hybrid perovskites have shown remarkably improved physical properties compared to their polycrystalline film counterparts, underscoring their importance in the further development of advanced semiconductor devices. Here we present a new method of growing sizable CH3NH3PbCl3 single crystals based on the retrograde solubility behavior of hybrid perovskites. We show, for the first time, the energy band structure, charge recombination, and transport properties of CH3NH3PbCl3 single crystals. These crystals exhibit trap-state density, charge carrier concentration, mobility, and diffusion length comparable with the best quality crystals of methylammonium lead iodide or bromide perovskites reported so far. The high quality of the crystal along with its suitable optical band gap enabled us to build an efficient visible-blind UV-photodetector, demonstrating its potential in optoelectronic applications.

  5. Performance of selective catalytic reduction of NO with NH3 over natural manganese ore catalysts at low temperature.

    PubMed

    Wang, Tao; Zhu, Chengzhu; Liu, Haibo; Xu, Yongpeng; Zou, Xuehua; Xu, Bin; Chen, Tianhu

    2017-03-16

    Natural manganese ore catalysts for selective catalytic reduction (SCR) of NO with NH3 at low temperature in the presence and absence of SO2 and H2O were systematically investigated. The physical and chemical properties of catalysts were characterized by X-ray diffraction, Brunauer-Emmett-Teller (BET) specific surface area, NH3 temperature-programmed desorption (NH3-TPD) and NO-TPD methods. The results showed that natural manganese ore from Qingyang of Anhui Province had a good low-temperature activity and N2 selectivity, and it could be a novel catalyst in terms of stability, good efficiency, good reusability and lower cost. The NO conversion exceeded 85% between 150°C and 300°C when the initial NO concentration was 1000 ppm. The activity was suppressed by adding H2O (10%) or SO2 (100 or 200 ppm), respectively, and its activity could recover while the SO2 supply is cut off. The simultaneous addition of H2O and SO2 led to the increase of about 100% in SCR activity than bare addition of SO2. The formation of the amorphous MnOx, high concentration of lattice oxygen and surface-adsorbed oxygen groups and a lot of reducible species as well as adsorption of the reactants brought about excellent SCR performance and exhibited good SO2 and H2O resistance.

  6. Evidence that Fungal MEP Proteins Mediate Diffusion of the Uncharged Species NH3 across the Cytoplasmic Membrane

    PubMed Central

    Soupene, Eric; Ramirez, Robert M.; Kustu, Sydney

    2001-01-01

    Methylammonium and ammonium (MEP) permeases of Saccharomyces cerevisiae belong to a ubiquitous family of cytoplasmic membrane proteins that transport only ammonium (NH4+ + NH3). Transport and accumulation of the ammonium analog [14C]methylammonium, a weak base, led to the proposal that members of this family were capable of energy-dependent concentration of the ammonium ion, NH4+. In bacteria, however, ATP-dependent conversion of methylammonium to γ-N-methylglutamine by glutamine synthetase precludes its use in assessing concentrative transport across the cytoplasmic membrane. We have confirmed that methylammonium is not metabolized in the yeast S. cerevisiae and have shown that it is little metabolized in the filamentous fungus Neurospora crassa. However, its accumulation depends on the energy-dependent acidification of vacuoles. A Δvph1 mutant of S. cerevisiae and a Δvma1 mutant, which lack vacuolar H+-ATPase activity, had large (fivefold or greater) defects in the accumulation of methylammonium, with little accompanying defect in the initial rate of transport. A vma-1 mutant of N. crassa largely metabolized methylammonium to methylglutamine. Thus, in fungi as in bacteria, subsequent energy-dependent utilization of methylammonium precludes its use in assessing active transport across the cytoplasmic membrane. The requirement for a proton gradient to sequester the charged species CH3NH3+ in acidic vacuoles provides evidence that the substrate for MEP proteins is the uncharged species CH3NH2. By inference, their natural substrate is NH3, a gas. We postulate that MEP proteins facilitate diffusion of NH3 across the cytoplasmic membrane and speculate that human Rhesus proteins, which lie in the same domain family as MEP proteins, facilitate diffusion of CO2. PMID:11486013

  7. Conductivity of CH3NH3PbI3 thin film perovskite stored in ambient atmosphere

    NASA Astrophysics Data System (ADS)

    Gebremichael, Bizuneh; Alemu, Getachew; Tessema Mola, Genene

    2017-06-01

    Time dependent conductivity loss in CH3NH3PbI3 thin film perovskite stored in ambient atmosphere were studied based on electrical and optical measurements. Recent investigations on thin film perovskite solar cell suggest that in the steady state operation of the device, the Voc is unchanged by continuous illumination of light. Rather the reduction in the power conversion efficiency is caused by significant reduction of the short circuit current (Jsc). In this paper, the effect of light on the optical absorption and electrical conductivity of the CH3NH3PbI3 thin film which is deposited on a glass substrate is investigated. The temperature dependent conductivity measurements indicated that the dominant conduction mechanism in the film perovskite is electronic rather than ionic.

  8. Rotational spectrum of the NH3-He van der Waals complex

    NASA Astrophysics Data System (ADS)

    Surin, L.; Schnell, M.

    2016-12-01

    The interaction between ammonia and helium has attracted considerable interest over many years, partly because of the observation of interstellar ammonia. The rate coefficients of NH3-He scattering are an important ingredient for numerical modeling of astrochemical environments. Another, though quite different application in which the NH3-He interaction can play an important role is the doping of helium clusters with NH3 molecules to perform high-resolution spectroscopy. Such experiments are directed on the detection of non-classical response of molecular rotation in helium clusters addressing fundamental questions related to the microscopic nature of superfluidity. High-resolution spectroscopy on the NH3-He complex is an important tool for increasing our understanding of intermolecular forces between NH3 and He.

  9. Absolute cross sections for dissociative electron attachment to NH3 and CH4

    NASA Astrophysics Data System (ADS)

    Rawat, Prashant; Prabhudesai, Vaibhav S.; Rahman, M. A.; Ram, N. Bhargava; Krishnakumar, E.

    2008-11-01

    Dissociative electron attachment (DEA) cross sections for NH3 and CH4 are measured in a crossed beam apparatus with special care to eliminate discrimination due to kinetic energy and angular distribution of the fragment ions. The cross sections are put on absolute scale using the relative flow technique. The absolute cross sections for the formation of H- and NH2- from ammonia and H- and CH2- from methane are compared with available data from literature. It is seen that the present results are considerably different 6rom what has been reported before. We also compare the cross sections of the H- channel from these molecules along with that from H2O to those from organic molecules containing alkyl, amino and hydroxyl groups to examine the extent to which the recently observed functional group dependence in the DEA contributes.

  10. Circular photogalvanic effect in organometal halide perovskite CH3NH3PbI3

    NASA Astrophysics Data System (ADS)

    Li, Junwen; Haney, Paul M.

    2016-11-01

    We study the circular photogalvanic effect in the organometal halide perovskite solar cell absorber CH3NH3PbI3. The calculated photocurrent density for a system with broken inversion symmetry is about 10-9 A/W, comparable to the previously studied quantum well and bulk Rashba systems. The circular photogalvanic effect relies on inversion symmetry breaking, so that by tuning the optical penetration depth, the degree of inversion symmetry breaking can be probed at different depths from the sample surface. We propose that measurements of this effect may clarify the presence or absence of inversion symmetry, which remains a controversial issue and has been argued to play an important role in the high conversion efficiency of this material.

  11. Measurement of Bi-Directional Ammonia Exchange Above a Maize Canopy in the Midwestern United States

    NASA Astrophysics Data System (ADS)

    Nelson, A. J.; Vieira-Filho, M. S.; Heuer, M.; Lehmann, C.; Myles, L.; Koloutsou-Vakakis, S.; Rood, M. J.

    2014-12-01

    Crop fertilization contributes to more than 40% of total anthropogenic emissions of ammonia (NH3) in Illinois. NH3 released into the atmospheric environment reacts readily with acidic compounds to form small diameter (<2.5μm) particulate matter (PM2.5) resulting in human health effects and deposition to surfaces causing eutrophication. Such emissions are not well characterized, and improved measurements are needed to further validate air quality models. This study seeks to provide improved understanding of the emission pathway of agricultural NH3 by measuring bi-directional flux of gaseous NH3 in an intensively managed agroecosystem. A relaxed eddy accumulation (REA) system was deployed above a maize canopy at the University of Illinois at Urbana-Champaign (UIUC) Energy Biosciences Institute (EBI) Energy Farm. Average NH3 flux was measured throughout the growing season in four-hour periods during the morning and afternoon. The REA coefficient (β) was monitored for the duration of the season. The highest atmospheric NH3 concentration (8.11 μg/m3) was observed during the period nearest fertilization, with a mean concentration of 4.02 μg/m3 ± 2.15 μg/m3. Generally, larger upward fluxes of gaseous NH3 coincided with higher atmospheric NH3 concentration, but large variations were observed during the season. Observed NH3 flux ranged from -0.20 µg /m2s to 0.97 µg/m2s, where negative flux indicates deposition.

  12. A Guided-Ion Beam Study of the O+(4S) + NH3 System at Hyperthermal Energies

    DTIC Science & Technology

    2008-07-14

    higher Ej, is typical of exothermic- charge transfer in polyatomic systems. In either case, however, there are coincident ions , namely OH+ and D20...REPRINT 3. DATES COVERED (From - To) 4. TITLE AND SUBTITLE A Guided- Ion Beam Study of the 0+(4S) + NH3 System at Hyperthermal Energies 5a. CONTRACT...from near-thermal to approximately 15 eV, using the guided- ion beam (GIB) method. Measurements were also performed using ammonia-^ to aid in mass

  13. VLBI Observations and NH3 Mapping of the Star-forming Region NGC2264

    NASA Astrophysics Data System (ADS)

    Kamezaki, Tatsuya; Imura, Kenji; Nagayama, Takumi; Omodaka, Toshihiro; Handa, Toshihiro; Yamaguchi, Yoshiyuki; Chibueze, James O.; Sunada, Kazuyoshi; Nakano, Makoto

    2013-03-01

    We have measured the annual parallax of the water maser source associated with star forming region NGC2264 from observations with VLBI Exploration of Radio Astrometry (VERA). We detected masers at V LSR = 7.2 km s-1. We discussed its driving sources of detected maser spots. One of the maser spots was associated with a centimeter continuum source observed with VLA. Neither optical, infrared nor X-ray sources is catalogued near the spot. The other maser spot is located close to an X-ray source, although there is no optical or infrared counterpart. The proper motion of the former spot was (μα, μδ) = (23.91 ± 4.29, -29.81 ± 4.27) and the proper motion of latter spot was (μα, μδ) = (-0.96 ± 0.58, -6.05 ± 3.06). For the latter spot, the peculiar motion is ˜ 150 km s-1 and it has the high velocity and this may be a jet or an outflow from a young star. The observed parallax is 1.365 ± 0.098 mas, corresponding to the distance of 738+57 -50 pc. This value is constant with the photometric distance of NGC2264 previously measured. The fitting result of the parallax is shown in figure 1. We also observed in NH3 (1,1), (2,2), (3,3) lines of NGC2264 with the Kashima 34m telescope. We estimated the star formation efficiency (SFE) of NGC2264 from the dense molecular mass of NH3 and the stellar mass calculated by Teixeira et al. (2012). The SFE is 9 - 12% which is consistent with previous results.

  14. Photoinduced Reversible Structural Transformations in Free-Standing CH3NH3PbI3 Perovskite Films.

    PubMed

    Gottesman, Ronen; Gouda, Laxman; Kalanoor, Basanth S; Haltzi, Eynav; Tirosh, Shay; Rosh-Hodesh, Eli; Tischler, Yaakov; Zaban, Arie; Quarti, Claudio; Mosconi, Edoardo; De Angelis, Filippo

    2015-06-18

    In the pursuit to better understand the mechanisms of perovskite solar cells we performed Raman and photoluminescence measurements of free-standing CH3NH3PbI3 films, comparing dark with working conditions. The films, grown on a glass substrate and sealed by a thin glass coverslip, were measured subsequent to dark and white-light pretreatments. The extremely slow changes we observe in both the Raman and photoluminescence cannot be regarded as electronic processes, which are much faster. Thus, the most probable explanation is of slow photoinduced structural changes. The CH3NH3PbI3 transformation between the dark and the light structures is reversible, with faster rates for the changes under illumination. The results seem to clarify several common observations associated with solar cell mechanisms, like performance improvement under light soaking. More important is the call for solar-cell-related investigation of CH3NH3PbI3 to take the photoinduced structural changes into consideration when measuring and interpreting the results.

  15. Star-forming regions of the Aquila rift cloud complex. I. NH3 tracers of dense molecular cores

    NASA Astrophysics Data System (ADS)

    Levshakov, S. A.; Henkel, C.; Reimers, D.; Wang, M.; Mao, R.; Wang, H.; Xu, Y.

    2013-05-01

    Aims: The physics of star formation is an important part of Galactic evolution. Most stars are formed in high-density environments (n > 104 cm-3) and emit lines of diverse molecular transitions. In the present part of our survey we search for ammonia emitters in the Aquila rift complex, which trace the densest regions of molecular clouds. Methods: From a CO survey carried out with the Delingha 14-m telescope we selected ~150 targets for observations in other molecular lines. Here we describe the mapping observations in the NH3(1, 1) and (2, 2) inversion lines of the first 49 sources performed with the Effelsberg 100-m telescope. Results: The NH3(1, 1) emission lines are detected in 12 and the (2, 2) in 7 sources. Among the newly discovered NH3 sources, our sample includes the following well-known clouds: the starless core L694-2, the Serpens cloud cluster B, the Serpens dark cloudL572, the filamentary dark cloud L673, the isolated protostellar source B335, and the complex star-forming region Serpens South. Angular sizes between 40'' and 80'' (~0.04-0.08 pc) are observed for compact starless cores but can be as large as 9' (~0.5 pc) for filamentary dark clouds. The measured kinetic temperatures of the clouds lie between 9 K and 18 K. From NH3 excitation temperatures of 3-8 K we determine H2 densities with typical values of ~ (0.4-4) × 104 cm-3. The masses of the mapped cores range between ~0.05 and ~ 0.5 M⊙. The relative ammonia abundance X = [NH3]/[H2] varies from 1 × 10-7 to 5 × 10-7 with the mean ⟨ X ⟩ = (2.7 ± 0.6) × 10-7 (estimated from spatially resolved cores assuming a filling factor of η = 1). In two clouds, we observe kinematically split NH3 profiles separated by ~1 km s-1. The splitting is most likely due to bipolar molecular outflows, for one of which we determine an acceleration of V ˙ ≲ 0.03 km s-1 yr-1. A starless core with significant rotational energy is found to have a higher kinetic temperature than the other ones, which is probably

  16. Communication: Equivalence between symmetric and antisymmetric stretching modes of NH3 in promoting H + NH3 → H2 + NH2 reaction

    NASA Astrophysics Data System (ADS)

    Song, Hongwei; Yang, Minghui; Guo, Hua

    2016-10-01

    Vibrational excitations of reactants sometimes promote reactions more effectively than the same amount of translational energy. Such mode specificity provides insights into the transition-state modulation of reactivity and might be used to control chemical reactions. We report here a state-of-the-art full-dimensional quantum dynamical study of the hydrogen abstraction reaction H + NH3 → H2 + NH2 on an accurate ab initio based global potential energy surface. This reaction serves as an ideal candidate to study the relative efficacies of symmetric and degenerate antisymmetric stretching modes. Strong mode specificity, particularly for the NH3 stretching modes, is demonstrated. It is further shown that nearly identical efficacies of the symmetric and antisymmetric stretching modes of NH3 in promoting the reaction can be understood in terms of local-mode stretching vibrations of the reactant molecule.

  17. Photocarrier recombination dynamics in perovskite CH3NH3PbI3 for solar cell applications.

    PubMed

    Yamada, Yasuhiro; Nakamura, Toru; Endo, Masaru; Wakamiya, Atsushi; Kanemitsu, Yoshihiko

    2014-08-20

    Using time-resolved photoluminescence and transient absorption measurements at room temperature, we report excitation-intensity-dependent photocarrier recombination processes in thin films made from the organo-metal halide perovskite semiconductor CH3NH3PbI3 for solar-cell applications. The photocarrier dynamics are well described by a simple rate equation including single-carrier trapping and electron-hole radiative recombination. This result provides clear evidence that the free-carrier model is better than the exciton model for interpreting the optical properties of CH3NH3PbI3. The observed large two-carrier recombination rate suggests the promising potential of perovskite semiconductors for optoelectronic device applications. Our findings provide the information about the dynamical behaviors of photoexcited carriers that is needed for developing high-efficiency perovskite solar cells.

  18. Effects of co-processing sewage sludge in cement kiln on NOx, NH3 and PAHs emissions.

    PubMed

    Lv, Dong; Zhu, Tianle; Liu, Runwei; Lv, Qingzhi; Sun, Ye; Wang, Hongmei; Liu, Yu; Zhang, Fan

    2016-09-01

    The effects of co-processing sewage sludge in cement kiln on NOx, NH3 and PAHs emissions were systematically investigated in a cement production line in Beijing. The results show that co-processing the sewage sludge was helpful to reduce NOx emission, which primarily depends on the NH3 amount released from the sewage sludge. Meanwhile, NOx and NH3 concentrations in the flue gas have a negative correlation, and the contribution of feeding the sewage sludge to NOx removal decreased with the increase of injection amount of ammonia water in the SNCR system. Therefore, it is suggested that the injection amount of ammonia water in SNCR system may reduce to cut down the operating costs during co-processing the sewage sludge in cement kiln. In addition, the emission of total PAHs seems to increase with the increased amount of the sewage sludge feeding to the cement kiln. However, the distributions of PAHs were barely changed, and lower molecular weight PAHs were mainly distributed in gaseous phase, accounted for the major portion of PAHs when co-processing sewage sludge in cement kiln. Copyright © 2016 Elsevier Ltd. All rights reserved.

  19. Ultra-sensitive and selective NH3 room temperature gas sensing induced by manganese-doped titanium dioxide nanoparticles.

    PubMed

    Tshabalala, Zamaswazi P; Shingange, Katekani; Cummings, Franscious R; Ntwaeaborwa, Odireleng M; Mhlongo, Gugu H; Motaung, David E

    2017-10-15

    The study of the fabrication of ultra-high sensitive and selective room temperature ammonia (NH3) and nitrogen dioxide (NO2) gas sensors remains an important scientific challenge in the gas sensing field. This is motivated by their harmful impact on the human health and environment. Therefore, herein, we report for the first time on the gas sensing properties of TiO2 nanoparticles doped with various concentrations of manganese (Mn) (1.0, 1.5, 2.0, 2.5 and 3.0mol.% presented as S1, S2, S3, S4 and S5, respectively), synthesized using hydrothermal method. Structural analyses showed that both undoped and Mn-doped TiO2 crystallized in tetragonal phases. Optical studies revealed that the Mn doped TiO2 nanoparticles have enhanced UV→Vis emission with a broad shoulder at 540nm, signifying induced defects by substituting Ti(4+) ions with Mn(2+). The X-ray photoelectron spectroscopy and the electron paramagnetic resonance studies revealed the presence of Ti(3+) and singly ionized oxygen vacancies in both pure and Mn doped TiO2 nanoparticles. Additionally, a hyperfine split due to Mn(2+) ferromagnetic ordering was observed, confirming incorporation of Mn ions into the lattice sites. The sensitivity, selectivity, operating temperature, and response-recovery times were thoroughly evaluated according to the alteration in the materials electrical resistance in the presence of the target gases. Gas sensing studies showed that Mn(2+) doped on the TiO2 surface improved the NH3 sensing performance in terms of response, sensitivity and selectivity. The S1 sensing material revealed higher sensitivity of 127.39 at 20 ppm NH3 gas. The sensing mechanism towards NH3 gas is also proposed. Copyright © 2017 Elsevier Inc. All rights reserved.

  20. Economical measurement of particle concentration

    NASA Technical Reports Server (NTRS)

    Mccluney, W. R.

    1977-01-01

    Meter utilizes three optical systems to detect light scattered by particles in hydrosol at 2 deg and 90 deg simultaneously. Device has capability to detect relative amounts of organic and inorganic contaminants and, with proper calibration, to measure contribution of various species to changes in contamination levels in liquid mediums.

  1. Perovskite CH3NH3PbI3 crystals and films. Synthesis and characterization

    NASA Astrophysics Data System (ADS)

    Semenova, O. I.; Yudanova, E. S.; Yeryukov, N. A.; Zhivodkov, Y. A.; Shamirzaev, T. S.; Maximovskiy, E. A.; Gromilov, S. A.; Troitskaia, I. B.

    2017-03-01

    Synthesis of organometal halide perovskite CH3NH3PbI3 has received much attention recently because of promising photosensitive properties usable for solid state solar cell (SSSC). Here the crystals of tetragonal phase (I4/mcm, a =8.8743 Å, c =12.6708 Å) of CH3NH3PbI3 were prepared. Formation of the CH3NH3PbI3 crystals was controlled by the SEM, EDS, XRD and Raman spectroscopy. Optical characteristics of the crystals were obtained using PL spectrometry and spectral ellipsometry methods. PL spectra of orthorhombic phase of CH3NH3PbI3 crystals were recorded the first time. Taking into account the practice use, the CH3NH3PbI3 films are obtained via the sol-gel method with ;spin-on; coating of CH3NH3PbI3 sol. The films are 500 nm in thickness and exhibit an openwork structure. Such a structure is optimal for SSSC construction because it increases the surface contact area between CH3NH3PbI3 and p-conductor.

  2. Conversion of Fe-NH2 to Fe-N2 with release of NH3

    PubMed Central

    Anderson, John S.; Moret, Marc-Etienne; Peters, Jonas C.

    2013-01-01

    Tris(phosphine)borane ligated Fe(I) centers featuring N2H4, NH3, NH2, and OH ligands are described. Conversion of Fe-NH2 to Fe-NH3+ by addition of acid, and subsequent reductive release of NH3 to generate Fe-N2, is demonstrated. This sequence models the final steps of proposed Fe-mediated nitrogen fixation pathways. The five-coordinate trigonal bipyramidal complexes described are unusual in that they adopt S = 3/2 ground states and are prepared from a four-coordinate, S = 3/2 trigonal pyramidal precursor. PMID:23259776

  3. Shock-excited NH3 (3, 3) masers in the NGC 6334 star-forming region

    NASA Technical Reports Server (NTRS)

    Kraemer, Kathleen E.; Jackson, James M.

    1995-01-01

    We report the discovery of four NH3 (3, 3) masers in the NGC 6334 star formation region. The masers are found in two of the seven far-infrared continuum sources where high-mass star formation is taking place in this molecular cloud. These masers occur at the ends of high-velocity molecular outflows; no maser emission was found near regions without high-velocity outflows. The NH3 masers are not associated with any other type of maser. These results confirm that the NH3 (3, 3) masers are caused by shocks and probably mark the location where the molecular outflow jet impinges upon the ambient medium.

  4. Shock-excited NH3 (3, 3) masers in the NGC 6334 star-forming region

    NASA Technical Reports Server (NTRS)

    Kraemer, Kathleen E.; Jackson, James M.

    1995-01-01

    We report the discovery of four NH3 (3, 3) masers in the NGC 6334 star formation region. The masers are found in two of the seven far-infrared continuum sources where high-mass star formation is taking place in this molecular cloud. These masers occur at the ends of high-velocity molecular outflows; no maser emission was found near regions without high-velocity outflows. The NH3 masers are not associated with any other type of maser. These results confirm that the NH3 (3, 3) masers are caused by shocks and probably mark the location where the molecular outflow jet impinges upon the ambient medium.

  5. CH3NH3PbI3 based solar cell: Modified by antisolvent treatment

    NASA Astrophysics Data System (ADS)

    Nandi, Pronoy; Giri, Chandan; Bansode, Umesh; Topwal, D.

    2017-05-01

    Solar cells based on new class of organic inorganic hybrid perovskite CH3NH3PbI3 were prepared by Ethyl acetate (EA); antisolvent treatment for the first time. This treatment results in new morphology for CH3NH3PbI3 thin film. FESEM image shows microrod type structures of CH3NH3PbI3 after EA antisolvent treatment. Energy band diagram was constructed using photoluminescence and photoemission studies. A better power conversion efficiency was achieved in EA treated film compare to without EA treated film.

  6. Device simulation of lead-free CH3NH3SnI3 perovskite solar cells with high efficiency

    NASA Astrophysics Data System (ADS)

    Du, Hui-Jing; Wang, Wei-Chao; Zhu, Jian-Zhuo

    2016-10-01

    The lead-free perovskite solar cells (PSCs) have drawn a great deal of research interest due to the Pb toxicity of the lead halide perovskite. CH3NH3SnI3 is a viable alternative to CH3NH3PbX3, because it has a narrower band gap of 1.3 eV and a wider visible absorption spectrum than the lead halide perovskite. The progress of fabricating tin iodide PSCs with good stability has stimulated the studies of these CH3NH3SnI3 based cells greatly. In the paper, we study the influences of various parameters on the solar cell performance through theoretical analysis and device simulation. It is found in the simulation that the solar cell performance can be improved to some extent by adjusting the doping concentration of the perovskite absorption layer and the electron affinity of the buffer and HTM, while the reduction of the defect density of the perovskite absorption layer significantly improves the cell performance. By further optimizing the parameters of the doping concentration (1.3× 1016 cm-3) and the defect density (1× 1015 cm-3) of perovskite absorption layer, and the electron affinity of buffer (4.0 eV) and HTM (2.6 eV), we finally obtain some encouraging results of the J sc of 31.59 mA/cm2, V oc of 0.92 V, FF of 79.99%, and PCE of 23.36%. The results show that the lead-free CH3NH3SnI3 PSC is a potential environmentally friendly solar cell with high efficiency. Improving the Sn2 + stability and reducing the defect density of CH3NH3SnI3 are key issues for the future research, which can be solved by improving the fabrication and encapsulation process of the cell. Project supported by the Graduate Student Education Teaching Reform Project, China (Grant No. JG201512) and the Young Teachers Research Project of Yanshan University, China (Grant No. 13LGB028).

  7. Emissions of NO and NH3 from a Typical Vegetable-Land Soil after the Application of Chemical N Fertilizers in the Pearl River Delta

    PubMed Central

    Li, Dejun

    2013-01-01

    Cropland soil is an important source of atmospheric nitric oxide (NO) and ammonia (NH3). Chinese croplands are characterized by intensive management, but limited information is available with regard to NO emissions from croplands in China and NH3 emissions in south China. In this study, a mesocosm experiment was conducted to measure NO and NH3 emissions from a typical vegetable-land soil in the Pearl River Delta following the applications of 150 kg N ha−1 as urea, ammonium nitrate (AN) and ammonium bicarbonate (ABC), respectively. Over the sampling period after fertilization (72 days for NO and 39 days for NH3), mean NO fluxes (± standard error of three replicates) in the control and urea, AN and ABC fertilized mesocosms were 10.9±0.9, 73.1±2.9, 63.9±1.8 and 66.0±4.0 ng N m−2 s−1, respectively; mean NH3 fluxes were 8.9±0.2, 493.6±4.4, 144.8±0.1 and 684.7±8.4 ng N m−2 s−1, respectively. The fertilizer-induced NO emission factors for urea, AN and ABC were 2.6±0.1%, 2.2±0.1% and 2.3±0.2%, respectively. The fertilizer-induced NH3 emission factors for the three fertilizers were 10.9±0.2%, 3.1±0.1% and 15.2±0.4%, respectively. From the perspective of air quality protection, it would be better to increase the proportion of AN application due to its lower emission factors for both NO and NH3. PMID:23527173

  8. Growth and evolution of solution-processed CH3NH3PbI3-xClx layer for highly efficient planar-heterojunction perovskite solar cells

    NASA Astrophysics Data System (ADS)

    Liu, Jiang; Lin, Jiahui; Xue, Qifan; Ye, Qinyan; He, Xulin; Ouyang, Liangqi; Zhuang, Daming; Liao, Cheng; Yip, Hin-Lap; Mei, Jun; Lau, Woon-Ming

    2016-01-01

    Methylammoniumn lead iodide perovskites have attracted great attention in photovoltaic research community. In this work, we demonstrate the results of studies focusing on the chemical reaction of CH3NH3PbI3-xClx layer formation during the annealing of perovskite precursor films. We identified two kinds of grain morphologies during the formation of perovskite films grown from non-stoichiometric precursor solution. To form single-phase and high absorbance perovskite films, higher concentration of chloride in precursor solution needs longer annealing time and only a very low Cl content could be incorporated in the final CH3NH3PbI3-xClx films. Adding PbCl2-3CH3NH3I to PbI2-CH3NH3I precursor solution can allow a good control of the growth rate and morphology for the final perovskite film, and is beneficial to the photovoltaic performance of perovskite devices. By employing the precursor solutions of PbCl2, PbI2 and CH3NH3I with a mole ratio of 1:1:4 and inserting an ultrathin amino-functionalized polymer interlayer, we achieved planar perovskite solar cell with maximum power conversion efficiency of over 15%.

  9. Solvent-Mediated Crystallization of CH3NH3SnI3 Films for Heterojunction Depleted Perovskite Solar Cells.

    PubMed

    Hao, Feng; Stoumpos, Constantinos C; Guo, Peijun; Zhou, Nanjia; Marks, Tobin J; Chang, Robert P H; Kanatzidis, Mercouri G

    2015-09-09

    Organo-lead halide perovskite solar cells have gained enormous significance and have now achieved power conversion efficiencies of ∼20%. However, the potential toxicity of lead in these systems raises environmental concerns for widespread deployment. Here we investigate solvent effects on the crystallization of the lead-free methylammonium tin triiodide (CH3NH3SnI3) perovskite films in a solution growth process. Highly uniform, pinhole-free perovskite films are obtained from a dimethyl sulfoxide (DMSO) solution via a transitional SnI2·3DMSO intermediate phase. This high-quality perovskite film enables the realization of heterojunction depleted solar cells based on mesoporous TiO2 layer but in the absence of any hole-transporting material with an unprecedented photocurrent up to 21 mA cm(-2). Charge extraction and transient photovoltage decay measurements reveal high carrier densities in the CH3NH3SnI3 perovskite device which are one order of magnitude larger than CH3NH3PbI3-based devices but with comparable recombination lifetimes in both devices. The relatively high background dark carrier density of the Sn-based perovskite is responsible for the lower photovoltaic efficiency in comparison to the Pb-based analogues. These results provide important progress toward achieving improved perovskite morphology control in realizing solution-processed highly efficient lead-free perovskite solar cells.

  10. Star-forming regions of the Aquila rift cloud complex. II. Turbulence in molecular cores probed by NH3 emission

    NASA Astrophysics Data System (ADS)

    Levshakov, S. A.; Henkel, C.; Reimers, D.; Wang, M.

    2014-07-01

    Aims: We intend to derive statistical properties of stochastic gas motion inside the dense, low-mass star-forming molecular cores that are traced by NH3(1, 1) and (2, 2) emission lines. Methods: We use the spatial two-point autocorrelation (ACF) and structure functions calculated from maps of the radial velocity fields. Results: The observed ammonia cores are characterized by complex intrinsic motions of stochastic nature. The measured kinetic temperature ranges between 8.8 K and 15.1 K. From NH3 excitation temperatures of 3.5-7.3 K, we determine H2 densities with typical values of nH2~ (1-6) × 104 cm-3. The ammonia abundance, X = [NH3]/[H2], varies from 2 × 10-8 to 1.5 × 10-7. We find oscillating ACFs, which eventually decay to zero with increasing lags on scales of 0.04 ≲ ℓ ≲ 0.5 pc. The current paradigm supposes that the star-formation process is controlled by the interplay between gravitation and turbulence with the latter preventing molecular cores from a rapid collapse due to their own gravity. Thus, oscillating ACFs may indicate a damping of the developed turbulent flows surrounding the dense but less turbulent core, a transition to dominating gravitational forces and, hence, to gravitational collapse. Appendix A is available in electronic form at http://www.aanda.org

  11. Role of the support on the behavior of Ag-based catalysts for NH3 selective catalytic oxidation (NH3-SCO)

    NASA Astrophysics Data System (ADS)

    Qu, Zhenping; Wang, Hui; Wang, Shudong; Cheng, Hao; Qin, Yuan; Wang, Zhong

    2014-10-01

    In this work four supports with different textural properties (Al2O3, SiO2, NaY and TiO2) are used to evaluate the formation of different silver species and their effect on the NH3-SCO performance. Characterization analyses have shown that the predominant Ag0 species and the oxidized Ag species (Ag+ and Agnδ+) are located on the four catalysts with different ratio of Ag0/oxidized Ag. Small Ag0 particle with high dispersion which is obtained on 10 wt% Ag/Al2O3 (5 nm, Ag0 ratio = 97.7%) shows an excellent catalytic performance for SCO reaction at low temperatures (a complete NH3 conversion at 180 °C and a high N2 selectivity of 89%). In addition, a certain amount of oxidized Ag species formed on the catalysts, especially for the NaY and SiO2 support, as well as the surface acidity of catalysts have also been found to play an important role in the enhanced N2 selectivity above 140 °C by promoting iSCR reaction involving NO as an intermediate for N2 formation. A model to relate the silver species with the performance of NH3-SCO is proposed, which is very significant for the further optimization of the catalyst (e.g. choosing a suitable support) for NH3-SCO reaction and its practical application in the future.

  12. Effects of NH3 Flow Rate During AlGaN Barrier Layer Growth on the Material Properties of AlGaN/GaN HEMT Heterostructure

    NASA Astrophysics Data System (ADS)

    Lumbantoruan, Franky J.; Wong, Yuen-Yee; Huang, Wei-Ching; Yu, Hung-Wei; Chang, Edward-Yi

    2017-10-01

    NH3 flow rate during AlGaN barrier layer growth not only affects the growth efficiency and surface morphology as a result of parasitic reactions but also influences the concentration of carbon impurity in the AlGaN barrier. Carbon, which decomposes from metal precursors, plays a role in electron compensation for AlGaN/GaN HEMT. No 2-dimensional electron gas (2-DEG) was detected in the AlGaN/GaN structure if grown with 0.5 slm of NH3 due to the presence of higher carbon impurity (2.6 × 1019 cm-2). When the NH3 flow rate increased to 6.0 slm, the carbon impurity reduced to 2.10 × 1018 atom cm-3 and the 2 DEG electron density recovered to 9.57 × 1012 cm-2.

  13. Effects of NH3 Flow Rate During AlGaN Barrier Layer Growth on the Material Properties of AlGaN/GaN HEMT Heterostructure

    NASA Astrophysics Data System (ADS)

    Lumbantoruan, Franky J.; Wong, Yuen-Yee; Huang, Wei-Ching; Yu, Hung-Wei; Chang, Edward-Yi

    2017-05-01

    NH3 flow rate during AlGaN barrier layer growth not only affects the growth efficiency and surface morphology as a result of parasitic reactions but also influences the concentration of carbon impurity in the AlGaN barrier. Carbon, which decomposes from metal precursors, plays a role in electron compensation for AlGaN/GaN HEMT. No 2-dimensional electron gas (2-DEG) was detected in the AlGaN/GaN structure if grown with 0.5 slm of NH3 due to the presence of higher carbon impurity (2.6 × 1019 cm-2). When the NH3 flow rate increased to 6.0 slm, the carbon impurity reduced to 2.10 × 1018 atom cm-3 and the 2 DEG electron density recovered to 9.57 × 1012 cm-2.

  14. Electrets to measure ion concentration in air.

    PubMed

    Kotrappa, P

    2005-08-01

    Positive and negative ions are produced in air, mainly due to radon and terrestrial/cosmic radiation sources. Measuring ion concentration in air indirectly provides a measure of these sources. Electrets (electrically charged pieces of Teflon), when exposed in the environment, collect ions of opposite sign leading to a measurable decrease in charge, depending upon the exposure time and ion concentration. This work describes a method of correlating electret discharge rate to the ion concentration as measured by a calibrated ion density meter. Once calibrated, electrets can then be used to measure ion concentration of either sign. The ion concentration in ambient air was measured to be about 200 ions mL(-1), measured over several hours. Both positive and negative ion concentrations were similar. In a typical room, negative ion concentration was about 3,500 ions mL(-1), and, surprisingly, there were no positive ions at all in that room. Being an integrating passive device, the method provides the unique possibility of measuring low or high concentrations of positive or negative ions over extended periods, which is difficult to do with other ion concentration measuring instruments.

  15. The Green Bank Ammonia Survey: First Results of NH3 Mapping of the Gould Belt

    NASA Astrophysics Data System (ADS)

    Friesen, Rachel K.; Pineda, Jaime E.; co-PIs; Rosolowsky, Erik; Alves, Felipe; Chacón-Tanarro, Ana; How-Huan Chen, Hope; Chun-Yuan Chen, Michael; Di Francesco, James; Keown, Jared; Kirk, Helen; Punanova, Anna; Seo, Youngmin; Shirley, Yancy; Ginsburg, Adam; Hall, Christine; Offner, Stella S. R.; Singh, Ayushi; Arce, Héctor G.; Caselli, Paola; Goodman, Alyssa A.; Martin, Peter G.; Matzner, Christopher; Myers, Philip C.; Redaelli, Elena; GAS Collaboration

    2017-07-01

    We present an overview of the first data release (DR1) and first-look science from the Green Bank Ammonia Survey (GAS). GAS is a Large Program at the Green Bank Telescope to map all Gould Belt star-forming regions with {A}{{V}}≳ 7 mag visible from the northern hemisphere in emission from NH3 and other key molecular tracers. This first release includes the data for four regions in the Gould Belt clouds: B18 in Taurus, NGC 1333 in Perseus, L1688 in Ophiuchus, and Orion A North in Orion. We compare the NH3 emission to dust continuum emission from Herschel and find that the two tracers correspond closely. We find that NH3 is present in over 60% of the lines of sight with {A}{{V}}≳ 7 mag in three of the four DR1 regions, in agreement with expectations from previous observations. The sole exception is B18, where NH3 is detected toward ˜40% of the lines of sight with {A}{{V}}≳ 7 mag. Moreover, we find that the NH3 emission is generally extended beyond the typical 0.1 pc length scales of dense cores. We produce maps of the gas kinematics, temperature, and NH3 column densities through forward modeling of the hyperfine structure of the NH3 (1, 1) and (2, 2) lines. We show that the NH3 velocity dispersion, {σ }v, and gas kinetic temperature, T K, vary systematically between the regions included in this release, with an increase in both the mean value and the spread of {σ }v and T K with increasing star formation activity. The data presented in this paper are publicly available (https://dataverse.harvard.edu/dataverse/GAS_DR1).

  16. Diffusion length of photo-generated charge carriers in layers and powders of CH3NH3PbI3 perovskite

    NASA Astrophysics Data System (ADS)

    Dittrich, Th.; Lang, F.; Shargaieva, O.; Rappich, J.; Nickel, N. H.; Unger, E.; Rech, B.

    2016-08-01

    The diffusion or transport lengths of photo-generated charge carriers in CH3NH3PbI3 layers (thickness up to 1 μm) and powders have been directly measured with high accuracy by modulated surface photovoltage after Goodman. The values of the diffusion lengths of photo-generated charge carriers ranged from 200 nm to tenths of μm. In thin CH3NH3PbI3 layers, the transport lengths corresponded to the layer thickness whereas in thicker layers and in crystallites of CH3NH3PbI3 powders the grain size limited the diffusion length. For grains, the diffusion length of photo-generated charge carriers depended on the measurement conditions.

  17. Improvement of thermal stability of nickel silicide film using NH3 plasma treatment

    NASA Astrophysics Data System (ADS)

    Park, Jingyu; Jeon, Heeyoung; Kim, Hyunjung; Jang, Woochool; Kim, Jinho; Kang, Chunho; Yuh, Junhan; Jeon, Hyeongtag

    2014-09-01

    In this study, the effects of NH3 plasma pre-treatment on the characteristics of NiSi films were investigated. Nickel film was deposited on a Si(100) substrate by meal-organic chemical vapor deposition (MOCVD) using Ni(iPr-DAD)2 as a Ni precursor and NH3 gas as a reactant. Before the Ni deposition, silicon substrate was treated by NH3 plasma with various flow rates to adjust the amount of inserted hydrogen and nitrogen atoms. The Ni films showed a considerable low sheet resistance around 12 Ω/□, irrespective of the NH3 plasma pre-treatment conditions. The sheet resistance of the all Ni films was decreased after annealing at 500 °C due to formation of a low resistive NiSi phase. NiSi films with a high flow rate of NH3 plasma pre-treatment exhibited a lower sheet resistance and smoother interface between NiSi and the Si substrate than the low flow rate of the NH3 plasma pre-treated NiSi films because lots of nitrogen atoms incorporated at grain boundary of NiSi which result in reduce total surface/interface energy of NiSi and enhancement interface characteristics.

  18. Racemic monoperoxovanadium(V) complexes with achiral OO and ON donor set heteroligands: synthesis, crystal structure and stereochemistry of [NH3(CH2)2NH3][VO(O2)(ox)(pic)].2H2O and [NH3(CH2)2NH3][VO(O2)(ox)(pca)].

    PubMed

    Tatiersky, Jozef; Schwendt, Peter; Sivák, Michal; Marek, Jaromír

    2005-07-07

    Monoperoxovanadium(V) complexes, [NH3(CH2)2NH3][VO(O2)(ox)(pic)].2H2O (1) and [NH3(CH2)2NH3][VO(O2)(ox)(pca)] (2) [NH3(CH2)2NH3 = ethane-1,2-diammonium(2+), ox=oxalate(2-), pic=pyridine-2-carboxylate(1-), pca=pyrazine-2-carboxylate(1-)], were synthesized and characterized by X-ray analysis, IR and Raman spectroscopies. The five equatorial positions of the pentagonal bipyramid around the vanadium atoms are occupied by the eta2-peroxo ligand, two oxygen atoms of the ox, and the nitrogen atom of the pic or pca ligands, respectively. The oxo ligand and the oxygen atom of pic or pca are in the axial positions. Networks of X-HO (X=C, N or O) hydrogen bonds, and pi-pi interactions between aromatic rings in and anion-pi interactions in , determine the molecular packings and build up the supramolecular architecture. Three stereochemical rules for occupation of the donor sites in two-heteroligand [VO(O2)(L1)(L2)] complexes (L1, L2 are bidentate neutral or differently charged anionic heteroligands providing an OO, NN or ON donor set) are discussed. and crystallize as racemic compounds. The 51V NMR spectra proved that the parent complex anions of and partially decompose on dissolution in water to the monoperoxo-ox, -pic or -pca complexes.

  19. Numerical analysis of a mixture of Ar/NH3 microwave plasma chemical vapor deposition reactor

    NASA Astrophysics Data System (ADS)

    Li, Zhi; Zhao, Zhen; Li, Xuehui

    2012-06-01

    A two-dimensional fluid model has been used to investigate the properties of plasma in Ar/NH3 microwave electron cyclotron resonance discharge at low pressure. The electromagnetic field model solved by the three-dimensional Simpson method is coupled to a fluid plasma model. The finite difference method was employed to discrete the governing equations. 40 species (neutrals, radicals, ions, and electrons) are consisted in the model. In total, 75 electron-neutral, 43 electron-ion, 167 neutral-neutral, 129 ion-neutral, 28 ion-ion, and 90 3-body reactions are used in the model. According to the simulation, the distribution of the densities of the considered plasma species has been showed and the mechanisms of their variations have been discussed. It is found that the main neutrals (Ar*, Ar**, NH3*, NH, H2, NH2, H, and N2) are present at high densities in Ar/NH3 microwave electron cyclotron resonance discharge when the mixing ratio of Ar/NH3 is 1:1 at 20 Pa. The density of NH is more than that of NH2 atom. And NH3+ are the most important ammonia ions. But the uniformity of the space distribution of NH3+ is lower than the other ammonia ions.

  20. Charge transfer in the electron donor-acceptor complex BH3NH3.

    PubMed

    Mo, Yirong; Song, Lingchun; Wu, Wei; Zhang, Qianer

    2004-03-31

    As a simple yet strongly binding electron donor-acceptor (EDA) complex, BH(3)NH(3) serves as a good example to study the electron pair donor-acceptor complexes. We employed both the ab initio valence bond (VB) and block-localized wave function (BLW) methods to explore the electron transfer from NH(3) to BH(3). Conventionally, EDA complexes have been described by two diabatic states: one neutral state and one ionic charge-transferred state. Ab initio VB self-consistent field (VBSCF) computations generate the energy profiles of the two diabatic states together with the adiabatic (ground) state. Our calculations evidently demonstrated that the electron transfer between NH(3) and BH(3) falls in the abnormal regime where the reorganization energy is less than the exoergicity of the reaction. The nature of the NH(3)-BH(3) interaction is probed by an energy decomposition scheme based on the BLW method. We found that the variation of the charge-transfer energy with the donor-acceptor distance is insensitive to the computation levels and basis sets, but the estimation of the amount of electron transferred heavily depends on the population analysis procedures. The recent resurgence of interest in the nature of the rotation barrier in ethane prompted us to analyze the conformational change of BH(3)NH(3), which is an isoelectronic system with ethane. We found that the preference of the staggered structure over the eclipsed structure of BH(3)NH(3) is dominated by the Pauli exchange repulsion.

  1. Effects of in-situ NH3 post plasma treatment on the surface passivation layer

    NASA Astrophysics Data System (ADS)

    Lee, Kyung Dong; Kang, Min Gu; Kim, Young Do; Tark, Sung Ju; Park, Sungeun; Kim, Donghwan

    2011-12-01

    Hydrogenated silicon nitride (SiNx:H) using plasma enhanced chemical vapor deposition is widely used in photovoltaic industry as an antireflection coating and passivation layer. The samples with or without in-situ NH3 post-plasma treatment had the following structures: SiNx/N-type Si/SiNx versus in-situ NH3 post-plasma treated SiNx/N-type Si/SiNx. The wafer was dipped in saw-damage-etching solution and wet cleaning process was treated. After the dry process with N2 atmosphere, SiNx thin film was deposited on back surface. Then SiNx thin film was deposited on the front surface with or without in-situ NH3 post-plasma treatment process. In order to minimize the plasma induced surface damage, we used lower power than the process power during the NH3 post-plasma treatment. After the in-situ NH3 post-plasma-treatment, we analyzed the effect of this in-situ NH3 post-plasma-treatment for passivation. The minority carrier lifetime was observed by means of quasi-steady-state photoconductance and microwave photoconductance.

  2. The effect of wind velocity, air temperature and humidity on NH 3 and SO 2 transfer into bean leaves ( phaseolus vulgaris L.)

    NASA Astrophysics Data System (ADS)

    van Hove, L. W. A.; Vredenberg, W. J.; Adema, E. H.

    The influence of wind velocity, air temperature and vapour pressure deficit of the air (VPD) on NH 3 and SO 2 transfer into bean leaves ( Phaseolus vulgaris L.) was examined using a leaf chamber. The measurements suggested a transition in the properties of the leaf boundary layer at a wind velocity of 0.3-0.4 ms -1 which corresponds to a Recrit value of about 2000. At higher wind velocities the leaf boundary layer resistance ( rb) was 1.5-2 times lower than can be calculated from the theory. Nevertheless, the assessed relationships between rb and wind velocity appeared to be similar to the theoretical derived relationship for rb. The NH 3 flux and in particular the SO 2 flux into the leaf strongly increased at a VPD decline. The increase of the NH 3 flux could be attributed to an increase of the stomatal conductance ( gs). However, the increase of the SO 2 flux could only partly be explained by an increase of gs. An apparent additional uptake was also observed for the NH 3 uptake at a low temperature and VPD. The SO 2 flux was also influenced by air temperature which could be explained by a temperature effect on gs. The results suggest that calculation of the NH 3 and SO 2 flux using data of gs gives a serious understimation of the real flux of these gases into leaves at a low temperature and VPD.

  3. Low-temperature selective catalytic reduction of NO with NH3 over nanoflaky MnOx on carbon nanotubes in situ prepared via a chemical bath deposition route

    NASA Astrophysics Data System (ADS)

    Fang, Cheng; Zhang, Dengsong; Cai, Sixiang; Zhang, Lei; Huang, Lei; Li, Hongrui; Maitarad, Phornphimon; Shi, Liyi; Gao, Ruihua; Zhang, Jianping

    2013-09-01

    Nanoflaky MnOx on carbon nanotubes (nf-MnOx@CNTs) was in situ synthesized by a facile chemical bath deposition route for low-temperature selective catalytic reduction (SCR) of NO with NH3. This catalyst was mainly characterized by the techniques of X-ray diffraction (XRD), transmission electron microscopy (TEM), scanning electron microscopy (SEM), N2 adsorption-desorption analysis, X-ray photoelectron spectroscopy (XPS), H2 temperature-programmed reduction (H2-TPR) and NH3 temperature-programmed desorption (NH3-TPD). The SEM, TEM, XRD results and N2 adsorption-desorption analysis indicated that the CNTs were surrounded by nanoflaky MnOx and the obtained catalyst exhibited a large surface area as well. Compared with the MnOx/CNT and MnOx/TiO2 catalysts prepared by an impregnation method, the nf-MnOx@CNTs presented better NH3-SCR activity at low temperature and a more extensive operating temperature window. The XPS results showed that a higher atomic concentration of Mn4+ and more chemisorbed oxygen species existed on the surface of CNTs for nf-MnOx@CNTs. The H2-TPR and NH3-TPD results demonstrated that the nf-MnOx@CNTs possessed stronger reducing ability, more acid sites and stronger acid strength than the other two catalysts. Based on the above mentioned favourable properties, the nf-MnOx@CNT catalyst has an excellent performance in the low-temperature SCR of NO to N2 with NH3. In addition, the nf-MnOx@CNT catalyst also presented favourable stability and H2O resistance.Nanoflaky MnOx on carbon nanotubes (nf-MnOx@CNTs) was in situ synthesized by a facile chemical bath deposition route for low-temperature selective catalytic reduction (SCR) of NO with NH3. This catalyst was mainly characterized by the techniques of X-ray diffraction (XRD), transmission electron microscopy (TEM), scanning electron microscopy (SEM), N2 adsorption-desorption analysis, X-ray photoelectron spectroscopy (XPS), H2 temperature-programmed reduction (H2-TPR) and NH3 temperature

  4. Quadrupole splittings in the near-infrared spectrum of 14NH3

    NASA Astrophysics Data System (ADS)

    Twagirayezu, Sylvestre; Hall, Gregory E.; Sears, Trevor J.

    2016-10-01

    Sub-Doppler, saturation dip, spectra of lines in the v1 + v3, v1 + 2v4, and v3 + 2v4 bands of 14NH3 have been measured by frequency comb-referenced diode laser absorption spectroscopy. The observed spectral line widths are dominated by transit time broadening and show resolved or partially-resolved hyperfine splittings that are primarily determined by the 14N quadrupole coupling. Modeling of the observed line shapes based on the known hyperfine level structure of the ground state of the molecule shows that, in nearly all cases, the excited state level has hyperfine splittings similar to the same rotational level in the ground state. The data provide accurate frequencies for the line positions and easily separate lines overlapped in Doppler-limited spectra. The observed hyperfine splittings can be used to make and confirm rotational assignments and ground state combination differences obtained from the measured frequencies are comparable in accuracy to those obtained from conventional microwave spectroscopy. Several of the measured transitions do not show the quadrupole hyperfine splittings expected based on their existing rotational assignments. Either the assignments are incorrect or the upper levels involved are perturbed in a way that affects the nuclear hyperfine structure.

  5. Quadrupole splittings in the near-infrared spectrum of 14NH3

    DOE PAGES

    Twagirayezu, Sylvestre; Hall, Gregory E.; Sears, Trevor J.

    2016-10-13

    Sub-Doppler, saturation dip, spectra of lines in the v1 + v3, v1 + 2v4 and v3 + 2v4 bands of 14NH3 have been measured by frequency comb-referenced diode laser absorption spectroscopy. The observed spectral line widths are dominated by transit time broadening, and show resolved or partially-resolved hyperfine splittings that are primarily determined by the 14N quadrupole coupling. Modeling of the observed line shapes based on the known hyperfine level structure of the ground state of the molecule shows that, in nearly all cases, the excited state level has hyperfine splittings similar to the same rotational level in the groundmore » state. The data provide accurate frequencies for the line positions and easily separate lines overlapped in Doppler-limited spectra. The observed hyperfine splittings can be used to make and confirm rotational assignments and ground state combination differences obtained from the measured frequencies are comparable in accuracy to those obtained from conventional microwave spectroscopy. Furthermore, several of the measured transitions do not show the quadrupole hyperfine splittings expected based on their existing rotational assignments. Either the assignments are incorrect or the upper levels involved are perturbed in a way that affects the nuclear hyperfine structure.« less

  6. Effect of Si/Al ratio on catalytic performance of hydrothermally aged Cu-SSZ-13 for the NH3-SCR of NO in simulated diesel exhaust

    NASA Astrophysics Data System (ADS)

    Han, Shuai; Cheng, Jin; Zheng, Changkun; Ye, Qing; Cheng, Shuiyuan; Kang, Tianfang; Dai, Hongxing

    2017-10-01

    The hydrothermal stability of the CuSSZ-13 samples with various Si/Al ratios was examined. The NO conversions in the NH3-SCR and NH3 oxidation were measured. Physicochemical properties of the samples were characterized by means of a number of analytical techniques. It is shown that the NH3-SCR activity and hydrothermal stability of the CuSSZ-13 samples decreased with the rise in Si/Al ratio. Such decreases were attributed to the drop in the amount of the isolated Cu2+ in the D6R and CHA cage of the CuSSZ-13 samples. Part of the isolated Cu2+ ions were transformed to CuO after hydrothermal aging treatment, especially in the high-Si/Al-ratio samples. A large amount of the aggregated CuO destroyed the skeleton structure of SSZ-13, leading to the deactivation of the samples.

  7. Performance Analysis of Rectifier in NH3-H2O Absorprtion Heat Pump

    NASA Astrophysics Data System (ADS)

    Tsujimori, Atsushi; Ozaki, Eiichi; Nakao, Kazushige

    Heat and mass transfer model for plate-type rectifier was presented in the previous paper and it was found that there existed the distribution of NH3 concentration in boundary layer in vapor and solution phase, which was the resistance to heat and mass transfer. In order to enhance heat and mass transfer, packed tower-type rectifiers have been considered effective and used in the field of chemical engineering. And many data have been accumulated for each rectification-packing with give fluid to design packed tower. But it has rarely be seen to present heat and mass transfer model in order to evaluate the performance of packed tower rectifier without any experimental constant. In this study heat and mass transfer model in packed tower-type rectifier was presented considering the specification of rectification-packing decided by surface area and porosity, and the calculation results were compared with experimental data. As a result it was found that over-all mass transfer coefficient increased as mass flow rate of vapor increased and that the model could expect over-all mass transfer coefficient within 30 [%] difference to experimental data. It was also cleared that mass transfer in packed-type rectifier was two to five times more enhanced than that in plate-type rectifier.

  8. Rotational dynamics of organic cations in the CH3NH3PbI3 perovskite.

    PubMed

    Chen, Tianran; Foley, Benjamin J; Ipek, Bahar; Tyagi, Madhusudan; Copley, John R D; Brown, Craig M; Choi, Joshua J; Lee, Seung-Hun

    2015-12-14

    Methylammonium lead iodide (CH3NH3PbI3) based solar cells have shown impressive power conversion efficiencies of above 20%. However, the microscopic mechanism of the high photovoltaic performance is yet to be fully understood. Particularly, the dynamics of CH3NH3(+) cations and their impact on relevant processes such as charge recombination and exciton dissociation are still poorly understood. Here, using elastic and quasi-elastic neutron scattering techniques and group theoretical analysis, we studied rotational modes of the CH3NH3(+) cation in CH3NH3PbI3. Our results show that, in the cubic (T > 327 K) and tetragonal (165 K < T < 327 K) phases, the CH3NH3(+) ions exhibit four-fold rotational symmetry of the C-N axis (C4) along with three-fold rotation around the C-N axis (C3), while in the orthorhombic phase (T < 165 K) only C3 rotation is present. At around room temperature, the characteristic relaxation times for the C4 rotation are found to be τC4 ≈ 5 ps while for the C3 rotation τC3 ≈ 1 ps. The T-dependent rotational relaxation times were fitted with Arrhenius equations to obtain activation energies. Our data show a close correlation between the C4 rotational mode and the temperature dependent dielectric permittivity. Our findings on the rotational dynamics of CH3NH3(+) and the associated dipole have important implications for understanding the low exciton binding energy and a slow charge recombination rate in CH3NH3PbI3 which are directly relevant for the high solar cell performance.

  9. Volatility of NH3 from internally mixed sodium succinate-NH4SO4 particles

    NASA Astrophysics Data System (ADS)

    Wang, Na; Zhang, Yunhong

    2016-04-01

    Contributing the complicacy of atmospheric constituents, aerosol particles may undergo complicated heterogeneous reactions that have profound consequences on their hygroscopic properties and volatility. Ammonia (NH3) is a ubiquitous trace atmospheric gas in the troposphere and has negative effects on human health and climate forcing of ambient aerosols. In addition, atmospheric cycle of NH3 is complex in atmosphere, therefore it necessary to get insights to the complexity of gas-to-aerosol NH3 partitioning, which results in large uncertainties in the sources and distributions of NH3. By using in-situ Fourier transform infrared spectroscopy and attenuated total reflection (FTIR-ATR), we report here the volatility of NH3 from the laboratory generated sodium succinate with ammonium sulfate ((NH4)2SO4) at a 1:1 molar ratio as well as its effect on the hygroscopicity of the mixtures. The loss of the NH4+ peak at 1451cm-1 and the formation of peaks at 1718 and 1134 cm-1 due to C = O stretching asymmetric vibration of -COOH and ν3 (SO42-) stretching of sodium sulfate indicate that sodium succinate reacts with (NH4)2SO4, releasing NH3 and forming succinic acid and sodium sulfate on dehydration process. The formation of less hygroscopic succinic acid and volatility of NH3 in mixtures leads to a significant decrease in the total water content. To the best of our knowledge, this is the first report of the reaction between (NH4)2SO4 and dicarboxylate salts, which may represent an important particle-gas partitioning for ammonia and thus elucidate another underlying ammonia cycle in atmosphere. These results could be helpful to understand the mutual transformation process of dicarboxylic acids and dicarboxylate salts.

  10. Human SLC4A11 Is a Novel NH3/H+ Co-transporter*

    PubMed Central

    Zhang, Wenlin; Ogando, Diego G.; Bonanno, Joseph A.; Obukhov, Alexander G.

    2015-01-01

    SLC4A11 has been proposed to be an electrogenic membrane transporter, permeable to Na+, H+ (OH−), bicarbonate, borate, and NH4+. Recent studies indicate, however, that neither bicarbonate or borate is a substrate. Here, we examined potential NH4+, Na+, and H+ contributions to electrogenic ion transport through SLC4A11 stably expressed in Na+/H+ exchanger-deficient PS120 fibroblasts. Inward currents observed during exposure to NH4Cl were determined by the [NH3]o, not [NH4+]o, and current amplitudes varied with the [H+] gradient. These currents were relatively unaffected by removal of Na+, K+, or Cl− from the bath but could be reduced by inclusion of NH4Cl in the pipette solution. Bath pH changes alone did not generate significant currents through SLC4A11, except immediately following exposure to NH4Cl. Reversal potential shifts in response to changing [NH3]o and pHo suggested an NH3/H+-coupled transport mode for SLC4A11. Proton flux through SLC4A11 in the absence of ammonia was relatively small, suggesting that ammonia transport is of more physiological relevance. Methylammonia produced currents similar to NH3 but with reduced amplitude. Estimated stoichiometry of SLC4A11 transport was 1:2 (NH3/H+). NH3-dependent currents were insensitive to 10 μm ethyl-isopropyl amiloride or 100 μm 4,4′- diisothiocyanatostilbene-2,2′-disulfonic acid. We propose that SLC4A11 is an NH3/2H+ co-transporter exhibiting unique characteristics. PMID:26018076

  11. Abnormal variation of the growth rate under high NH3 injected regime in the growth of GaN by NH3-source MBE

    NASA Astrophysics Data System (ADS)

    Choi, Sungkuk; Jung, Soohoon; Cho, Youngji; Lee, Sangtae; Chang, Jiho

    2017-03-01

    Unusual growth-rate variation during GaN formation using gas-source MBE has been discussed with respect to the chemical reactions occurring in the transition layer. A series of samples were prepared to confirm the assumption by verifying the growth regime and the impacts on the crystal quality of the GaN film. We found that the growth rate can be varied along with the amount of NH3 supply even under NH3-rich condition with a fixed Ga flux. Two growth conditions were investigated for their impact on the transition layer. One was the atomic force microscopy result, which revealed that the adatom migration length is closely related to the transition layer formation. The other one is the photoluminescent spectra, which revealed that the luminescence property of GaN is strongly related to the transition layer.

  12. New mechanism for the vibrational mode-specific proton-transfer reaction NH 3+ (ν) + NH 3 → NH 2 + NH 4+

    NASA Astrophysics Data System (ADS)

    Tachibana, Akitomo; Suzuki, Tetsuo; Yoshida, Naoto; Teramoto, Yasuhiro; Yamabe, Tokio

    1991-09-01

    A new mechanism has been presented for the vibrational mode-specific depression of the proton-transfer reaction NH 3+ (ν) + NH 3 → NH 2 + NH 4+. We adopt the standpoint of the ADO (average dipole orientation) theory, proposed by Su and Bowers (J. Chem. Phys. 58 (1973) 3027), and append a new long-range interaction created by a vibration-induced dipole to the ADO theory. A "reaction zone" concept is crucial in this approach; outside of the zone the long-range intermolecular interactions play a key role. A qualitatively good agreement is observed for the experimental result of the title reaction obtained by Chupka and Russel (J. Chem. Phys. 48 (1968) 1527).

  13. Selective catalytic reduction operation with heavy fuel oil: NOx, NH3, and particle emissions.

    PubMed

    Lehtoranta, Kati; Vesala, Hannu; Koponen, Päivi; Korhonen, Satu

    2015-04-07

    To meet stringent NOx emission limits, selective catalytic reduction (SCR) is increasingly utilized in ships, likely also in combination with low-priced higher sulfur level fuels. In this study, the performance of SCR was studied by utilizing NOx, NH3, and particle measurements. Urea decomposition was studied with ammonia and isocyanic acid measurements and was found to be more effective with heavy fuel oil (HFO) than with light fuel oil. This is suggested to be explained by the metals found in HFO contributing to metal oxide particles catalyzing the hydrolysis reaction prior to SCR. At the exhaust temperature of 340 °C NOx reduction was 85-90%, while at lower temperatures the efficiency decreased. By increasing the catalyst loading, the low temperature behavior of the SCR was enhanced. The drawback of this, however, was the tendency of particle emissions (sulfate) to increase at higher temperatures with higher loaded catalysts. The particle size distribution results showed high amounts of nanoparticles (in 25-30 nm size), the formation of which SCR either increased or decreased. The findings of this work provide a better understanding of the usage of SCR in combination with a higher sulfur level fuel and also of ship particle emissions, which are a growing concern.

  14. Giant Rashba Splitting in CH3NH3PbBr3 Organic-Inorganic Perovskite

    NASA Astrophysics Data System (ADS)

    Niesner, Daniel; Wilhelm, Max; Levchuk, Ievgen; Osvet, Andres; Shrestha, Shreetu; Batentschuk, Miroslaw; Brabec, Christoph; Fauster, Thomas

    2016-09-01

    As they combine decent mobilities with extremely long carrier lifetimes, organic-inorganic perovskites open a whole new field in optoelectronics. Measurements of their underlying electronic structure, however, are still lacking. Using angle-resolved photoelectron spectroscopy, we measure the valence band dispersion of single-crystal CH3NH3PbBr3. The dispersion of the highest energy band is extracted applying a modified leading edge method, which accounts for the particular density of states of organic-inorganic perovskites. The surface Brillouin zone is consistent with bulk-terminated surfaces both in the low-temperature orthorhombic and the high-temperature cubic phase. In the low-temperature phase, we find a ring-shaped valence band maximum with a radius of 0.043 Å-1 , centered around a 0.16 eV deep local minimum in the dispersion of the valence band at the high-symmetry point. Intense circular dichroism is observed. This dispersion is the result of strong spin-orbit coupling. Spin-orbit coupling is also present in the room-temperature phase. The coupling strength is one of the largest ones reported so far.

  15. Thermodynamics of the formation of sulfuric acid dimers in the binary (H2SO4-H2O) and ternary (H2SO4-H2O-NH3) system

    NASA Astrophysics Data System (ADS)

    Kürten, A.; Münch, S.; Rondo, L.; Bianchi, F.; Duplissy, J.; Jokinen, T.; Junninen, H.; Sarnela, N.; Schobesberger, S.; Simon, M.; Sipilä, M.; Almeida, J.; Amorim, A.; Dommen, J.; Donahue, N. M.; Dunne, E. M.; Flagan, R. C.; Franchin, A.; Kirkby, J.; Kupc, A.; Makhmutov, V.; Petäjä, T.; Praplan, A. P.; Riccobono, F.; Steiner, G.; Tomé, A.; Tsagkogeorgas, G.; Wagner, P. E.; Wimmer, D.; Baltensperger, U.; Kulmala, M.; Worsnop, D. R.; Curtius, J.

    2015-09-01

    Sulfuric acid is an important gas influencing atmospheric new particle formation (NPF). Both the binary (H2SO4-H2O) system and the ternary system involving ammonia (H2SO4-H2O-NH3) may be important in the free troposphere. An essential step in the nucleation of aerosol particles from gas-phase precursors is the formation of a dimer, so an understanding of the thermodynamics of dimer formation over a wide range of atmospheric conditions is essential to describe NPF. We have used the CLOUD chamber to conduct nucleation experiments for these systems at temperatures from 208 to 248 K. Neutral monomer and dimer concentrations of sulfuric acid were measured using a chemical ionization mass spectrometer (CIMS). From these measurements, dimer evaporation rates in the binary system were derived for temperatures of 208 and 223 K. We compare these results to literature data from a previous study that was conducted at higher temperatures but is in good agreement with the present study. For the ternary system the formation of H2SO4·NH3 is very likely an essential step in the formation of sulfuric acid dimers, which were measured at 210, 223, and 248 K. We estimate the thermodynamic properties (dH and dS) of the H2SO4·NH3 cluster using a simple heuristic model and the measured data. Furthermore, we report the first measurements of large neutral sulfuric acid clusters containing as many as 10 sulfuric acid molecules for the binary system using chemical ionization-atmospheric pressure interface time-of-flight (CI-APi-TOF) mass spectrometry.

  16. Computed tomographic measurement of canine urine concentration.

    PubMed

    Zwingenberger, Allison L; Carrade Holt, Danielle D

    2017-02-01

    Computed tomography (CT) is able to measure the attenuation of urine in Hounsfield units (HU) on abdominal imaging studies. This study was designed to measure the correlation of urine attenuation with urine specific gravity in urine samples of 40 dogs, providing a noninvasive measure of urine concentration. The HU of urine explained 72% of the variance in measured urine specific gravity [R(2) = 0.72, F(1,38) = 95.55, P < 0.001]. This noninvasive measurement can be used to estimate urine concentration in dogs undergoing abdominal CT imaging.

  17. Photoelectric characteristics of CH3NH3PbI3/p-Si heterojunction

    NASA Astrophysics Data System (ADS)

    Yamei, Wu; Ruixia, Yang; Hanmin, Tian; Shuai, Chen

    2016-05-01

    Organic-inorganic hybrid perovskite CH3NH3PbI3 film is prepared on p-type silicon substrate using the one-step solution method to form a CH3NH3PbI3/p-Si heterojunction. The film morphology and structure are characterized by atomic force microscopy (AFM) and scanning electron microscopy (SEM). The photoelectric properties of the CH3NH3PbI3/p-Si heterojunction are studied by testing the current-voltage (I-V) with and without illumination and capacitance-voltage (C-V) characteristics. It turns out from the I-V curve without illumination that the CH3NH3PbI3/p-Si heterojunction has a rectifier feature with the rectification ratio over 70 at the bias of ±5 V. Also, there appears a photoelectric conversion phenomenon on this heterojunction with a short circuit current (Isc) of 0.16 μA and an open circuit voltage (Voc) of about 10 mV The high frequency C-V characteristic of the Ag/CH3NH3PbI3/p-Si heterojunction turns out to be similar to that of the metal-insulator-semiconductor (MIS) structure, and a parallel translation of the C-V curve along the forward voltage axis is found. This parallel translation means the existence of defects at the CH3NH3PbI3/p-Si interface and positive fixed charges in the CH3NH3PbI3 layer. The defects at the interface of the CH3NH3PbI3/p-Si heterojunction result in the dramatic decline of the Voc. Besides, the C-V test of CH3NH3PbI3 film shows a non-linear dielectric property and the dielectric value is about 4.64 as calculated. Project supported by the Hebei Province Natural Science Foundation of China (No. F2014202184) and the Tianjin Natural Science Foundation of China (No. 15JCZDJC37800).

  18. Serum ionised calcium concentration: measurement versus calculation.

    PubMed Central

    Conceicao, S C; Weightman, D; Smith, P A; Luno, J; Ward, M K; Kerr, D N

    1978-01-01

    Four hundred and eighteen measurements of serum ionised calcium, total calcium, and protein concentrations were made from 47 normal volunteers, 104 patients with chronic renal failure (33 being treated conservatively and 71 with regular haemodialysis), and 83 renal transplant recipients. The serum ionised calcium concentration was measured with an Orion SS-20 meter and calculated from the total serum calcium and protein concentrations by using three formulae and a nomogram. In the normal subjects and patients undergoing regular haemodialysis, whose serum calcium concentrations were in or near the normal range, three of the calculations gave results similar to those obtained by direct measurement. In patients with conservatively treated chronic renal failure and those who had received renal transplants, however, there was poor aggrement between the methods. When patients with hypercalcaemia and hypocalcaemia from all the groups were considered separately there was again poor agreement between calculated and measured concentrations of serum ionised calcium. Of the patients whose measured concentrations of serum ionised calcium were high, 69-76% were classified as normal by the four indirect methods. We conclude that calculation of the serum ionised calcium concentrations is not an adequate substitute for direct measurement. PMID:346162

  19. Highly Sensitive Flexible NH3 Sensors Based on Printed Organic Transistors with Fluorinated Conjugated Polymers.

    PubMed

    Nketia-Yawson, Benjamin; Jung, A-Ra; Noh, Yohan; Ryu, Gi-Seong; Tabi, Grace Dansoa; Lee, Kyung-Koo; Kim, BongSoo; Noh, Yong-Young

    2017-03-01

    Understanding the sensing mechanism in organic chemical sensors is essential for improving the sensing performance such as detection limit, sensitivity, and other response/recovery time, selectivity, and reversibility for real applications. Here, we report a highly sensitive printed ammonia (NH3) gas sensor based on organic thin film transistors (OTFTs) with fluorinated difluorobenzothiadiazole-dithienosilole polymer (PDFDT). These sensors detected NH3 down to 1 ppm with high sensitivity (up to 56%) using bar-coated ultrathin (<4 nm) PDFDT layers without using any receptor additives. The sensing mechanism was confirmed by cyclic voltammetry, hydrogen/fluorine nuclear magnetic resonance, and UV/visible absorption spectroscopy. PDFDT-NH3 interactions comprise hydrogen bonds and electrostatic interactions between the PDFDT polymer backbone and NH3 gas molecules, thus lowering the highest occupied molecular orbital levels, leading to hole trapping in the OTFT sensors. Additionally, density functional theory calculations show that gaseous NH3 molecules are captured via cooperation of fluorine atoms and dithienosilole units in PDFDT. We verified that incorporation of functional groups that interact with a specific gas molecule in a conjugated polymer is a promising strategy for producing high-performance printed OTFT gas sensors.

  20. Electric polarization of CH3NH3PbI3 and enhancement by Cl substitution

    NASA Astrophysics Data System (ADS)

    Yan, Wen-Li; Lu, Guang-Hong; Liu, Feng

    As a prototype of organic-inorganic hybrid perovskite, CH3NH3PbI3 has attracted extensive attention recently due to its applications in high power-conversion-efficiency solar cells. In comparison with its inorganic perovskite counterparts such as CsPbI3, the organic cation CH3NH3+ is expected to play multiple important roles in distorting crystal structures and thus band structures as well as creating local electrically polarized domains to help separate charge carriers. Using first-principles method and berry phase theory, the electric polarization vectors of CH3NH3PbI3 have been calculated. The off-center displacement of Pb within the PbI6 octahedral is shown to introduce major intrinsic polarization, with additional contributions from off-center displacement of CH3NH3+ within PbI3 cage and charge polarization within the organic cation. With chlorine substitution of iodine, the electronegativity difference between halogen and Pb becomes larger, and the lattice distortion and hence the electric polarization increases, which provides a possible mechanism to further assist charge carrier separation in solar cell devices. This is consistent with enhanced photovoltaics properties of CH3NH3PbI3-xClx found in recent experiments. This work is supported by China Scholarship Council (Grant No. 201306020117) and US DOE-BES (Grant No. DE-FG02-04ER46148).

  1. Laboratory Spectral Studies of NH3 Ice Mixtures Relevant to Astrophysical Environments

    NASA Astrophysics Data System (ADS)

    White, Douglas; Mastrapa, R. M. E.; Gerakines, P. A.; Sandford, S. A.

    2012-05-01

    Small quantities of NH3 have been detected in interstellar environments such as icy grain mantles and cometary environments via infrared (IR) absorption spectroscopy in the range λ = 0.9-25 μm (e.g., Hagen et al., 1980; Crovisier, 1997; Lacy et al., 1998). In our presentation, we will describe spectral studies of some H2O-dominated ice mixtures containing small amounts (≤10%) of NH3. We also present spectral data collected at the University of Alabama at Birmingham Astrophysics Laboratory of H2O-dominated ice mixtures containing NH3 (White 2010). Positions and profiles of absorption features of NH3 are noted according to temperature and mixture, along with the profiles of H2O. Mixtures with other species such as CO2 are also investigated. These results may then be used to identify IR spectral signatures from NH3 and other species from observational data from ground- and space-based observatories. Crovisier, J. 1997, Earth Moon and Planets, 79, 125 Hagen, W., Allamandola, L. J., & Greenberg, J. M. 1980, A&A, 86, L3 Lacy, J. H., Faraji, H., Sandford, S. A., & Allamandola, L. J. 1998, The Astrophysical Journal Letters, 501, L105 White, D. W. 2010, PhD thesis, University of Alabama at Birmingham

  2. Exceptional emissions of NH3 and HCOOH in the 2010 Russian wildfires

    NASA Astrophysics Data System (ADS)

    R'Honi, Y.; Clarisse, L.; Clerbaux, C.; Hurtmans, D.; Duflot, V.; Turquety, S.; Ngadi, Y.; Coheur, P.-F.

    2013-04-01

    In July 2010, several hundred forest and peat fires broke out across central Russia during its hottest summer on record. Here, we analyze these wildfires using observations of the Infrared Atmospheric Sounding Interferometer (IASI). Carbon monoxide (CO), ammonia (NH3) and formic acid (HCOOH) total columns are presented for the year 2010. Maximum total columns were found to be one order (for CO and HCOOH) and two orders (for NH3) of magnitude larger than typical background values. The temporal evolution of NH3 and HCOOH enhancement ratios relative to CO are presented. Evidence of secondary formation of HCOOH is found, with enhancement ratios exceeding reported emission ratios in fresh plumes. We estimate the total emitted masses for the period July-August 2010 over the center of western Russia; they are 19-33 Tg (CO), 0.7-2.6 Tg (NH3) and 0.9-3.9 Tg (HCOOH). For NH3 and HCOOH, these quantities are comparable to what is emitted in the course of a whole year by all extratropical forest fires.

  3. Exceptional emissions of NH3 and HCOOH in the 2010 Russian wildfires

    NASA Astrophysics Data System (ADS)

    R'Honi, Y.; Clarisse, L.; Clerbaux, C.; Hurtmans, D.; Duflot, V.; Turquety, S.; Ngadi, Y.; Coheur, P.-F.

    2012-12-01

    In July 2010, several hundred forest and peat fires broke out across Central Russia during its hottest summer on record. Here, we analyze these wildfires using observations of the Infrared Atmospheric Sounding Interferometer (IASI). Carbon monoxide (CO), ammonia (NH3) and formic acid (HCOOH) total columns are presented for the year 2010. Maximum total columns have been observed reaching over 40 (for CO and HCOOH) and 200 (for NH3) times higher than typical background values. The temporal evolution of NH3 and HCOOH enhancement ratios relative to CO are presented. Strong evidence of secondary formation of HCOOH is found, with enhancement ratios exceeding 10 times reported emission ratios in fresh plumes. We estimate the total emitted masses for the period July-August 2010 over the center of Western Russia; they are 19-33 Tg (CO), 0.7-2.6 Tg (NH3) and 0.9-3.9 Tg (HCOOH). For NH3 andHCOOH, these quantities are comparable to what is emitted in the course of a whole year by all extratropical forest fires.

  4. NH3/O2 mixed gas plasmas alter the interaction of blood components with stainless steel.

    PubMed

    Chen, Meng; Zamora, Paul O; Peña, Louis; Som, Prantika; Osaki, Shigemasa

    2003-12-01

    Stainless steel treated with a mixed gas plasma of NH(3) plus O(2) had chemical and biologic characteristics distinct from untreated stainless steel or stainless steel treated with NH(3) or O(2) plasmas used separately. NH(3)/O(2) plasmas deposited nitrogen as both -CN (organic) and -NO (nitrate, nitrite)--materials not found on untreated stainless steel--and the contact angle changed from 44 degrees to 23 degrees. Treatment of stainless steel (and titanium) resulted in surfaces with enhanced resistance to platelet and leukocyte attachment. A gas plasma of N(2)O/O(2) also was found to reduce platelet and leukocyte attachment, suggesting that these properties may be common to surfaces coated with oxynitrites (nitrides). Upon subcutaneous implantation, no inflammation, hemolysis, or untoward thrombosis was noted in the tissue surrounding the wafers treated with the NH(3)/O(2) plasmas, although the cellular density was considerably reduced by 2 weeks after implant. Collectively, the results suggest that NH(3)/O(2) plasmas impart a unique character to stainless steel that may be useful in the construction of medical devices.

  5. Ferroelectricity of CH3NH3PbI3 Perovskite.

    PubMed

    Fan, Zhen; Xiao, Juanxiu; Sun, Kuan; Chen, Lei; Hu, Yating; Ouyang, Jianyong; Ong, Khuong P; Zeng, Kaiyang; Wang, John

    2015-04-02

    Ferroelectricity has been believed to be an important but controversial origin of the excellent photovoltaic performance of organometal trihalide perovskites (OTPs). Here we investigate the ferroelectricity of a prototype OTP, CH3NH3PbI3 (MAPbI3), both theoretically and experimentally. Our first-principles calculations based on 3-D periodic boundary conditions reveal that a ferroelectric structure with polarization of ∼8 μC/cm(2) is the globally stable one among all possible tetragonal structures; however, experimentally no room-temperature ferroelectricity is observed by using polarization-electric field hysteresis measurements and piezoresponse force microscopy. The discrepancy between our theoretical and experimental results is attributed to the dynamic orientational disorder of MA(+) groups and the semiconducting nature of MAPbI3 at room temperature. Therefore, we conclude that MAPbI3 is not ferroelectric at room temperature; however, it is possible to induce and experimentally observe apparent ferroelectric behavior through our proposed ways. Our results clarify the controversy of the ferroelectricity in MAPbI3 and also provide valuable guidance for future studies on this active topic.

  6. Molecular Structure and Dynamics in the Low Temperature (Orthorhombic) Phase of NH3BH3

    SciTech Connect

    Cho, Herman M.; Shaw, Wendy J.; Parvanov, Venci M.; Schenter, Gregory K.; Karkamkar, Abhijeet J.; Hess, Nancy J.; Mundy, Christopher J.; Kathmann, Shawn M.; Sears, Jesse A.; Lipton, Andrew S.; Ellis, Paul D.; Autrey, Thomas

    2008-05-08

    Variable temperature 2H NMR experiments on the orthorhombic phase of selectively deuterated NH3BH3 spanning the static to fast exchange limits of the borane and amine motions are reported. New values of the electric field gradient (EFG) tensor parameters have been obtained from the static 2H spectra of Vzz = 5.509(±0.275)×1014 statvolt/cm2 and ! = 0.00±0.05 for the borane hydrogens and Vzz = 9.615(±0.481)×1014 statvolt/cm2 and ! = 0.00±0.05 for the amine hydrogens. The molecular symmetry inferred from the observation of equal EFG tensors for both the boron and amine hydrogens is in sharp contrast with the Cs symmetry derived from diffraction studies. The origin of the apparent discrepancy has been investigated using molecular dynamics methods in combination with electronic structure calculations of NMR parameters, bond lengths, and bond angles. The computation of parameters from a statistical ensemble rather than from a single set of atomic Cartesian coordinates gives values that are in close quantitative agreement with the 2H NMR electric field gradient tensor measurements and are more consistent with the molecular symmetry revealed by the NMR spectra. This work was supported by the U.S. Department of Energy's (DOE) Office of Basic Energy Sciences, Chemical Sciences program. The Pacific Northwest National Laboratory is operated by Battelle for DOE.

  7. The efficiency limit of CH3NH3PbI3 perovskite solar cells

    NASA Astrophysics Data System (ADS)

    Sha, Wei E. I.; Ren, Xingang; Chen, Luzhou; Choy, Wallace C. H.

    2015-06-01

    With the consideration of photon recycling effect, the efficiency limit of methylammonium lead iodide (CH3NH3PbI3) perovskite solar cells is predicted by a detailed balance model. To obtain convincing predictions, both AM 1.5 spectrum of Sun and experimentally measured complex refractive index of perovskite material are employed in the detailed balance model. The roles of light trapping and angular restriction in improving the maximal output power of thin-film perovskite solar cells are also clarified. The efficiency limit of perovskite cells (without the angular restriction) is about 31%, which approaches to Shockley-Queisser limit (33%) achievable by gallium arsenide (GaAs) cells. Moreover, the Shockley-Queisser limit could be reached with a 200 nm-thick perovskite solar cell, through integrating a wavelength-dependent angular-restriction design with a textured light-trapping structure. Additionally, the influence of the trap-assisted nonradiative recombination on the device efficiency is investigated. The work is fundamentally important to high-performance perovskite photovoltaics.

  8. Pressure-induced metallization of the halide perovskite (CH3NH3)PbI3

    DOE PAGES

    Jaffe, Adam; Lin, Yu; Mao, Wendy L.; ...

    2017-03-14

    We report the metallization of the hybrid perovskite semiconductor (MA)PbI3 (MA = CH3NH3+) with no apparent structural transition. We tracked its bandgap evolution during compression in diamond-anvil cells using absorption spectroscopy and observed strong absorption over both visible and IR wavelengths at pressures above ca. 56 GPa, suggesting the imminent closure of its optical bandgap. The metallic character of (MA)PbI3 above 60 GPa was confirmed using both IR reflectivity and variable-temperature dc conductivity measurements. The impressive semiconductor properties of halide perovskites have recently been exploited in a multitude of optoelectronic applications. Meanwhile, the study of metallic properties in oxide perovskitesmore » has revealed diverse electronic phenomena. Importantly, the mild synthetic routes to halide perovskites and the templating effects of the organic cations allow for fine structural control of the inorganic lattice. Lastly, pressure-induced closure of the 1.6 eV bandgap in (MA)PbI3 demonstrates the promise of the continued study of halide perovskites under a range of thermodynamic conditions, toward realizing wholly new electronic properties.« less

  9. Mechanical signatures of degradation of the photovoltaic perovskite CH3NH3PbI3 upon water vapor exposure

    NASA Astrophysics Data System (ADS)

    Spina, Massimo; Karimi, Ayat; Andreoni, Wanda; Pignedoli, Carlo A.; Náfrádi, Bálint; Forró, László; Horváth, Endre

    2017-03-01

    We report on the mechanical properties of CH3NH3PbI3 photovoltaic perovskite measured by nanoindentation. The Young's modulus (E) of the pristine sample is 20.0 ± 1.5 GPa, while the hardness (H) is 1.0 ± 0.1 GPa. Upon extended exposure to water vapor, both quantities decrease dramatically and the sample changes color from silver-black to yellow. Calculations based on density functional theory support this trend in the mechanical response. Chemical treatment of the degraded crystal in methylammonium iodide solution recovers the color of the pristine sample and the values of E and H within 50%.

  10. CH3NH3PbI3 perovskite/fullerene planar-heterojunction hybrid solar cells.

    PubMed

    Jeng, Jun-Yuan; Chiang, Yi-Fang; Lee, Mu-Huan; Peng, Shin-Rung; Guo, Tzung-Fang; Chen, Peter; Wen, Ten-Chin

    2013-07-19

    All-solid-state donor/acceptor planar-heterojunction (PHJ) hybrid solar cells are constructed and their excellent performance measured. The deposition of a thin C60 fullerene or fullerene-derivative (acceptor) layer in vacuum on a CH3 NH3 PbI3 perovskite (donor) layer creates a hybrid PHJ that displays the photovoltaic effect. Such heterojunctions are shown to be suitable for the development of newly structured, hybrid, efficient solar cells. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  11. Measuring surfactant concentration in plating solutions

    DOEpatents

    Bonivert, William D.; Farmer, Joseph C.; Hachman, John T.

    1989-01-01

    An arrangement for measuring the concentration of surfactants in a electrolyte containing metal ions includes applying a DC bias voltage and a modulated voltage to a counter electrode. The phase angle between the modulated voltage and the current response to the modulated voltage at a working electrode is correlated to the surfactant concentration.

  12. Determining the storage, availability and reactivity of NH3 within Cu-Chabazite-based Ammonia Selective Catalytic Reduction systems.

    PubMed

    Lezcano-Gonzalez, I; Deka, U; Arstad, B; Van Yperen-De Deyne, A; Hemelsoet, K; Waroquier, M; Van Speybroeck, V; Weckhuysen, B M; Beale, A M

    2014-01-28

    Three different types of NH3 species can be simultaneously present on Cu(2+)-exchanged CHA-type zeolites, commonly used in Ammonia Selective Catalytic Reduction (NH3-SCR) systems. These include ammonium ions (NH4(+)), formed on the Brønsted acid sites, [Cu(NH3)4](2+) complexes, resulting from NH3 coordination with the Cu(2+) Lewis sites, and NH3 adsorbed on extra-framework Al (EFAl) species, in contrast to the only two reacting NH3 species recently reported on Cu-SSZ-13 zeolite. The NH4(+) ions react very slowly in comparison to NH3 coordinated to Cu(2+) ions and are likely to contribute little to the standard NH3-SCR process, with the Brønsted groups acting primarily as NH3 storage sites. The availability/reactivity of NH4(+) ions can be however, notably improved by submitting the zeolite to repeated exchanges with Cu(2+), accompanied by a remarkable enhancement in the low temperature activity. Moreover, the presence of EFAl species could also have a positive influence on the reaction rate of the available NH4(+) ions. These results have important implications for NH3 storage and availability in Cu-Chabazite-based NH3-SCR systems.

  13. DFT insights into the adsorption of NH3-SCR related small gases in Mn-MOF-74.

    PubMed

    Zhang, Minhua; Huang, Xuewei; Chen, Yifei

    2016-10-19

    Mn-MOF-74 has great potential to catalyze selective catalytic reduction (SCR) reaction with NH3 being the reductant (NH3-SCR). However, the reaction mechanism, in particular the adsorptive properties of key reactive species in Mn-MOF-74, remains ambiguous. Besides, the effects of impurities such as H2O and SO2 on the process need further investigation. In this paper, based on density functional theory (DFT) calculations, we studied the adsorption characteristics of six NH3-SCR related small gases, namely NH3, NO2, NO, O2, H2O and SO2. DFT results show that the Mn-MOF-74 structure can bind these molecules relatively strongly in the following order: NH3 > NO2 > NO > O2, allowing for subsequent NH3-SCR reaction. In addition, a possible pathway of NO conversion to NO2 was calculated. Investigation on competitive adsorption of NH3 and H2O, NH3 and SO2 reveals that both H2O and SO2 are probable to replace NH3 under certain conditions, indicating that the two impurity gases may affect the activity of the NH3-SCR reaction. Compared with H2O, SO2 can displace NH3 more easily and should not be neglected.

  14. Low-temperature SCR of NO with NH3 over activated semi-coke composite-supported rare earth oxides

    NASA Astrophysics Data System (ADS)

    Wang, Jinping; Yan, Zheng; Liu, Lili; Zhang, Yingyi; Zhang, Zuotai; Wang, Xidong

    2014-08-01

    The catalysts with different rare earth oxides (La, Ce, Pr and Nd) loaded onto activated semi-coke (ASC) via hydrothermal method are prepared for the selective catalytic reduction (SCR) of NO with NH3 at low temperature (150-300 °C). It is evidenced that CeO2 loaded catalysts present the best performance, and the optimum loading amount of CeO2 is about 10 wt%. Composite catalysts by doping La, Pr and Nd into CeO2 are prepared to obtain further improved catalytic properties. The SCR mechanism is investigated through various characterizations, including XRD, Raman, XPS and FT-IR, the results of which indicate that the oxygen defect plays an important role in SCR process and the doped rare earth elements effectively serve as promoters to increase the concentration of oxygen vacancies. It is also found that the oxygen vacancies in high concentration are favored for the adsorption of O2 and further oxidation of NO, which facilitates a rapid progressing of the following reduction reactions. The SCR process of NO with NH3 at low temperature over the catalysts of ASC composite-supported rare earth oxides mainly follows the Langmuir-Hinshlwood mechanism.

  15. Strong covalency-induced recombination centers in perovskite solar cell material CH3NH3PbI3.

    PubMed

    Agiorgousis, Michael L; Sun, Yi-Yang; Zeng, Hao; Zhang, Shengbai

    2014-10-15

    Inorganic-organic hybrid perovskites are a new family of solar cell materials, which have recently been used to make solar cells with efficiency approaching 20%. Here, we report the unique defect chemistry of the prototype material, CH3NH3PbI3, based on first-principles calculation. We found that both the Pb cations and I anions in this material exhibit strong covalency as characterized by the formation of Pb dimers and I trimers with strong covalent bonds at some of the intrinsic defects. The Pb dimers and I trimers are only stabilized in a particular charge state with significantly lowered energy, which leads to deep charge-state transition levels within the band gap, in contradiction to a recent proposal that this system has only shallow intrinsic defects. Our results show that, in order to prevent the deep-level defects from being effective recombination centers, the equilibrium carrier concentrations should be controlled so that the Fermi energy is about 0.3 eV away from the band edges. Beyond this range, according to a Shockley-Read-Hall analysis, the non-equilibrium carrier lifetime will be strongly affected by the concentration of I vacancies and the anti-site defects with I occupying a CH3NH3 site.

  16. Using stable isotopes of reactive N in dry and wet deposition to investigate the source, transport, and fate of NOx and NH3

    NASA Astrophysics Data System (ADS)

    Felix, J.; Elliott, E. M.

    2011-12-01

    Reactive N emissions (NH3 and NOx) can reach the land surfaces via both wet (NH4+, NO3) and dry (NOx, HNO3, NH3, NH4+) depositional processes. Together, these reactive N compounds are important global contributors to air and water quality degradation. Although nitrate concentrations in wet deposition have decreased in the U.S. during the last two decades due to NOx emission regulations set forth by the Clean Air Act, ammonium concentrations in wet deposition have recently increased. In order to further decrease NOx emissions and decrease NH3 emissions, additional tools for reactive N source apportionment are essential. The stable isotopic composition of reactive N may be one such tool for characterizing source, transport, and fate of reactive N emissions. Here, we present results from a comprehensive inventory of the isotopic composition of reactive N emission sources, focusing mainly on agricultural and fossil fuel sources. We build on these inventory results by tracing reactive N emissions across multiple landscapes including: a dairy operation, a conventionally managed cornfield, a tallgrass prairie, and a concentrated animal feeding operation. We then use two examples to illustrate how reactive N isotopes can be used in a regional context. First, we illustrate how passive NH3 samplers deployed at nine U.S. monitoring sites reflect spatial variations in predominant NH3 sources. Secondly, we reconstruct the regional influence of agricultural NOx emissions to nitrate deposition recorded in an ice core from Summit, Greenland. These results reveal significant evidence that the trend in the N isotopic composition of 20th century nitrate deposition in Greenland was driven by increasing biogenic soil NOx emissions induced by fertilizer application in the US over the last century. Together, these studies demonstrate the isotopic composition of reactive N emissions can be an additional tool for investigators to source and trace reactive N emissions in both historical and

  17. Nonlinear optical measurements of glucose concentration

    NASA Astrophysics Data System (ADS)

    Yakovlev, V. V.

    2008-02-01

    Diabetes mellitus is a metabolic disease that currently affects about 7% of the US population, or roughly about 20 million people. Effectively controlling diabetes requires regular measurements of the blood sugar levels to ensure the one time insulin injection when the concentration of glucose reaches a critical level. In this report, nonlinear Raman microspectroscopy is demonstrated to be a promising new way of continuous and noninvasive way of measuring the glucose concentration.

  18. NH3 molecular doping of silicon nanowires grown along the [112], [110], [001], and [111] orientations

    PubMed Central

    2012-01-01

    The possibility that an adsorbed molecule could provide shallow electronic states that could be thermally excited has received less attention than substitutional impurities and could potentially have a high impact in the doping of silicon nanowires (SiNWs). We show that molecular-based ex-situ doping, where NH3 is adsorbed at the sidewall of the SiNW, can be an alternative path to n-type doping. By means of first-principle electronic structure calculations, we show that NH3 is a shallow donor regardless of the growth orientation of the SiNWs. Also, we discuss quantum confinement and its relation with the depth of the NH3 doping state, showing that the widening of the bandgap makes the molecular donor level deeper, thus more difficult to activate. PMID:22709657

  19. VizieR Online Data Catalog: NH3 Odin observations towards Sgr A (Sandqvist+,

    NASA Astrophysics Data System (ADS)

    Sandqvist, Aa.; Hjalmarson, A.; Frisk, U.; Lundin, S.; Nordh, L.; Olberg, M.; Olofsson, G.

    2017-02-01

    50nh3cds.fit (Fig. 1 in paper). Odin observations of the 572GHz NH3 line towards the Sgr A +50km/s Cloud (J2000.0 17:45:51.7, -28:59:09the channel resolution is 1.6km/s. cndnh3cd.fit (Fig. 2 in paper). Odin observations of the 572GHz NH3 line towards the south-western part of the Sgr A Circumnuclear Disk (J2000.0 17:45:39.7, -29:01:18); the channel resolution is 1.6km/s. cndh218o.fit (Fig. 3 in paper). Odin observations of the 548GHz H218O line towards the southwestern part of the Sgr A Circumnuclear Disk (J2000.0 17:45:39.7, -29:01:18); the channel resolution is 3km/s. (2 data files).

  20. Insertion Compounds of 2H-TaS2·NH3

    PubMed Central

    Meyer, S. F.; Acrivos, J. V.; Geballe, T. H.

    1975-01-01

    A new method of intercalating metals into layer compounds has been developed using electrolytic generation from the salt solution in ammonia. The results suggest that metals that are soluble in ammonia will form a homogeneous metal-ammonia intercalate layer, NH3·Mx, when x is less than the limiting solubility of M in NH3. The superconducting transition temperature (Tc) was found to increase as the c-axis expansion [2δ = c(TaS2·NH3·Mx) - c(2H-TaS2)] decreased when M = lithium, sodium, and potassium. Of all the alkali metals, potassium gave the most stable compounds and the highest Tc, 4.7°K. Images PMID:16592219

  1. Resonances in rotationally inelastic scattering of NH3 and ND3 with H2.

    PubMed

    Ma, Qianli; van der Avoird, Ad; Loreau, Jérôme; Alexander, Millard H; van de Meerakker, Sebastiaan Y T; Dagdigian, Paul J

    2015-07-28

    We present theoretical studies on the scattering resonances in rotationally inelastic collisions of NH3 and ND3 molecules with H2 molecules. We use the quantum close-coupling method to compute state-to-state integral and differential cross sections for the NH3/ND3-H2 system for collision energies between 5 and 70 cm(-1), using a previously reported potential energy surface [Maret et al., Mon. Not. R. Astron. Soc. 399, 425 (2009)]. We identify the resonances as shape or Feshbach resonances. To analyze these, we use an adiabatic bender model, as well as examination at the scattering wave functions and lifetimes. The strength and width of the resonance peaks suggest that they could be observed in a crossed molecular beam experiment involving a Stark-decelerated NH3 beam.

  2. (CH3Br⋯NH3)@C60: The effect of nanoconfinement on halogen bonding

    NASA Astrophysics Data System (ADS)

    Srivastava, Ambrish Kumar; Pandey, Sarvesh Kumar; Misra, Neeraj

    2016-10-01

    Halogen bonds resemble hydrogen bonds in many aspects. How do the properties of halogen bonds change when confined to nanoregion? In order to explore this, we have encapsulated a halogen bonded complex, CH3Br⋯NH3 inside C60 fullerene and studied their properties using density functional theory and quantum theory of atoms in molecule. Our findings show that the geometry of CH3Br⋯NH3 complex is appreciably bent inside C60, interaction becomes covalent with larger interaction energy, unlike free CH3Br⋯NH3 complex, which is linear with closed shell interaction. Thus, the halogen bonded complexes show quite different properties at nanoscale.

  3. NH3 sensing properties polyaniline: TiO2 nanorods heterostructure

    NASA Astrophysics Data System (ADS)

    Patil, U. V.; Ramgir, Niranjan S.; Debnath, A. K.; Karmakar, N.; Aswal, D. K.; Kothari, D. C.; Gupta, S. K.

    2016-05-01

    NH3 sensing properties of polyaniline: TiO2 nanorods heterostructures have been investigated. TiO2 nanorods were synthesized using hydrothermal method. Thin layer of polyanilene was deposited by in-situ oxidative polymerization of aniline over TiO2 nanorods film. The heterostructure film exhibited an enhanced sensor response towards NH3 at room temperature. For example, heterostructure films exhibited a sensor response of 610% towards 100 ppm of NH3 with a response and recovery times of 40 and 60 s, respectively. This response and response kinetics is better than pure PANI films that exhibited a response of 210% with a response and recovery time of 21 and 160 s, respectively.

  4. Cyclic Concentration Measurements for Characterizing Pulsating Flow

    SciTech Connect

    Bamberger, Judith A.

    2013-07-07

    Slurry mixed in vessels via pulse jet mixers has a periodic, rather than steady, concentration profile. Measurements of local concentration taken at the center of the tank at a range of elevations within the mixed region were analyzed to obtain a greater understanding of how the periodic pulse jet mixing cycle affects the local concentration. Data were obtained at the critical suspension velocity, when all solids are suspended at the end of the pulse. The data at a range of solids loadings are analyzed to observe the effect of solids concentration during the suspension and settling portions of the mixing cycle.

  5. Scattering of NH3 and ND3 with rare gas atoms at low collision energy.

    PubMed

    Loreau, J; van der Avoird, A

    2015-11-14

    We present a theoretical study of elastic and rotationally inelastic collisions of NH3 and ND3 with rare gas atoms (He, Ne, Ar, Kr, Xe) at low energy. Quantum close-coupling calculations have been performed for energies between 0.001 and 300 cm(-1). We focus on collisions in which NH3 is initially in the upper state of the inversion doublet with j = 1, k = 1, which is the most relevant in an experimental context as it can be trapped electrostatically and Stark-decelerated. We discuss the presence of resonances in the elastic and inelastic cross sections, as well as the trends in the inelastic cross sections along the rare gas series and the differences between NH3 and ND3 as a colliding partner. We also demonstrate the importance of explicitly taking into account the umbrella (inversion) motion of NH3 in order to obtain accurate scattering cross sections at low collision energy. Finally, we investigate the possibility of sympathetic cooling of ammonia using cold or ultracold rare gas atoms. We show that some systems exhibit a large ratio of elastic to inelastic cross sections in the cold regime, which is promising for sympathetic cooling experiments. The close-coupling calculations are based on previously reported ab initio potential energy surfaces for NH3-He and NH3-Ar, as well as on new, four-dimensional, potential energy surfaces for the interaction of ammonia with Ne, Kr, and Xe, which were computed using the coupled-cluster method and large basis sets. We compare the properties of the potential energy surfaces corresponding to the interaction of ammonia with the various rare gas atoms.

  6. Synthesis, structure, lattice energy and enthalpy of 2D hybrid perovskite [NH3(CH2)4NH3]CoCl4, compared to [NH3(CH2)nNH3]CoCl4, n=3-9

    NASA Astrophysics Data System (ADS)

    Abdel-Aal, Seham K.; Abdel-Rahman, Ahmed S.

    2017-01-01

    A new organic-inorganic 2D hybrid perovskite [NH3(CH2)4NH3]CoCl4,1,4butane diammonium tetra-chlorocobaltate, has been synthesized. Blue prismatic single crystals were grown from ethanolic solution in 1:1 stoichiometric ratio (organic/inorganic) by gradual cooling to room temperature after heating at 70 °C for 1 h. The hybrid crystallizes in a triclinic phase with the centrosymetric space group P 1 bar . Its unit cell parameters are a=7.2869 (2) Å, b=8.1506 (2) Å, c=10.4127 (3) Å, α=77.2950 (12)°, β=80.0588 (11)°, γ=82.8373 (12)° and Z=2. The final R factor is 0.064. The structure consists of organic dications [NH3(CH2)4NH3]2+ which act as spacer between layers of inorganic dianions [CoCl4]2- in which CoII ions are coordinated by four Cl atoms in an isolated tetrahedral structure. The organic and inorganic layers form infinite 2D sheets which are parallel to the ac plane, stacking alternatively along the b-axis, and are connected via N-H…. Cl hydrogen bonds. The lamellar structure of the 1,4 butane diammonium tetrachlorocobaltate hybrid is typically considered as naturally self-assembled multiple quantum wells (MQW). The calculated lattice potential energy Upot (kJ/mol) and lattice enthalpy ΔHL (kJ/mol) are inversely proportional to the molecular volume Vm (nm3) of perovskite hybrid of the formula [NH3(CH2)nNH3]CoCl4, n=3-9.

  7. Partial phase diagram for the system NH3-H2O - The water-rich region

    NASA Technical Reports Server (NTRS)

    Johnson, M. L.; Schwake, A.; Nicol, M.

    1984-01-01

    Phase boundaries of the H2O-NH3 system for (NH3)/x/(H2O)/1-x/ have been determined with diamond-anvil cells for mixtures in two composition ranges: (1) for x in the range from 0 to 0.3, at pressures up to 4 GPa at 21 C, and (2) for x in the range from 0.46 to 0.50, at pressures up to 5 GPa from 150 to 400 K. Phases were identified visually with a microscope and polarized optics. The NH3.2(H2O) phase is strongly anisotropic with a much smaller refractive index than that of ice VII and cracks in two nonperpendicular networks. NH3.H2O has a refractive index closer to that of Ice VII and does not appear to form cracks. Both phases are colorless. Phase boundaries were determined on both increasing and decreasing pressures, and compositions of the ammonia ices were determined by estimating relative amounts of water and ammonia ices at known overall compositions. For low-ammonia compositions (x equal to or less than 0.15), the following assemblages succedd one another as pressure increases: liquid; liquid and Ice VI (at 1.0 + GPa); liquid and Ice VII (at 2.1 GPa); Ice VII and NH3.H2O (at 3.5 GPa). For x in the range from 0.15 to 0.30, the water ice and liquid fields are replaced by the NH3.2(H2O) and liquid field at pressures down to 1.0 GPa and lower.

  8. Scattering of NH3 and ND3 with rare gas atoms at low collision energy

    NASA Astrophysics Data System (ADS)

    Loreau, J.; van der Avoird, A.

    2015-11-01

    We present a theoretical study of elastic and rotationally inelastic collisions of NH3 and ND3 with rare gas atoms (He, Ne, Ar, Kr, Xe) at low energy. Quantum close-coupling calculations have been performed for energies between 0.001 and 300 cm-1. We focus on collisions in which NH3 is initially in the upper state of the inversion doublet with j = 1, k = 1, which is the most relevant in an experimental context as it can be trapped electrostatically and Stark-decelerated. We discuss the presence of resonances in the elastic and inelastic cross sections, as well as the trends in the inelastic cross sections along the rare gas series and the differences between NH3 and ND3 as a colliding partner. We also demonstrate the importance of explicitly taking into account the umbrella (inversion) motion of NH3 in order to obtain accurate scattering cross sections at low collision energy. Finally, we investigate the possibility of sympathetic cooling of ammonia using cold or ultracold rare gas atoms. We show that some systems exhibit a large ratio of elastic to inelastic cross sections in the cold regime, which is promising for sympathetic cooling experiments. The close-coupling calculations are based on previously reported ab initio potential energy surfaces for NH3-He and NH3-Ar, as well as on new, four-dimensional, potential energy surfaces for the interaction of ammonia with Ne, Kr, and Xe, which were computed using the coupled-cluster method and large basis sets. We compare the properties of the potential energy surfaces corresponding to the interaction of ammonia with the various rare gas atoms.

  9. NH3 Survey Observation of Massive Star-Forming Region W 43

    NASA Astrophysics Data System (ADS)

    Nishitani, Hiroyuki; Sorai, Kazuo; Habe, Asao; Hosaki, Keita; Watanabe, Yoshimasa; Ohishi, Yukie; Motogi, Kazuhito; Minamidani, Tetsuhiro; Fujimoto, Masayuki Y.

    2012-04-01

    We consider the properties of giant molecular cloud complexes in the star-forming region W 43 with a resolution of several pc scale, and discuss their relations to the evolutionary stages of massive star formation. We performed a NH3 (J , K) = (1, 1), (2, 2), and (3, 3) inversion-line survey with the Hokkaido University 11-m telescope. Among 51 observed positions, selected based on integrated intensity maps of 13CO (J = 1-0), these three emissions were detected from 21, 8, and 5 positions, respectively. The integrated intensity of the NH3 (J , K) = (1, 1) line was found to be proportional to the far-infrared luminosity, estimated from IRAS data. The rotation temperatures were deduced to be ˜ 15-20 K at eight observed positions. In addition, the upper limits were estimated for 13 positions, which include the relatively low temperatures below 14 K at two positions with a relatively high fractions of NH3 for 13CO and with a low far-infrared luminosity. We derived the ortho-to-para abundance ratio of NH3. From the population distribution between the ortho- and para-levels of NH3, we also derived temperatures of ˜ 6-12 K, which may be interpreted as the temperatures when NH3 molecules were formed. We discuss the relevance of the present results of our observations to the massive star-formation process and the current status of the W 43 region while taking into account previous observations of other indicators of massive star formation. It is shown that the complexes contain several regions in different evolutionary stages, or with the distinct characteristics of star formation within a timescales shorter than the lifetime of massive stars.

  10. Meteorite impacts on ancient oceans opened up multiple NH3 production pathways.

    PubMed

    Shimamura, Kohei; Shimojo, Fuyuki; Nakano, Aiichiro; Tanaka, Shigenori

    2017-05-10

    A recent series of shock experiments by Nakazawa et al. starting in 2005 (e.g. [Nakazawa et al., Earth Planet. Sci. Lett., 2005, 235, 356]) suggested that meteorite impacts on ancient oceans would have yielded a considerable amount of NH3 to the early Earth from atmospheric N2 and oceanic H2O through reduction by meteoritic iron. To clarify the mechanisms, we imitated the impact events by performing multi-scale shock technique-based ab initio molecular dynamics in the framework of density functional theory in combination with multi-scale shock technique (MSST) simulations. Our previous simulations with impact energies close to that of the experiments revealed picosecond-order rapid NH3 production during shock compression [Shimamura et al., Sci. Rep., 2016, 6, 38952]. It was also shown that the reduction of N2 took place with an associative mechanism as seen in the catalysis of nitrogenase enzymes. In this study, we performed an MSST-AIMD simulation to investigate the production by meteorite impacts with higher energies, which are closer to the expected values on the early Earth. It was found that the amount of NH3 produced further increased. We also found that the increased NH3 production is due to the emergence of multiple reaction mechanisms at increased impact energies. We elucidated that the reduction of N2 was not only attributed to the associative mechanism but also to a dissociative mechanism as seen in the Haber-Bosch process and to a mechanism through a hydrazinium ion. The emergence of these multiple production mechanisms capable of providing a large amount of NH3 would support the suggestions from recent experiments much more strongly than was previously believed, i.e., shock-induced NH3 production played a key role in the origin of life on Earth.

  11. Partial phase diagram for the system NH3-H2O - The water-rich region

    NASA Technical Reports Server (NTRS)

    Johnson, M. L.; Schwake, A.; Nicol, M.

    1984-01-01

    Phase boundaries of the H2O-NH3 system for (NH3)/x/(H2O)/1-x/ have been determined with diamond-anvil cells for mixtures in two composition ranges: (1) for x in the range from 0 to 0.3, at pressures up to 4 GPa at 21 C, and (2) for x in the range from 0.46 to 0.50, at pressures up to 5 GPa from 150 to 400 K. Phases were identified visually with a microscope and polarized optics. The NH3.2(H2O) phase is strongly anisotropic with a much smaller refractive index than that of ice VII and cracks in two nonperpendicular networks. NH3.H2O has a refractive index closer to that of Ice VII and does not appear to form cracks. Both phases are colorless. Phase boundaries were determined on both increasing and decreasing pressures, and compositions of the ammonia ices were determined by estimating relative amounts of water and ammonia ices at known overall compositions. For low-ammonia compositions (x equal to or less than 0.15), the following assemblages succedd one another as pressure increases: liquid; liquid and Ice VI (at 1.0 + GPa); liquid and Ice VII (at 2.1 GPa); Ice VII and NH3.H2O (at 3.5 GPa). For x in the range from 0.15 to 0.30, the water ice and liquid fields are replaced by the NH3.2(H2O) and liquid field at pressures down to 1.0 GPa and lower.

  12. CO2-dominated Atmosphere in Equilibrium with NH3-H2O Ocean: Application to Early Titan and Ocean Planets

    NASA Astrophysics Data System (ADS)

    Marounina, N.; Grasset, O.; Tobie, G.; Carpy, S.

    2015-12-01

    During the accretion of Titan, impact heating may have been sufficient to allow the global melting of water ice (Monteux et al. 2014) and the release of volatile compounds, with CO2 and NH3 as main constituents (Tobie et al. 2012). Thus, on primitive Titan, it is thought that a massive atmosphere was in contact with a global water ocean. Similar configurations may occur on temperate water-rich planets called ocean planets (Léger et al. 2004, Kitzmann et al. 2015).Due to its rather low solubility in liquid water, carbon dioxide is expected to be one of the major components in the atmosphere. The atmospheric amount of CO2 is a key parameter for assessing the thermal evolution of the planetary surface because of its strong greenhouse effect. However, ammonia significantly affects the solubility of CO2 in water and hence the atmosphere-ocean thermo-chemical equilibrium. For primitive Titan, estimating the mass, temperature and composition of the primitive atmosphere is important to determine mechanisms that led to the present-day N2-CH4 dominated atmosphere. Similarly, for ocean planets, the influence of ammonia on the atmospheric abundance in CO2 has consequences for the definition of the habitable zone.To investigate the atmospheric composition of the water-rich worlds for a wide range of initial compositions, we have developed a vapor-liquid equilibrium model of the NH3-CO2-H2O system, where we account for the non-ideal comportment of both vapor and liquid phases and the ion speciation of volatiles dissolved in the aqueous phase. We show that adding NH3 to the CO2-H2O binary system induces an efficient absorption of the CO2 in the liquid phase and thus a lower CO2 partial pressure in the vapor phase. Indeed, the CO2 partial pressure remains low for the CO2/NH3 ratio of liquid concentrations lower than 0.5.Assuming various initial compositions of Titan's global water ocean, we explore the thermal and compositional evolution of a massive primitive atmosphere using

  13. Ammonia and carbon dioxide concentrations in a layer house.

    PubMed

    Kilic, Ilker; Yaslioglu, Erkan

    2014-08-01

    Higher concentrations of ammonia (NH3) and carbon dioxide (CO2) in animal barns can negatively affect production and health of animals and workers. This paper focuses on measurements of summer concentrations of ammonia (NH3) and carbon dioxide (CO2) in a naturally ventilated laying henhouse located at an egg production facility in Bursa region, western Turkey. Also, indoor and ambient environmental conditions such as temperature and relative humidity were measured simultaneously with pollutant gas concentrations. The average NH3 concentrations during summer of 2013 was 8.05 ppm for exhaust and 5.42 ppm for inlet while average CO2 concentration was 732 ppm for exhaust and 625 ppm for inlet throughout summer. The overall minimum, average and maximum values and humidity were obtained as 16.8°C, 24.72°C, and 34.71°C for indoor temperature and 33.64%, 63.71%, and 86.18% for relative humidity. The lowest exhaust concentrations for NH3 and CO2 were 6.98 ppm and 609 ppm, respectively. They were measured in early morning at the maximum diurnal ventilation rate in July 2013 and August 2013. The highest concentrations were 10.58 ppm for NH3 and 904 ppm for CO2 recorded in the afternoon when the ventilation rate was the lowest in June 2013.

  14. Ultraviolet-gas phase and -photocatalytic synthesis from CO and NH3. [photolysis products

    NASA Technical Reports Server (NTRS)

    Hubbard, J. S.; Voecks, G. E.; Hobby, G. L.; Ferris, J. P.; Williams, E. A.; Nicodem, D. E.

    1975-01-01

    Ammonium cyanate is identified as the major product of the photolysis of gaseous NH3-CO mixtures at 206.2 or 184.9 nm. Lesser amounts of urea, biurea, biuret semicarbazide, formamide and cyanide are observed. A series of 18 reactions underlying the formation of photolysis products is presented and discussed. Photocatalytic syntheses of C-14-urea, -formamide, and -formaldehyde are carried out through irradiation of (C-14)O and NH3 in the presence of Vycor, silica gel, or volcanic ash shale surfaces. The possible contributions of the relevant reactions to the abiotic synthesis of organic nitrogen compounds on Mars, the primitive earth, and in interstellar space are examined.

  15. NH3 (10-00) in the pre-stellar core L1544

    NASA Astrophysics Data System (ADS)

    Caselli, P.; Bizzocchi, L.; Keto, E.; Sipilä, O.; Tafalla, M.; Pagani, L.; Kristensen, L. E.; van der Tak, F. F. S.; Walmsley, C. M.; Codella, C.; Nisini, B.; Aikawa, Y.; Faure, A.; van Dishoeck, E. F.

    2017-07-01

    Pre-stellar cores represent the initial conditions in the process of star and planet formation, therefore it is important to study their physical and chemical structure. Because of their volatility, nitrogen-bearing molecules are key to study the dense and cold gas present in pre-stellar cores. The NH3 rotational transition detected with Herschel-HIFI provides a unique combination of sensitivity and spectral resolution to further investigate physical and chemical processes in pre-stellar cores. Here we present the velocity-resolved Herschel-HIFI observations of the ortho-NH3(10 - 00) line at 572 GHz and study the abundance profile of ammonia across the pre-stellar core L1544 to test current theories of its physical and chemical structure. Recently calculated collisional coefficients have been included in our non-LTE radiative transfer code to reproduce Herschel observations. A gas-grain chemical model, including spin-state chemistry and applied to the (static) physical structure of L1544 is also used to infer the abundance profile of ortho-NH3. The hyperfine structure of ortho-NH3(10 - 00) is resolved for the first time in space. All the hyperfine components are strongly self-absorbed. The profile can be reproduced if the core is contracting in quasi-equilibrium, consistent with previous work, and if the NH3 abundance is slightly rising toward the core centre, as deduced from previous interferometric observations of para-NH3(1, 1). The chemical model overestimates the NH3 abundance at radii between ≃4000 and 15 000 AU by about two orders of magnitude and underestimates the abundance toward the core centre by more than one order of magnitude. Our observations show that chemical models applied to static clouds have problems in reproducing NH3 observations. Based on observations carried out with Herschel, an ESA space observatory with science instruments provided by a European-led Principal Investigator consortium and with important participation from NASA.

  16. A theoretical investigation of gaseous absorption by water droplets from SO2-HNO3-NH3-CO2-HCl mixtures

    NASA Technical Reports Server (NTRS)

    Adewuyi, Y. G.; Carmichael, G. R.

    1982-01-01

    A physical-chemical model is developed and used to investigate gaseous absorption by water droplets from trace gas mixtures. The model is an extension of that of Carmichael and Peters (1979) and includes the simultaneous absorption of SO2, NH3, HNO3, CO2, and HCl. Gas phase depletion is also considered. Presented results demonstrate that the absorption behavior of raindrops is strongly dependent on drop size, fall distance, trace gas concentrations, and the chemical and physical properties of the constituents of the mixture. In addition, when gas phase depletion is considered, the absorption rates and equilibrium values are also dependent on the precipitation rate itself. Also, the trace constituents liquid phase concentrations may be a factor of six or more lower when gas depletion is considered then when the depletion is ignored. However, the hydrogen ion concentration may be insensitive to the gas phase depletion.

  17. A theoretical investigation of gaseous absorption by water droplets from SO2-HNO3-NH3-CO2-HCl mixtures

    NASA Technical Reports Server (NTRS)

    Adewuyi, Y. G.; Carmichael, G. R.

    1982-01-01

    A physical-chemical model is developed and used to investigate gaseous absorption by water droplets from trace gas mixtures. The model is an extension of that of Carmichael and Peters (1979) and includes the simultaneous absorption of SO2, NH3, HNO3, CO2, and HCl. Gas phase depletion is also considered. Presented results demonstrate that the absorption behavior of raindrops is strongly dependent on drop size, fall distance, trace gas concentrations, and the chemical and physical properties of the constituents of the mixture. In addition, when gas phase depletion is considered, the absorption rates and equilibrium values are also dependent on the precipitation rate itself. Also, the trace constituents liquid phase concentrations may be a factor of six or more lower when gas depletion is considered then when the depletion is ignored. However, the hydrogen ion concentration may be insensitive to the gas phase depletion.

  18. Fe/SSZ-13 as an NH3-SCR Catalyst: A Reaction Kinetics and FTIR/Mössbauer Spectroscopic Study

    SciTech Connect

    Gao, Feng; Kollar, Marton; Kukkadapu, Ravi K.; Washton, Nancy M.; Wang, Yilin; Szanyi, Janos; Peden, Charles H.F.

    2015-03-01

    Using a traditional aqueous solution ion-exchange method under a protecting atmosphere of N2, an Fe/SSZ-13 catalyst active in NH3-SCR was synthesized. Mössbauer and FTIR spectroscopies were used to probe the nature of the Fe sites. In the fresh sample, the majority of Fe species are extra-framework cations. The likely monomeric and dimeric ferric ions in hydrated form are [Fe(OH)2]+ and [HO-Fe-O-Fe-OH]2+, based on Mössbauer measurements. During the severe hydrothermal aging (HTA) applied in this study, a majority of cationic Fe species convert to FeAlOx and clustered FeOx species, accompanied by severe dealumination of the SSZ-13 framework. The clustered FeOx species do not give a sextet Mössbauer spectrum, indicating that these are highly disordered. However, some Fe species in cationic positions remain after aging as determined from Mössbauer measurements and CO/NO FTIR titrations. NO/NH3 oxidation reaction tests reveal that dehydrated cationic Fe are substantially more active in catalyzing oxidation reactions than the hydrated ones. For NH3-SCR, enhancement of NO oxidation under ‘dry’ conditions promotes SCR rates below ~300 • C. This is due mainly to contribution from the “fast” SCR channel. Above ~300 • C, enhancement of NH3 oxidation under ‘dry’ conditions, however, becomes detrimental to NOx conversions. The HTA sample loses much of the SCR activity below ~300 • C; however, above ~400 • C much of the activity remains. This may suggest that the FeAlOx and FeOx species become active at such elevated temperatures. Alternatively, the high-temperature activity may be maintained by the remaining extra-framework cationic species. For potential practical applications, Fe/SSZ-13 may be used as a co-catalyst for Cu/CHA as integral aftertreatment SCR catalysts on the basis of the stable high temperature activity after hydrothermal aging. The authors gratefully acknowledge the US Department of Energy (DOE), Energy Efficiency and Renewable Energy

  19. Atomistic Origins of Surface Defects in CH3NH3PbBr3 Perovskite and Their Electronic Structures.

    PubMed

    Liu, Yunxia; Palotas, Krisztian; Yuan, Xiao; Hou, Tingjun; Lin, Haiping; Li, Youyong; Lee, Shuit-Tong

    2017-02-28

    The inherent instability of CH3NH3PbX3 remains a major technical barrier for the industrial applications of perovskite materials. Recently, the most stable surface structures of CH3NH3PbX3 have been successfully characterized by using density functional theory (DFT) calculations together with the high-resolution scanning tunneling microscopy (STM) results. The two coexisting phases of the perovskite surfaces have been ascribed to the alternate orientation of the methylammonium (MA) cations. Notably, similar surface defect images (a dark depression at the sites of X atoms) have been observed on surfaces produced with various experimental methods. As such, these defects are expected to be intrinsic to the perovskite crystals and may play an important role in the structural decomposition of perovskite materials. Understanding the nature of such defects should provide some useful information toward understanding the instability of perovskite materials. Thus, we investigate the chemical identity of the surface defects systematically with first-principles density functional theory calculations and STM simulations. The calculated STM images of the Br and Br-MA vacancies are both in good agreement with the experimental measurements. In vacuum conditions, the formation energy of Br-MA is 0.43 eV less than the Br vacancy. In the presence of solvation effects, however, the formation energy of a Br vacancy becomes 0.42 eV lower than the Br-MA vacancy. In addition, at the vacancy sites, the adsorption energies of water, oxygen, and acetonitrile molecules are significantly higher than those on the pristine surfaces. This clearly demonstrated that the structural decomposition of perovskites are much easier to start from these vacancy sites than the pristine surfaces. Combining DFT calculations and STM simulations, this work reveals the chemical identities of the intrinsic defects in the CH3NH3PbX3 perovskite crystals and their effects on the stability of perovskite materials.

  20. In situ supported MnO(x)-CeO(x) on carbon nanotubes for the low-temperature selective catalytic reduction of NO with NH3.

    PubMed

    Zhang, Dengsong; Zhang, Lei; Shi, Liyi; Fang, Cheng; Li, Hongrui; Gao, Ruihua; Huang, Lei; Zhang, Jianping

    2013-02-07

    The MnO(x) and CeO(x) were in situ supported on carbon nanotubes (CNTs) by a poly(sodium 4-styrenesulfonate) assisted reflux route for the low-temperature selective catalytic reduction (SCR) of NO with NH(3). X-Ray diffraction (XRD), transmission electron microscopy (TEM), high-resolution TEM (HRTEM), X-ray photoelectron spectroscopy (XPS), H(2) temperature-programmed reduction (H(2)-TPR) and NH(3) temperature-programmed desorption (NH(3)-TPD) have been used to elucidate the structure and surface properties of the obtained catalysts. It was found that the in situ prepared catalyst exhibited the highest activity and the most extensive operating-temperature window, compared to the catalysts prepared by impregnation or mechanically mixed methods. The XRD and TEM results indicated that the manganese oxide and cerium oxide species had a good dispersion on the CNT surface. The XPS results demonstrated that the higher atomic concentration of Mn existed on the surface of CNTs and the more chemisorbed oxygen species exist. The H(2)-TPR results suggested that there was a strong interaction between the manganese oxide and cerium oxide on the surface of CNTs. The NH(3)-TPD results demonstrated that the catalysts presented a larger acid amount and stronger acid strength. In addition, the obtained catalysts exhibited much higher SO(2)-tolerance and improved the water-resistance as compared to that prepared by impregnation or mechanically mixed methods.

  1. The influence of the relative thermal expansion and electric permittivity on phase transitions in the perovskite-type bidimensional layered NH3(CH2)3NH3CdBr4 compound

    NASA Astrophysics Data System (ADS)

    Staśkiewicz, Beata; Staśkiewicz, Anna

    2017-07-01

    Hydrothermal method has been used to synthesized the layered hybrid compound NH3(CH2)3NH3CdBr4 of perovskite architecture. Structural, dielectric and dilatometric properties of the compound have been analyzed. Negative thermal expansion (NTE) effect in the direction perpendicular to the perovskite plane as well as an unusual phase sequence have been reported based on X-ray diffraction analysis. Electric permittivity measurements evidenced the phase transitions at Tc1=326/328 K and Tc2=368/369 K. Relative linear expansion measurements almost confirmed these temperatures of phase transitions. Anomalies of electric permittivity and expansion behavior connected with the phase transitions are detected at practically the same temperatures as those observed earlier in differential scanning calorimetry (DSC), infrared (IR), far infrared (FIR) and Raman spectroscopy studies. Mechanism of the phase transitions is explained. Relative linear expansion study was prototype to estimate critical exponent value β for continuous phase transition at Tc1. It has been inferred that there is a strong interplay between the distortion of the inorganic network, those hydrogen bonds and the intermolecular interactions of the organic component.

  2. Biochar applied with appropriate rates can reduce N leaching, keep N retention and not increase NH3 volatilization in a coastal saline soil.

    PubMed

    Sun, Haijun; Lu, Haiying; Chu, Lei; Shao, Hongbo; Shi, Weiming

    2017-01-01

    The impacts of biochar addition on nitrogen (N) leaching, (ammonia) NH3 volatilization from coastal saline soils are not well understood. In this soil column study, the effects of wheat straw biochar application at rates of 0.5%, 1%, 2% and 4% by weight to a coastal saline soil on N leaching, NH3 volatilization, soil pH and N retention were investigated. Results showed that 0.5% and 1% biochar amendments reduce the NH4(+)-N, NO3(-)-N and total N concentrations of leachate and thereby significantly decrease their cumulative lost loads by 11.6-24.0%, 13.2-29.7%, and 14.6-26.0%, respectively, in compared with the control. The biochar-induced soil N leaching mitigation efficiency was weakened when the biochar application rates increased to 2% and 4%. However, the impact of biochar addition on cumulative NH3 volatilizations were negative and significantly 25.6-53.6% higher NH3 volatilizations in soils with 2% and 4% biochar amended than control were detected, which was mainly attributed to the averaged 0.53-0.88units higher soil pH as results of biochar addition. On average, the total N concentrations of soil were kept same with 1.01-1.06gkg(-1) under control and biochar treatments. Therefore, biochar application to the coastal saline soils with appropriate rates (i.e., 0.5% and 1% in current study) can reduce N leaching, keep soil N retention, and not increase NH3 volatilization, which was beneficial for sustainable use of saline soils. Copyright © 2016 Elsevier B.V. All rights reserved.

  3. Hyperfine Splittings in the Near-Infrared Spectrum of 14NH_3

    NASA Astrophysics Data System (ADS)

    Twagirayezu, Sylvestre; Sears, Trevor; Hall, Gregory

    2016-06-01

    Sub-Doppler, saturation dip, measurements of transitions in the ν_1 + ν_3 band of 14NH_3 have been made by frequency comb-referenced diode laser absorption spectroscopy. The observed spectra exhibit either resolved or partially-resolved hyperfine splittings that are primarily determined by the 14N quadrupole coupling in the molecule. Modeling of the line shapes based on the known hyperfine level structure of the ground state of the molecule shows that, in nearly all cases, the upper state level has splittings similar to that of the same rotational level in the ground state. The data provide accurate frequencies for the line positions and the observed hyperfine splittings can be used to make or confirm rotational assignments. Of all the measurements, one transition, pP(5,4)_a at 195 994.73457 GHz, exhibits hyperfine structure which does not conform to that expected based on extrapolation from the known lower state hyperfine splittings. Examination of the known vibration-rotation level structure near the upper state energy shows that there exists a near degeneracy between this level and one in the ν_1 + 2ν_4 manifold which is of the appropriate symmetry to be mixed by magnetic hyperfine terms that couple ortho- and para- modifications of the molecule. It is possible that the unusual hyperfine splittings are a consequence of ortho-paro mixing, which has been predicted, but not previously seen in ammonia and further experimental measurements to investigate this possibility are ongoing. Acknowledgments: Work at Brookhaven National Laboratory was carried out under Contract No. DE-SC0012704 with the U.S. Department of Energy, Office of Science, and supported by its Division of Chemical Sciences, Geosciences and Biosciences within the Office of Basic Energy Sciences.

  4. Comparative 4-E analysis of a bottoming pure NH3 and NH3-H2O mixture based power cycle for condenser waste heat recovery

    NASA Astrophysics Data System (ADS)

    Khankari, Goutam; Karmakar, Sujit

    2017-06-01

    This paper proposes a comparative performance analysis based on 4-E (Energy, Exergy, Environment, and Economic) of a bottoming pure Ammonia (NH3) based Organic Rankine Cycle (ORC) and Ammonia-water (NH3-H2O) based Kalina Cycle System 11(KCS 11) for additional power generation through condenser waste heat recovery integrated with a conventional 500MWe Subcritical coal-fired thermal power plant. A typical high-ash Indian coal is used for the analysis. The flow-sheet computer programme `Cycle Tempo' is used to simulate both the cycles for thermodynamic performance analysis at different plant operating conditions. Thermodynamic analysis is done by varying different NH3 mass fraction in KCS11 and at different turbine inlet pressure in both ORC and KCS11. Results show that the optimum operating pressure of ORC and KCS11 with NH3 mass fraction of 0.90 are about 15 bar and 11.70 bar, respectively and more than 14 bar of operating pressure, the plant performance of ORC integrated power plant is higher than the KCS11 integrated power plant and the result is observed reverse below this pressure. The energy and exergy efficiencies of ORC cycle are higher than the KCS11 by about 0.903 % point and 16.605 % points, respectively under similar saturation vapour temperature at turbine inlet for both the cycles. Similarly, plant energy and exergy efficiencies of ORC based combined cycle power plant are increased by 0.460 % point and 0.420 % point, respectively over KCS11 based combined cycle power plant. Moreover, the reduction of CO2 emission in ORC based combined cycle is about 3.23 t/hr which is about 1.5 times higher than the KCS11 based combined cycle power plant. Exergy destruction of the evaporator in ORC decreases with increase in operating pressure due to decrease in temperature difference of heat exchanging fluids. Exergy destruction rate in the evaporator of ORC is higher than KCS11 when the operating pressure of ORC reduces below 14 bar. This happens due to variable

  5. SURFATM-NH3: a model combining the surface energy balance and bi-directional exchanges of ammonia applied at the field scale

    NASA Astrophysics Data System (ADS)

    Personne, E.; Loubet, B.; Herrmann, B.; Mattsson, M.; Schjoerring, J. K.; Nemitz, E.; Sutton, M. A.; Cellier, P.

    2009-08-01

    A new biophysical model SURFATM-NH3, simulating the ammonia (NH3) exchange between terrestrial ecosystems and the atmosphere is presented. SURFATM-NH3 consists of two coupled models: (i) an energy budget model and (ii) a pollutant exchange model, which distinguish the soil and plant exchange processes. The model describes the exchanges in terms of adsorption to leaf cuticles and bi-directional transport through leaf stomata and soil. The results of the model are compared with the flux measurements over grassland during the GRAMINAE Integrated Experiment at Braunschweig, Germany. The dataset of GRAMINAE allows the model to be tested in various meteorological and agronomic conditions: prior to cutting, after cutting and then after the application of mineral fertilizer. The whole comparison shows close agreement between model and measurements for energy budget and ammonia fluxes. The major controls on the ground and plant emission potential are the physicochemical parameters for liquid-gas exchanges which are integrated in the compensation points for live leaves, litter and the soil surface. Modelled fluxes are highly sensitive to soil and plant surface temperatures, highlighting the importance of accurate estimates of these terms. The model suggests that the net flux depends not only on the foliar (stomatal) compensation point but also that of leaf litter. SURFATM-NH3 represents a comprehensive approach to studying pollutant exchanges and its link with plant and soil functioning. It also provides a simplified generalised approach (SVAT model) applicable for atmospheric transport models.

  6. SURFATM-NH3: a model combining the surface energy balance and bi-directional exchanges of ammonia applied at the field scale

    NASA Astrophysics Data System (ADS)

    Personne, E.; Loubet, B.; Herrmann, B.; Mattsson, M.; Schjoerring, J. K.; Nemitz, E.; Sutton, M. A.; Cellier, P.

    2009-01-01

    A new biophysical model SURFATM-NH3, simulating the ammonia (NH3) exchange between terrestrial ecosystems and the atmosphere is presented. SURFATM-NH3 consists of two coupled models: (i) an energy budget model and (ii) a pollutant exchange model, which distinguish the soil and plant exchange processes. The model describes the exchanges in terms of adsorption to leaf cuticles and bi-directional transport through leaf stomata and soil. The results of the model are compared with the flux measurements over grassland during the GRAMINAE Integrated Experiment at Braunschweig, Germany. The dataset of GRAMINAE allows the model to be tested in various climatic and agronomic conditions: prior to cutting, after cutting and then after the application of mineral fertilizer. The whole comparison shows close agreement between model and measurements for energy budget and ammonia fluxes. The major controls on the soil and plant emission potential are the physicochemical parameters for liquid-gas exchanges which are integrated in the compensation points for live leaves, litter and the soil surface. Modelled fluxes are highly sensitive to soil and plant surface temperatures, highlighting the importance of accurate estimates of these terms. The model suggests that the net flux depends not only on the foliar (stomatal) compensation point but also that of leaf litter. SURFATM-NH3 represents a comprehensive approach to studying pollutant exchanges and its link with plant and soil functioning. It also provides a simplified generalised approach (SVAT model) applicable for atmospheric transport models.

  7. Catalytic performance and kinetics of wire-mesh honeycomb catalyst for reduction of NO with NH3.

    PubMed

    Liu, Lei; Zhang, Liguo; Zhang, Qiuyun; Xiao, Yutang; Wu, Honghai

    2014-09-01

    V2O5/TiO2/Al2O3 catalysts with wire-mesh honeycomb (WMH) structure were prepared with three sequent steps: anode oxidation, sol-gel process and impregnation, and used for selective catalytic reduction (SCR) of nitric oxide (NO) with ammonia (NH3). According to the results of BET specific surface area (S(BET)), X-ray diffraction (XRD), and energy-dispersive X-ray analysis (EDX), the effective V2O5/TiO2/Al2O3 structure was formed on the surface of aluminum mesh. The catalytic activity was examined, and the results showed that the excellent treatment efficiency of WMH catalyst was obtained when the temperature was in the range of 473 to 673 K. The NO conversion rate was 86% at 673 K when the space volocity (SV) was 5000 h(-1), the NO conversion rate was both enhanced when increasing NH3/NO ratio or influent NO concentration. The kinetic analysis showed that the catalytic reaction followed pseudo-first-order kinetic model, the SCR reaction depended on chemical kinetics at low temperature (T < 493 K) and mass transfer at high temperature (T > 513 K).

  8. Photocatalytic reduction of NO with NH3 using Si-doped TiO2 prepared by hydrothermal method.

    PubMed

    Jin, Ruiben; Wu, Zhongbiao; Liu, Yue; Jiang, Boqiong; Wang, Haiqiang

    2009-01-15

    A series of Si-doped TiO2 (Si/TiO2) photocatalysts supported on woven glass fabric were prepared by hydrothermal method for photocatalytic reduction of NO with NH3. The photocatalytic activity tests were carried out in a continuous Pyrex reactor with the flow rate of 2000mL/min under UV irradiation (luminous flux: 1.1x10(4)lm, irradiated catalyst area: 160cm2). The photocatalysts were characterized by X-ray diffraction (XRD), BET, X-ray photoelectron spectroscopy (XPS), Fourier transform infrared (FT-IR) spectrophotometer, transmission electron microscopy (TEM), photoluminescence (PL) and temperature-programmed desorption (TPD). The experiment results showed that NO conversion on Si/TiO2 at 323K could exceed 60%, which was about 50% higher than that on Degussa P25 and pure TiO2. With the doping of Si, photocatalysts with smaller crystal size, larger surface area and larger pore volume were obtained. It was also found that Ti-O-Si bands were formed on the surface of Si/TiO2 and that the surface hydroxyl concentration was greatly increased. As a result, total acidity and NH3 chemisorption amount were enhanced for Si/TiO2 leading to its photocatalytic activity improvement.

  9. Intramolecular SN2 reaction caused by photoionization of benzene chloride-NH3 complex: direct ab initio molecular dynamics study.

    PubMed

    Tachikawa, Hiroto

    2006-01-12

    Ionization processes of chlorobenzene-ammonia 1:1 complex (PhCl-NH3) have been investigated by means of full dimensional direct ab initio molecular dynamics (MD) method, static ab initio calculations, and density functional theory (DFT) calculations. The static ab initio and DFT calculations of neutral PhCl-NH3 complex showed that one of the hydrogen atoms of NH3 orients toward a carbon atom in the para-position of PhCl. The dynamics calculation for ionization of PhCl-NH3 indicated that two reaction channels are competitive with each other as product channels: one is an intramolecular SN2 reaction expressed by a reaction scheme [PhCl-NH3]+-->SN2 intermediate complex-->PhNH3++Cl, and the other is ortho-NH3 addition complex (ortho complex) in which NH3 attacks the ortho-carbon of PhCl+ and the trajectory leads to a bound complex expressed by (PhCl-NH3)+. The mechanism of the ionization of PhCl-NH3 is discussed on the basis of the theoretical results.

  10. Interaction of NH3 with Cu-SSZ-13 Catalyst: A Complementary FTIR, XANES, and XES Study.

    PubMed

    Giordanino, Filippo; Borfecchia, Elisa; Lomachenko, Kirill A; Lazzarini, Andrea; Agostini, Giovanni; Gallo, Erik; Soldatov, Alexander V; Beato, Pablo; Bordiga, Silvia; Lamberti, Carlo

    2014-05-01

    In the typical NH3-SCR temperature range (100-500 °C), ammonia is one of the main adsorbed species on acidic sites of Cu-SSZ-13 catalyst. Therefore, the study of adsorbed ammonia at high temperature is a key step for the understanding of its role in the NH3-SCR catalytic cycle. We employed different spectroscopic techniques to investigate the nature of the different complexes occurring upon NH3 interaction. In particular, FTIR spectroscopy revealed the formation of different NH3 species, that is, (i) NH3 bonded to copper centers, (ii) NH3 bonded to Brønsted sites, and (iii) NH4(+)·nNH3 associations. XANES and XES spectroscopy allowed us to get an insight into the geometry and electronic structure of Cu centers upon NH3 adsorption, revealing for the first time in Cu-SSZ-13 the presence of linear Cu(+) species in Ofw-Cu-NH3 or H3N-Cu-NH3 configuration.

  11. Evaluating Molecular Co Complexes for the Conversion of N2 to NH3

    PubMed Central

    Del Castillo, Trevor J.; Thompson, Niklas B.; Suess, Daniel L. M.; Ung, Gaël; Peters, Jonas C.

    2015-01-01

    Well-defined molecular catalysts for the reduction of N2 to NH3 with protons and electrons remain very rare despite decades of interest, and are currently limited to systems featuring Mo or Fe. This report details the synthesis of a molecular Co complex that generates superstoichiometric yields of NH3 (>200% NH3 per Co-N2 precursor) via the direct reduction of N2 with protons and electrons. While the NH3 yields reported herein are modest by comparison to previously described Fe and Mo systems, they intimate that other metals are likely to be viable as molecular N2 reduction catalysts. Additionally, comparison of the featured tris(phosphine)borane Co-N2 complex with structurally related Co-N2 and Fe-N2 species shows how remarkably sensitive the N2 reduction performance of potential pre-catalysts are. These studies enable consideration of structural and electronic effects that are likely relevant to N2 conversion activity, including π-basicity, charge state, and geometric flexibility. PMID:26001022

  12. Spin transport in CH3NH3PbI3

    NASA Astrophysics Data System (ADS)

    Xu, Qingyu; Liu, Er; Qin, Sai; Shi, Shan; Shen, Kai; Xu, Mingxiang; Zhai, Ya; Dong, Shuai

    2014-10-01

    Organometal trihalide perovskites with the general formula (CH3NH3)PbX3 (X is Cl, I and/or Br) have a composition dependent tunable band gap and long electron-hole diffusion length, which is not only being hotly studied for usage in hybrid solar cells, but also has potential application in organic spintronics. In this work, we prepared CH3NH3PbI3-coated Fe3O4 granular films. CH3NH3PbI3 behaves effectively as a spacer to decouple the Fe3O4 particles and spin-preserved transporting matrix. The magnetoresistance of Fe3O4 particles has been significantly enhanced after CH3NH3PbI3 coating, which is about -6% at 300 K and -10.8% at 150 K under a magnetic field of 10 kOe, about 3 times larger than the values of pure Fe3O4 (-1.9% at 300 K and -3.4% at 150 K).

  13. Characterization of a high pressure, high temperature modification of ammonia borane (BH3NH3).

    PubMed

    Nylén, Johanna; Eriksson, Lars; Benson, Daryn; Häussermann, Ulrich

    2013-08-07

    At elevated pressures (above 1.5 GPa) dihydrogen bonded ammonia borane, BH3NH3, undergoes a solid-solid phase transition with increasing temperature. The high pressure, high temperature (HPHT) phase precedes decomposition and evolves from the known high pressure, low temperature form with space group symmetry Cmc21 (Z = 4). Structural changes of BH3NH3 with temperature were studied at around 6 GPa in a diamond anvil cell by synchrotron powder diffraction. At this pressure the Cmc21 phase transforms into the HPHT phase at around 140 °C. The crystal system, unit cell, and B and N atom position parameters of the HPHT phase were extracted from diffraction data, and a hydrogen ordered model with space group symmetry Pnma (Z = 4) subsequently established from density functional calculations. However, there is strong experimental evidence that HPHT-BH3NH3 is a hydrogen disordered rotator phase. A reverse transition to the Cmc21 phase is not observed. When releasing pressure at room temperature to below 1.5 GPa the ambient pressure (hydrogen disordered) I4mm phase of BH3NH3 is obtained.

  14. Direct observation of intrinsic twin domains in tetragonal CH3NH3PbI3.

    PubMed

    Rothmann, Mathias Uller; Li, Wei; Zhu, Ye; Bach, Udo; Spiccia, Leone; Etheridge, Joanne; Cheng, Yi-Bing

    2017-02-23

    Organic-inorganic hybrid perovskites are exciting candidates for next-generation solar cells, with CH3NH3PbI3 being one of the most widely studied. While there have been intense efforts to fabricate and optimize photovoltaic devices using CH3NH3PbI3, critical questions remain regarding the crystal structure that governs its unique properties of the hybrid perovskite material. Here we report unambiguous evidence for crystallographic twin domains in tetragonal CH3NH3PbI3, observed using low-dose transmission electron microscopy and selected area electron diffraction. The domains are around 100-300 nm wide, which disappear/reappear above/below the tetragonal-to-cubic phase transition temperature (approximate 57 °C) in a reversible process that often 'memorizes' the scale and orientation of the domains. Since these domains exist within the operational temperature range of solar cells, and have dimensions comparable to the thickness of typical CH3NH3PbI3 films in the solar cells, understanding the twin geometry and orientation is essential for further improving perovskite solar cells.

  15. Meteorite Impact-Induced Rapid NH3 Production on Early Earth: Ab Initio Molecular Dynamics Simulation.

    PubMed

    Shimamura, Kohei; Shimojo, Fuyuki; Nakano, Aiichiro; Tanaka, Shigenori

    2016-12-14

    NH3 is an essential molecule as a nitrogen source for prebiotic amino acid syntheses such as the Strecker reaction. Previous shock experiments demonstrated that meteorite impacts on ancient oceans would have provided a considerable amount of NH3 from atmospheric N2 and oceanic H2O through reduction by meteoritic iron. However, specific production mechanisms remain unclear, and impact velocities employed in the experiments were substantially lower than typical impact velocities of meteorites on the early Earth. Here, to investigate the issues from the atomistic viewpoint, we performed multi-scale shock technique-based ab initio molecular dynamics simulations. The results revealed a rapid production of NH3 within several picoseconds after the shock, indicating that shocks with greater impact velocities would provide further increase in the yield of NH3. Meanwhile, the picosecond-order production makes one expect that the important nitrogen source precursors of amino acids were obtained immediately after the impact. It was also observed that the reduction of N2 proceeded according to an associative mechanism, rather than a dissociative mechanism as in the Haber-Bosch process.

  16. Adsorption and decomposition of NH3 on Ir(111): A density functional theory study

    NASA Astrophysics Data System (ADS)

    Huang, Wuying; Cheng, Chun; Feng, Eryin

    2013-10-01

    The adsorption and decomposition of NH3 on Ir(111) have been studied using the density functional theory calculations. The recombinative nitrogen desorption has also been investigated. The configurations and stability of NHx(x = 0-3) species have been performed using frequency analysis. The corresponding reaction energies, the activation energies and the structure of the transition states have been determined and analyzed in detail. Including the zero point energy correction, the calculated activation barrier energy for NHx(x = 1-3) dehydrogenation is between 0.94 eV and 1.05 eV, and that for the recombination desorption of N2 is 1.55 eV, which indicates that the N2 recombinative desorption is the rate-limiting step for the NH3 decomposition on Ir(111). The NH3 desorption energy (0.82 eV) is lower than the NH3 dehydrogenation barrier, which indicates that the ammonia rather desorbs than dissociates from a thermodynamic point of view, consistent with the experimental results. But the competition between desorption and dissociation can be controlled in practice via the applied pressure and temperature.

  17. First detection of ammonia (NH3) in the Asian summer monsoon upper troposphere

    NASA Astrophysics Data System (ADS)

    Höpfner, Michael; Volkamer, Rainer; Grabowski, Udo; Grutter, Michel; Orphal, Johannes; Stiller, Gabriele; von Clarmann, Thomas; Wetzel, Gerald

    2016-11-01

    Ammonia (NH3) has been detected in the upper troposphere by the analysis of averaged MIPAS (Michelson Interferometer for Passive Atmospheric Sounding) infrared limb-emission spectra. We have found enhanced amounts of NH3 within the region of the Asian summer monsoon at 12-15 km altitude. Three-monthly, 10° longitude × 10° latitude average profiles reaching maximum mixing ratios of around 30 pptv in this altitude range have been retrieved, with a vertical resolution of 3-8 km and estimated errors of about 5 pptv. These observations show that loss processes during transport from the boundary layer to the upper troposphere within the Asian monsoon do not deplete the air entirely of NH3. Thus, ammonia might contribute to the so-called Asian tropopause aerosol layer by the formation of ammonium aerosol particles. On a global scale, outside the monsoon area and during different seasons, we could not detect enhanced values of NH3 above the actual detection limit of about 3-5 pptv. This upper bound helps to constrain global model simulations.

  18. Meteorite Impact-Induced Rapid NH3 Production on Early Earth: Ab Initio Molecular Dynamics Simulation

    NASA Astrophysics Data System (ADS)

    Shimamura, Kohei; Shimojo, Fuyuki; Nakano, Aiichiro; Tanaka, Shigenori

    2016-12-01

    NH3 is an essential molecule as a nitrogen source for prebiotic amino acid syntheses such as the Strecker reaction. Previous shock experiments demonstrated that meteorite impacts on ancient oceans would have provided a considerable amount of NH3 from atmospheric N2 and oceanic H2O through reduction by meteoritic iron. However, specific production mechanisms remain unclear, and impact velocities employed in the experiments were substantially lower than typical impact velocities of meteorites on the early Earth. Here, to investigate the issues from the atomistic viewpoint, we performed multi-scale shock technique-based ab initio molecular dynamics simulations. The results revealed a rapid production of NH3 within several picoseconds after the shock, indicating that shocks with greater impact velocities would provide further increase in the yield of NH3. Meanwhile, the picosecond-order production makes one expect that the important nitrogen source precursors of amino acids were obtained immediately after the impact. It was also observed that the reduction of N2 proceeded according to an associative mechanism, rather than a dissociative mechanism as in the Haber-Bosch process.

  19. Direct observation of intrinsic twin domains in tetragonal CH3NH3PbI3

    NASA Astrophysics Data System (ADS)

    Rothmann, Mathias Uller; Li, Wei; Zhu, Ye; Bach, Udo; Spiccia, Leone; Etheridge, Joanne; Cheng, Yi-Bing

    2017-02-01

    Organic-inorganic hybrid perovskites are exciting candidates for next-generation solar cells, with CH3NH3PbI3 being one of the most widely studied. While there have been intense efforts to fabricate and optimize photovoltaic devices using CH3NH3PbI3, critical questions remain regarding the crystal structure that governs its unique properties of the hybrid perovskite material. Here we report unambiguous evidence for crystallographic twin domains in tetragonal CH3NH3PbI3, observed using low-dose transmission electron microscopy and selected area electron diffraction. The domains are around 100-300 nm wide, which disappear/reappear above/below the tetragonal-to-cubic phase transition temperature (approximate 57 °C) in a reversible process that often `memorizes' the scale and orientation of the domains. Since these domains exist within the operational temperature range of solar cells, and have dimensions comparable to the thickness of typical CH3NH3PbI3 films in the solar cells, understanding the twin geometry and orientation is essential for further improving perovskite solar cells.

  20. The energy level alignment at the CH3NH3PbI3/pentacene interface

    NASA Astrophysics Data System (ADS)

    Ji, Gengwu; Zhao, Bin; Song, Fei; Zheng, Guanhaojie; Zhang, Xiaonan; Shen, Kongchao; Yang, Yingguo; Chen, Shi; Gao, Xingyu

    2017-01-01

    Pentacene thin film on CH3NH3PbI3 was studied by in-situ X-ray photoelectron spectroscopy and ultraviolet photoelectron spectroscopy to determine their interfacial energy level alignment. A 0.2 eV downward band bending together with a 0.1 eV interfacial dipole was found at the pentacene side, whereas there was no band bending found at the CH3NH3PbI3 side. The offset between CH3NH3PbI3 Valance Band Maximum (VBM) and pentacene Highest Occupied Molecular Orbital (HOMO) and that between CH3NH3PbI3 Conduction Band Minimum (CBM) and pentacene Lowest Unoccupied Molecular Orbital (LUMO) was determined to be 0.7 and 1.35 eV, respectively. The band alignment at this interface is favor of efficient hole transfer, which suggests pentacene as a viable HTL candidate to be explored in perovskite solar cells.

  1. Direct observation of intrinsic twin domains in tetragonal CH3NH3PbI3

    PubMed Central

    Rothmann, Mathias Uller; Li, Wei; Zhu, Ye; Bach, Udo; Spiccia, Leone; Etheridge, Joanne; Cheng, Yi-Bing

    2017-01-01

    Organic–inorganic hybrid perovskites are exciting candidates for next-generation solar cells, with CH3NH3PbI3 being one of the most widely studied. While there have been intense efforts to fabricate and optimize photovoltaic devices using CH3NH3PbI3, critical questions remain regarding the crystal structure that governs its unique properties of the hybrid perovskite material. Here we report unambiguous evidence for crystallographic twin domains in tetragonal CH3NH3PbI3, observed using low-dose transmission electron microscopy and selected area electron diffraction. The domains are around 100–300 nm wide, which disappear/reappear above/below the tetragonal-to-cubic phase transition temperature (approximate 57 °C) in a reversible process that often ‘memorizes' the scale and orientation of the domains. Since these domains exist within the operational temperature range of solar cells, and have dimensions comparable to the thickness of typical CH3NH3PbI3 films in the solar cells, understanding the twin geometry and orientation is essential for further improving perovskite solar cells. PMID:28230064

  2. Meteorite Impact-Induced Rapid NH3 Production on Early Earth: Ab Initio Molecular Dynamics Simulation

    PubMed Central

    Shimamura, Kohei; Shimojo, Fuyuki; Nakano, Aiichiro; Tanaka, Shigenori

    2016-01-01

    NH3 is an essential molecule as a nitrogen source for prebiotic amino acid syntheses such as the Strecker reaction. Previous shock experiments demonstrated that meteorite impacts on ancient oceans would have provided a considerable amount of NH3 from atmospheric N2 and oceanic H2O through reduction by meteoritic iron. However, specific production mechanisms remain unclear, and impact velocities employed in the experiments were substantially lower than typical impact velocities of meteorites on the early Earth. Here, to investigate the issues from the atomistic viewpoint, we performed multi-scale shock technique-based ab initio molecular dynamics simulations. The results revealed a rapid production of NH3 within several picoseconds after the shock, indicating that shocks with greater impact velocities would provide further increase in the yield of NH3. Meanwhile, the picosecond-order production makes one expect that the important nitrogen source precursors of amino acids were obtained immediately after the impact. It was also observed that the reduction of N2 proceeded according to an associative mechanism, rather than a dissociative mechanism as in the Haber-Bosch process. PMID:27966594

  3. Hexacoordinate oxy-globin models Fe(Por)(NH3)(O2) react with NO to form only the nitrato analogs Fe(Por)(NH3)(η1-ONO2), even at ~100 K.

    PubMed

    Kurtikyan, Tigran S; Ford, Peter C

    2010-12-07

    The oxy-globin models Fe(Por)(NH(3))(O(2)), prepared by sequential reactions of O(2) ((18)O(2)) and NH(3) with thin porous layers of Fe(II)(Por), react with NO ((15)NO) at 80-100 K to form only the low-spin nitrato complexes Fe(Por)(NH(3))(η(1)-ONO(2)), thus implying that peroxynitrite intermediates, if formed, must undergo very facile isomerization to the nitrato analog.

  4. Relative CO(2)/NH(3) selectivities of mammalian aquaporins 0-9.

    PubMed

    Geyer, R Ryan; Musa-Aziz, Raif; Qin, Xue; Boron, Walter F

    2013-05-15

    Previous work showed that aquaporin 1 (AQP1), AQP4-M23, and AQP5 each has a characteristic CO(2)/NH(3) and CO(2)/H(2)O permeability ratio. The goal of the present study is to characterize AQPs 0-9, which traffic to the plasma membrane when heterologously expressed in Xenopus oocytes. We use video microscopy to compute osmotic water permeability (P(f)) and microelectrodes to record transient changes in surface pH (ΔpH(S)) caused by CO(2) or NH(3) influx. Subtracting respective values for day-matched, H(2)O-injected control oocytes yields the channel-specific values P(f)* and ΔpH(S)*. We find that P(f)* is significantly >0 for all AQPs tested except AQP6. (ΔpH(S)*)(CO(2)) is significantly >0 for AQP0, AQP1, AQP4-M23, AQP5, AQP6, and AQP9. (ΔpH(S)*)(NH(3)) is >0 for AQP1, AQP3, AQP6, AQP7, AQP8, and AQP9. The ratio (ΔpH(S)*)(CO(2))/P(f)* falls in the sequence AQP6 (∞) > AQP5 > AQP4-M23 > AQP0 ≅ AQP1 ≅ AQP9 > others (0). The ratio (ΔpH(S)*)(NH(3))/P(f)* falls in the sequence AQP6 (∞) > AQP3 ≅ AQP7 ≅ AQP8 ≅ AQP9 > AQP1 > others (0). Finally, the ratio (ΔpH(S)*)(CO(2))/(-ΔpH(S)*)(NH(3)) falls in the sequence AQP0 (∞) ≅ AQP4-M23 ≅ AQP5 > AQP6 > AQP1 > AQP9 > AQP3 (0) ≅ AQP7 ≅ AQP8. The ratio (ΔpH(S)*)(CO(2))/(-ΔpH(S)*)(NH(3)) is indeterminate for both AQP2 and AQP4-M1. In summary, we find that mammalian AQPs exhibit a diverse range of selectivities for CO(2) vs. NH(3) vs. H(2)O. As a consequence, by expressing specific combinations of AQPs, cells could exert considerable control over the movements of each of these three substances.

  5. Perovskite CH3NH3PbI3(Cl) Single Crystals: Rapid Solution Growth, Unparalleled Crystalline Quality, and Low Trap Density toward 10(8) cm(-3).

    PubMed

    Lian, Zhipeng; Yan, Qingfeng; Gao, Taotao; Ding, Jie; Lv, Qianrui; Ning, Chuangang; Li, Qiang; Sun, Jia-Lin

    2016-08-03

    Single crystal reflects the intrinsic physical properties of a material, and single crystals with high-crystalline quality are highly desired for the acquisition of high-performance devices. We found that large single crystals of perovskite CH3NH3PbI3(Cl) could be grown rapidly from chlorine-containing solutions. Within 5 days, CH3NH3PbI3(Cl) single crystal as large as 20 mm × 18 mm × 6 mm was harvested. As a most important index to evaluate the crystalline quality, the full width at half-maximum (fwhm) in the high-resolution X-ray rocking curve (HR-XRC) of as-grown CH3NH3PbI3(Cl) single crystal was measured as 20 arcsec, which is far superior to so far reported CH3NH3PbI3 single crystals (∼1338 arcsec). The unparalleled crystalline quality delivered a low trap-state density of down to 7.6 × 10(8) cm(-3), high carrier mobility of 167 ± 35 cm(2) V(-1) s(-1), and long transient photovoltaic carrier lifetime of 449 ± 76 μs. The improvement in the crystalline quality, together with the rapid growth rate and excellent carrier transport property, provides state-of-the-art single crystalline hybrid perovskite materials for high-performance optoelectronic devices.

  6. Efficient and stable CH3NH3PbI3-sensitized ZnO nanorod array solid-state solar cells.

    PubMed

    Bi, Dongqin; Boschloo, Gerrit; Schwarzmüller, Stefan; Yang, Lei; Johansson, Erik M J; Hagfeldt, Anders

    2013-12-07

    We report for the first time the use of a perovskite (CH3NH3PbI3) absorber in combination with ZnO nanorod arrays (NRAs) for solar cell applications. The perovskite material has a higher absorption coefficient than molecular dye sensitizers, gives better solar cell stability, and is therefore more suited as a sensitizer for ZnO NRAs. A solar cell efficiency of 5.0% was achieved under 1000 W m(-2) AM 1.5 G illumination for a solar cell with the structure: ZnO NRA/CH3NH3PbI3/spiro-MeOTAD/Ag. Moreover, the solar cell shows a good long-term stability. Using transient photocurrent and photovoltage measurements it was found that the electron transport time and lifetime vary with the ZnO nanorod length, a trend which is similar to that in dye-sensitized solar cells, DSCs, suggesting a similar charge transfer process in ZnO NRA/CH3NH3PbI3 solar cells as in conventional DSCs. Compared to CH3NH3PbI3/TiO2 solar cells, ZnO shows a lower performance due to more recombination losses.

  7. Ternary H2SO4-H2O-NH3 neutral and charged nucleation rates for a wide range of atmospheric conditions

    NASA Astrophysics Data System (ADS)

    Kürten, Andreas; Bianchi, Federico; Almeida, Joao; Duplissy, Jonathan; Dunne, Eimear M.; Breitenlechner, Martin; Praplan, Arnaud P.; Ortega, Ismael K.; Kupiainen, Oona; Rondo, Linda; Ehrhart, Sebastian; Kirkby, Jasper; Curtius, Joachim; Cloud Collaboration

    2013-05-01

    The formation of new particles for the ternary system involving sulfuric acid, water vapor and ammonia has been studied in detail. The nucleation rates were obtained from experiments at the CERN CLOUD chamber which allows the measurement of new particle formation under very well defined conditions. Some of its key features are the suppression of contaminants at the technological limit and a very precise control of a wide range of temperatures, trace gas concentrations and nucleation rates. The effect of ionizing radiation on the ternary nucleation rates was investigated by using the CERN proton synchrotron beam (beam conditions), natural galactic cosmic rays (gcr conditions) as well as the high voltage clearing field inside the chamber to suppress the effect of charges (neutral conditions). The dependence of the nucleation rate on ion concentration, sulfuric acid and ammonia concentration as well as temperature was studied extensively. This way, an unprecedented set of data was collected giving insight into the role of neutral and charged ternary NH3 nucleation and the relative importance of the different parameters.

  8. Iron-doped Mn-Ce/TiO2 catalyst for low temperature selective catalytic reduction of NO with NH3.

    PubMed

    Shen, Boxiong; Liu, Ting; Zhao, Ning; Yang, Xiaoyan; Deng, Lidan

    2010-01-01

    The catalysts of iron-doped Mn-Ce/TiO2 (Fe-Mn-Ce/TiO2) prepared by sol-gel method were investigated for low temperature selective catalytic reduction (SCR) of NO with NH3. It was found that the NO conversion over Fe-Mn-Ce/TiO2 was obviously improved after iron doping compared with that over Mn-Ce/TiO2. Fe-Mn-Ce/TiO2 with the molar ratio of Fe/Ti = 0.1 exhibited the highest activity. The results showed that 96.8% NO conversion was obtained over Fe (0.1)-Mn-Ce/TiO2 at 180 degrees C at a space velocity of 50,000 hr(-1). Fe-Mn-Ce/TiO2 exhibited much higher resistance to H2O and SO2 than that of Mn-Ce/TiO2. The properties of the catalysts were characterized using X-ray diffraction (XRD), N2 adsorption, temperature programmed desorption (NH3-TPD and NOx-TPD), and Xray photoelectron spectroscopy (XPS) techniques. BET, NH3-TPD and NOx-TPD results showed that the specific surface area and NH3 and NOx adsorption capacity of the catalysts increased with iron doping. It was known from XPS analysis that iron valence state on the surface of the catalysts were in Fe3+ state. The doping of iron enhanced the dispersion and oxidation state of Mn and Ce on the surface of the catalysts. The oxygen concentrations on the surface of the catalysts were found to increase after iron doping. Fe-Mn-Ce/TiO2 represented a promising catalyst for low temperature SCR of NO with NH3 in the presence of H2O and SO2.

  9. Measuring protein concentration with entangled photons

    NASA Astrophysics Data System (ADS)

    Crespi, Andrea; Lobino, Mirko; Matthews, Jonathan C. F.; Politi, Alberto; Neal, Chris R.; Ramponi, Roberta; Osellame, Roberto; O'Brien, Jeremy L.

    2012-06-01

    Optical interferometry is amongst the most sensitive techniques for precision measurement. By increasing the light intensity, a more precise measurement can usually be made. However, if the sample is light sensitive entangled states can achieve the same precision with less exposure. This concept has been demonstrated in measurements of known optical components. Here, we use two-photon entangled states to measure the concentration of a blood protein in an aqueous buffer solution. We use an opto-fluidic device that couples a waveguide interferometer with a microfluidic channel. These results point the way to practical applications of quantum metrology to light-sensitive samples.

  10. Nucleobases and Prebiotic Molecules in Organic Residues Produced from the Ultraviolet Photo-Irradiation of Pyrimidine in NH3 and H2O+NH3 Ices

    NASA Technical Reports Server (NTRS)

    Nuevo, Michel; Milam, Stefanie N.; Sandford, Scott

    2012-01-01

    Although not yet identified in the interstellar medium (ISM), N-heterocycles including nucleobases the information subunits of DNA and RNA are present in carbonaceous chondrites, which indicates that molecules of biological interest can be formed in non-terrestrial environments via abiotic pathways. Recent laboratory experiments and ab-initio calculations have already shown that the irradiation of pyrimidine in pure H2O ices leads to the formation of a suite of oxidized pyrimidine derivatives, including the nucleobase uracil. In the present work, NH3:pyrimidine and H2O:NH3:pyrimidine ice mixtures with different relative proportions were irradiated with UV photons under astrophysically relevant conditions. Liquid- and gas-chromatography analysis of the resulting organic residues has led to the detection of the nucleobases uracil and cytosine, as well as other species of prebiotic interest such as urea and small amino acids. The presence of these molecules in organic residues formed under abiotic conditions supports scenarios in which extraterrestrial organics that formed in space and were subsequently delivered to telluric planets via comets and meteorites could have contributed to the inventory of molecules that triggered the first biological reactions on their surfaces.

  11. Theoretical and experimental investigations of optical, structural and electronic properties of the lower-dimensional hybrid [NH3-(CH2)10-NH3]ZnCl4

    NASA Astrophysics Data System (ADS)

    El Mrabet, R.; Kassou, S.; Tahiri, O.; Belaaraj, A.; Guionneau, P.

    2016-10-01

    In the current study, a combination between theoretical and experimental studies has been made for the hybrid perovskite [NH3-(CH2)10-NH3]ZnCl4. The density functional theory (DFT) was performed to investigate structural and electronic properties of the tilted compound. A local approximation (LDA) and semi-local approach (GGA) were employed. The results are obtained using, respectively, the local exchange correlation functional of Perdew-Wang 92 (PW92) and semi local functional of Perdew-Burke-Ernzerhof (PBE). The optimized cell parameters are in good agreement with the experimental results. Electronic properties have been studied through the calculation of band structures and density of state (DOS), while structural properties are investigated by geometry optimization of the cell. Fritz-Haber-Institute (FHI) pseudopotentials were employed to perform all calculations. The optical diffuse reflectance spectra was mesured and applied to deduce the refractive index ( n), the extinction coefficient ( k), the absorption coefficient (α), the real and imaginary dielectric permittivity parts (ɛr,ɛi)) and the optical band gap energy Eg. The optical band gap energy value shows good consistent with that obtained from DFT calculations and reveals the insulating behavior of the material.

  12. Synergetic Effect of Chloride Doping and CH3 NH3 PbCl3 on CH3 NH3 PbI3-x Clx Perovskite-Based Solar Cells.

    PubMed

    Xu, Feng; Zhang, Taiyang; Li, Ge; Zhao, Yixin

    2017-06-09

    The chloride-doped CH3 NH3 PbI3-x Clx perovskite has attracted great attention owing to clear performance enhancement by using a Cl additive and by the controversial arguments on Cl function and the mechanism behind it. Herein, a series of CH3 NH3 PbI3-x Clx perovskites with various Cl content was prepared through a gas/solid reaction between CH3 NH2 gas and HPbI3-x Clx (x=0-1). The small amount of Cl doping in CH3 NH3 PbI3-x Clx (x=0.05) could lead to band gap broadening and significantly increase the perovskite grain size, and the phase-pure CH3 NH3 PbI2.95 Cl0.05 perovskites exhibited up to 17.44 % efficiency. For Cl contents higher than 0.1 (x>0.1), CH3 NH3 PbCl3 formed and coexisted with CH3 NH3 PbI3-x Clx , and CH3 NH3 PbCl3 could help to improve the thermal stability of CH3 NH3 PbI3-x Clx . However, the excessive co-existing wide-band-gap CH3 NH3 PbCl3 perovskites would inhibit the electron transfer and lead to a deterioration of photovoltaic performance. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  13. Towards a carbon independent and CO2-free electrochemical membrane process for NH3 synthesis.

    PubMed

    Kugler, K; Ohs, B; Scholz, M; Wessling, M

    2014-04-07

    Ammonia is exclusively synthesized by the Haber-Bosch process starting from precious carbon resources such as coal or CH4. With H2O, H2 is produced and with N2, NH3 can be synthesized at high pressures and temperatures. Regrettably, the carbon is not incorporated into NH3 but emitted as CO2. Valuable carbon sources are consumed which could be used otherwise when carbon sources become scarce. We suggest an alternative process concept using an electrochemical membrane reactor (ecMR). A complete synthesis process with N2 production and downstream product separation is presented and evaluated in a multi-scale model to quantify its energy consumption. A new micro-scale ecMR model integrates mass, species, heat and energy balances with electrochemical conversions allowing further integration into a macro-scale process flow sheet. For the anodic oxidation reaction H2O was chosen as a ubiquitous H2 source. Nitrogen was obtained by air separation which combines with protons from H2O to give NH3 using a hypothetical catalyst recently suggested from DFT calculations. The energy demand of the whole electrochemical process is up to 20% lower than the Haber-Bosch process using coal as a H2 source. In the case of natural gas, the ecMR process is not competitive under today's energy and resource conditions. In future however, the electrochemical NH3 synthesis might be the technology-of-choice when coal is easily accessible over natural gas or limited carbon sources have to be used otherwise but for the synthesis of the carbon free product NH3.

  14. A Water Maser and NH3 Survey of GLIMPSE Extended Green Objects

    NASA Astrophysics Data System (ADS)

    Cyganowski, C. J.; Koda, J.; Rosolowsky, E.; Towers, S.; Donovan Meyer, J.; Egusa, F.; Momose, R.; Robitaille, T. P.

    2013-02-01

    We present the results of a Nobeyama 45 m H2O maser and NH3 survey of all 94 northern GLIMPSE extended green objects (EGOs), a sample of massive young stellar objects (MYSOs) identified based on their extended 4.5 μm emission. We observed the NH3(1,1), (2,2), and (3,3) inversion lines, and detected emission toward 97%, 63%, and 46% of our sample, respectively (median rms ~ 50 mK). The H2O maser detection rate is 68% (median rms ~ 0.11 Jy). The derived H2O maser and clump-scale gas properties are consistent with the identification of EGOs as young MYSOs. To explore the degree of variation among EGOs, we analyze subsamples defined based on mid-infrared (MIR) properties or maser associations. H2O masers and warm dense gas, as indicated by emission in the higher-excitation NH3 transitions, are most frequently detected toward EGOs also associated with both Class I and II CH3OH masers. Ninety-five percent (81%) of such EGOs are detected in H2O (NH3(3,3)), compared to only 33% (7%) of EGOs without either CH3OH maser type. As populations, EGOs associated with Class I and/or II CH3OH masers have significantly higher NH3 line widths, column densities, and kinetic temperatures than EGOs undetected in CH3OH maser surveys. However, we find no evidence for statistically significant differences in H2O maser properties (such as maser luminosity) among any EGO subsamples. Combining our data with the 1.1 mm continuum Bolocam Galactic Plane Survey, we find no correlation between isotropic H2O maser luminosity and clump number density. H2O maser luminosity is weakly correlated with clump (gas) temperature and clump mass.

  15. Preparation and characterization of high-quality perovskite CH3NH3PbX3 (I, Br) single crystal

    NASA Astrophysics Data System (ADS)

    Zhou, Yangyang; Li, Chunmei; Wang, Yu; Du, Xiang; Liu, Pengyi; Xie, Weiguang

    2017-01-01

    In this paper, inverse temperature crystallization and top-seed solution growth method are used to grow high-quality perovskite CH3NH3PbX3 (I, Br) single crystal. The maximum crystal diameter is 6 mm for CH3NH3PbI3, and 3 mm for CH3NH3PbBr3. The results of XRD show that the crystals are tetragonal structure for CH3NH3PbI3, cubic crystal orientation for CH3NH3PbBr3. What is more, crystals exhibit excellent stability in air and can be maintained for eight months. Furthermore, the crystal growth processes are described in detail. The results demonstrate that CH3NH3PbBr3 single crystal growth is more sensitive to the environment.

  16. Band Tailing and Deep Defect States in CH3NH3Pb(I1–xBrx)3 Perovskites As Revealed by Sub-Bandgap Photocurrent

    DOE PAGES

    Sutter-Fella, Carolin M.; Miller, D. Westley; Ngo, Quynh P.; ...

    2017-02-15

    Organometal halide perovskite semiconductors have emerged as promising candidates for optoelectronic applications because of the outstanding charge carrier transport properties, achieved with low-temperature synthesis. In this paper, we present highly sensitive sub-bandgap external quantum efficiency (EQE) measurements of Au/spiro-OMeTAD/CH3NH3Pb(I1–xBrx)3/TiO2/FTO/glass photovoltaic devices. The room-temperature spectra show exponential band tails with a sharp onset characterized by low Urbach energies (Eu) over the full halide composition space. The Urbach energies are 15–23 meV, lower than those for most semiconductors with similar bandgaps (especially with Eg > 1.9 eV). Intentional aging of CH3NH3Pb(I1–xBrx)3 for up to 2300 h, reveals no change in Eu, despitemore » the appearance of the PbI2 phase due to decomposition, and confirms a high degree of crystal ordering. Moreover, sub-bandgap EQE measurements reveal an extended band of sub-bandgap electronic states that can be fit with one or two point defects for pure CH3NH3PbI3 or mixed CH3NH3Pb(I1–xBrx)3 compositions, respectively. Finally, the study provides experimental evidence of defect states close to the midgap that could impact photocarrier recombination and energy conversion efficiency in higher bandgap CH3NH3Pb(I1–xBrx)3 alloys.« less

  17. Neutral thermospheric temperature from ion concentration measurements

    NASA Technical Reports Server (NTRS)

    Breig, E. L.; Donaldson, J. S.; Hanson, W. B.; Hoffman, J. H.; Power, R. A.; Kayser, D. C.; Spencer, N. W.; Wharton, L. E.

    1981-01-01

    A technique for extracting information on neutral temperature from in situ F region measurements of O(+) and H(+) ion concentrations is analyzed and evaluated. Advantage is taken of the condition of charge-exchange equilibrium of these species in the neighborhood of 320 km to infer the associated relative abundances of neutral oxygen and hydrogen. Results are shown to be generally consistent with other concurrent in situ measurements.

  18. Neutral thermospheric temperature from ion concentration measurements

    NASA Technical Reports Server (NTRS)

    Breig, E. L.; Donaldson, J. S.; Hanson, W. B.; Hoffman, J. H.; Power, R. A.; Kayser, D. C.; Spencer, N. W.; Wharton, L. E.

    1981-01-01

    A technique for extracting information on neutral temperature from in situ F region measurements of O(+) and H(+) ion concentrations is analyzed and evaluated. Advantage is taken of the condition of charge-exchange equilibrium of these species in the neighborhood of 320 km to infer the associated relative abundances of neutral oxygen and hydrogen. Results are shown to be generally consistent with other concurrent in situ measurements.

  19. Apparent deposition velocity and compensation point of ammonia inferred from gradient measurements above and through alfalfa

    NASA Astrophysics Data System (ADS)

    Dabney, Seth M.; Bouldin, David R.

    Understanding the cycling of ammonia between croplands and the atmosphere is of importance to agriculturalists and atmospheric scientists. Flux densities of gaseous ammonia (NH 3), particulate ammonium (NH 4+), and total ammoniacal nitrogen (AN) were measured using an aerodynamic method above an alfalfa ( Medicago sativa, L.) canopy between April and July 1981 at a rural location in central New York State. In air not influenced by local sources, NH 3 and NH 4+ averaged 1.5 and 3.0 ppb, respectively, at 1 m above the crop. Ambient NH 4+ varied consistently with synoptic air masses, being lowest (2.3 ppb) for NW and highest (6.4 ppb) for SW flows. Concentrations and gradients of both species were higher during periods of hay harvest. Gradients of NH 3 were much steeper than those of NH 4+ within the alfalfa canopy, but NH 4+ contributed appreciably (36% on average) to above-canopy AN gradients. Alfalfa's NH 3 compensation point was estimated by combining concentration and gradient data with transport resistances. Gaseous gradients indicated a compensation point of 2 ppb, lower than previously published estimates. Conversion of NH 3 to NH 4+ within the canopy air could have reduced NH 3 gradients and caused a low estimate of the compensation point. Acidic aerosols, by keeping NH 3 levels low, may compete with plants for NH 3. Future studies of ammonia exchange should distinguish between NH 3 and NH 4+ if flux densities are to be related to ambient conditions. Total AN level is a poor predictor of soil-plant-atmosphere ammonia exchange since high AN was frequently associated with low NH 3, and NH 3 is more surface reactive than NH 4+.

  20. The C(3P) + NH3 Reaction in Interstellar Chemistry. I. Investigation of the Product Formation Channels

    NASA Astrophysics Data System (ADS)

    Bourgalais, Jérémy; Capron, Michael; Abhinavam Kailasanathan, Ranjith Kumar; Osborn, David L.; Hickson, Kevin M.; Loison, Jean-Christophe; Wakelam, Valentine; Goulay, Fabien; Le Picard, Sébastien D.

    2015-10-01

    The product formation channels of ground state carbon atoms, C(3P), reacting with ammonia, NH3, have been investigated using two complementary experiments and electronic structure calculations. Reaction products are detected in a gas flow tube experiment (330 K, 4 Torr) using tunable vacuum-ultraviolet (VUV) photoionization coupled with time of flight mass spectrometry. Temporal profiles of the species formed and photoionization spectra are used to identify primary products of the C + NH3 reaction. In addition, H-atom formation is monitored by VUV laser induced fluorescence (LIF) from room temperature to 50 K in a supersonic gas flow generated by the Laval nozzle technique. Electronic structure calculations are performed to derive intermediates, transition states, and complexes formed along the reaction coordinate. The combination of photoionization and LIF experiments supported by theoretical calculations indicate that in the temperature and pressure range investigated, the H + H2CN production channel represents 100% of the product yield for this reaction. Kinetics measurements of the title reaction down to 50 K and the effect of the new rate constants on interstellar nitrogen hydride abundances using a model of dense interstellar clouds are reported in Paper II.

  1. The C(3P) + NH3 reaction in interstellar chemistry. I. Investigation of the product formation channels

    DOE PAGES

    Bourgalais, Jeremy; Capron, Michael; Kailasanathan, Ranjith Kumar Abhinavam; ...

    2015-10-13

    The product formation channels of ground state carbon atoms, C(3P), reacting with ammonia, NH3, have been investigated using two complementary experiments and electronic structure calculations. Reaction products are detected in a gas flow tube experiment (330 K, 4 Torr) using tunable vacuum-ultraviolet (VUV) photoionization coupled with time of flight mass spectrometry. Temporal profiles of the species formed and photoionization spectra are used to identify primary products of the C + NH3 reaction. In addition, H-atom formation is monitored by VUV laser induced fluorescence (LIF) from room temperature to 50 K in a supersonic gas flow generated by the Laval nozzlemore » technique. Electronic structure calculations are performed to derive intermediates, transition states, and complexes formed along the reaction coordinate. The combination of photoionization and LIF experiments supported by theoretical calculations indicate that in the temperature and pressure range investigated, the H + H2CN production channel represents 100% of the product yield for this reaction. As a result, kinetics measurements of the title reaction down to 50 K and the effect of the new rate constants on interstellar nitrogen hydride abundances using a model of dense interstellar clouds are reported in Paper II.« less

  2. ZnO nanoplates surfaced-decorated by WO3 nanorods for NH3 gas sensing application

    NASA Astrophysics Data System (ADS)

    Dien Nguyen, Dac; Do, Duc Tho; Hien Vu, Xuan; Vuong Dang, Duc; Chien Nguyen, Duc

    2016-03-01

    Zinc oxide (ZnO) nanoplates and tungsten trioxide (WO3) nanorods were synthesized by hydrothermal treatment from zinc nitrate/potassium hydroxide and sodium tungstate/hydrochloric acid, respectively. The structure, morphology and compositions of the as-prepared WO3/ZnO nano-composites were characterized by x-ray diffraction, field emission scanning electron microscopy and energy dispersive spectroscopy. The obtained ZnO nanoplates have regular shape, single-crystal wurtzite structure with the thickness of 40 nm and 200 versus 400 nm in lateral dimensions. The WO3 nanorods possess the average diameter of 20 nm and the length of approximately 120 nm which were distributed on the surfaces of ZnO nanoplates. The WO3/ZnO nano-composites were prepared by grinding WO3 nanorods powder with ZnO nanoplates powder in various weight ratios (1:2, 1:1 and 2:1). The NH3 gas sensing properties of WO3/ZnO nano-composites were examined through the electrical resistance measurement. The gas sensing performance of the WO3/ZnO composite with weight ratio of 1:1 was better compared with that of other samples. For this sample, the maximum response to 300 ppm NH3 was 24 at the operating temperature of 250 °C. In addition, the gas sensing mechanism of the WO3/ZnO composites was discussed.

  3. LOW-CONCENTRATION NOX EMISSIONS MEASUREMENT

    EPA Science Inventory

    The paper gives results of a recent series of low-concentration nitrogen oxides (NOx) emission measurements, made by Midwest Research Institute (MRI) during U.S. EPA-sponsored Environmental Technology Verification (ETV) test of a NOx control system called Xonon (TM) Cool Combust...

  4. LOW-CONCENTRATION NOX EMISSIONS MEASUREMENT

    EPA Science Inventory

    The paper gives results of a recent series of low-concentration nitrogen oxides (NOx) emission measurements, made by Midwest Research Institute (MRI) during U.S. EPA-sponsored Environmental Technology Verification (ETV) test of a NOx control system called Xonon (TM) Cool Combust...

  5. Optothermal skin-water concentration gradient measurement

    NASA Astrophysics Data System (ADS)

    Xiao, Peng; Imhof, Robert E.

    1996-05-01

    Opto-Thermal Transient Emission Radiometry has been shown to be able to measure stratum corneum hydration in-vivo. We now present a study that shows how the technique can be extended to give information about the distribution of water within the stratum corneum. This depth profile measurement capability is based on a new theoretical expression for the opto- thermal signal that takes a gradient of water concentration explicitly into account. The technique is illustrated with measurements on untreated skin and skin treated with petroleum jelly and DMSO.

  6. Photovoltaic properties of Cu-doped CH3NH3PbI3 with perovskite structure

    NASA Astrophysics Data System (ADS)

    Shirahata, Yasuhiro; Oku, Takeo

    2017-01-01

    Photovoltaic properties of copper (Cu)-doped perovskite (CH3NH3PbCuxI3+x) photovoltaic devices with different Cu content were investigated. The CH3NH3PbCuxI3+x films were polycrystalline with a tetragonal system, and their lattice constants and crystallite size varied with Cu doping. Compared to conversion efficiencies of non-doped CH3NH3PbI3 photovoltaic device, those of CH3NH3PbCuxI3+x photovoltaic devises increased. The improvement of photovoltaic properties was attributed to partial substitution of Cu at the Pb sites.

  7. Continuous gaseous and total ammonia measurements from the southeastern aerosol research and characterization (SEARCH) study

    NASA Astrophysics Data System (ADS)

    Saylor, Rick D.; Edgerton, Eric S.; Hartsell, Benjamin E.; Baumann, Karsten; Hansen, D. Alan

    2010-12-01

    Continuous ammonia (NH 3) measurements with a temporal resolution of 5 min were implemented at selected SEARCH sites in the southeastern U. S. during 2007. The SEARCH continuous NH 3 instrument uses a citric acid denuder difference technique employing a dual-channel nitric oxide-ozone chemiluminescence analyzer. Data from two SEARCH sites are presented, Jefferson Street, Atlanta (JST) (urban), and Yorkville, Georgia (YRK) (rural), for the period July-December, 2007. Highest NH x (total ammonia = gaseous NH 3 + PM 2.5 NH 4+) values were observed in August and September at both JST and YRK. Highest NH 3 values occurred in August and September at JST, but in August through October at YRK. Lowest NH 3 and NH x values occurred in December at both sites. YRK is significantly impacted by nearby poultry sources, routinely experiencing hourly average NH 3 mixing ratios above 20 ppbv. Wind sector analysis clearly implicates the nearby poultry operations as the source of the high NH 3 values. Weekday versus weekend differences in composite hourly mean diurnal profiles of NH 3 at JST indicate that mobile sources have a measurable but relatively small impact on NH 3 observed at that site, and little or no impact on NH 3 observed at YRK. A distinctive composite mean hourly diurnal variation was observed at both JST and YRK, exhibiting maxima in the morning and evening with a broad minimum during midday. Analysis of observed NH 3 diurnal variations from the literature suggests a hypothesized mechanism for the observed behavior based on interaction of local emissions and dry deposition with the formation and collapse of the dynamically mixed atmospheric boundary layer during the day and shallow nocturnal layer at night. Simple mixed layer concentration box model simulations confirm the plausibility of the suggested mechanism.

  8. NH3 assisted photoreduction and N-doping of graphene oxide for high performance electrode materials in supercapacitors

    NASA Astrophysics Data System (ADS)

    Huang, Haifu; Luo, Guangsheng; Xu, Lianqiang; Lei, Chenglong; Tang, Yanmei; Tang, Shaolong; Du, Youwei

    2015-01-01

    Nitrogen-doped graphene was synthesized by simple photoreduction of graphene oxide (GO) deposited on nickel foam under NH3 atmosphere. The combination of photoreduction and NH3 not only reduces the GO in a shorter time but also induces nitrogen doping easily. The nitrogen doped content of N-rGO@NF reaches a high of 5.99 at% with 15 min of irradiation. The nitrogen-doped graphene deposited on Ni foam (N-rGO@NF) can be directly used as an electrode for supercapacitors, without any conductive agents and polymer binders. In the electrochemical measurement, N-rGO@NF displays remarkable electrochemical performance. In particular, the N-rGO@NF irradiated for 45 min at a high current density of 92.3 A g-1 retained about 77% (190.4 F g-1) of its initial specific capacitance (247.1 F g-1 at 0.31 A g-1). Furthermore, the stable voltage window could be extended to 2.0 and 1.5 V by using Li2SO4 and a mixed Li2SO4/KOH electrolyte, and the maximum energy density was high up to 32.6 and 21.2 Wh kg-1, respectively. The results show that compared to Li2SO4, a mixed electrolyte (Li2SO4/KOH) more efficiently balances the relationship between the high energy densities and high power densities.Nitrogen-doped graphene was synthesized by simple photoreduction of graphene oxide (GO) deposited on nickel foam under NH3 atmosphere. The combination of photoreduction and NH3 not only reduces the GO in a shorter time but also induces nitrogen doping easily. The nitrogen doped content of N-rGO@NF reaches a high of 5.99 at% with 15 min of irradiation. The nitrogen-doped graphene deposited on Ni foam (N-rGO@NF) can be directly used as an electrode for supercapacitors, without any conductive agents and polymer binders. In the electrochemical measurement, N-rGO@NF displays remarkable electrochemical performance. In particular, the N-rGO@NF irradiated for 45 min at a high current density of 92.3 A g-1 retained about 77% (190.4 F g-1) of its initial specific capacitance (247.1 F g-1 at 0.31 A g-1

  9. Selective catalytic reduction of NOx with NH3 over iron-cerium-tungsten mixed oxide catalyst prepared by different methods

    NASA Astrophysics Data System (ADS)

    Xiong, Zhi-bo; Liu, Jing; Zhou, Fei; Liu, Dun-yu; Lu, Wei; Jin, Jing; Ding, Shi-fa

    2017-06-01

    A series of magnetic Fe0.85Ce0.10W0.05Oz catalysts were synthesized by three different methods(Co-precipitation(Fe0.85Ce0.10W0.05Oz-CP), Hydrothermal treatment assistant critic acid sol-gel method(Fe0.85Ce0.10W0.05Oz-HT) and Microwave irradiation assistant critic acid sol-gel method(Fe0.85Ce0.10W0.05Oz-MW)), and the catalytic activity was evaluated for selective catalytic reduction of NO with NH3. The catalyst was characterized by XRD, N2 adsorption-desorption, XPS, H2-TPR and NH3-TPD. Among the tested catalysts, Fe0.85Ce0.10W0.05Oz-MW shows the highest NOx conversion over per gram in unit time with NOx conversion of 60.8% at 350 °C under a high gas hourly space velocity of 1,200,000 ml/(g h). Different from Fe0.85Ce0.10W0.05Oz-CP catalyst, there exists a large of iron oxide crystallite(γ-Fe2O3 and α-Fe2O3) scattered in Fe0.85Ce0.10W0.05Oz catalysts prepared through hydrothermal treatment or microwave irradiation assistant critic acid sol-gel method, and higher iron atomic concentration on their surface. And Fe0.85Ce0.10W0.05Oz-MW shows higher surface absorbed oxygen concentration and better dispersion compared with Fe0.85Ce0.10W0.05Oz-HT catalyst. These features were favorable for the high catalytic performance of NO reduction with NH3 over Fe0.85Ce0.10W0.05Oz-MW catalyst.

  10. Mechanism of N2O formation during the low-temperature selective catalytic reduction of NO with NH3 over Mn-Fe spinel.

    PubMed

    Yang, Shijian; Xiong, Shangchao; Liao, Yong; Xiao, Xin; Qi, Feihong; Peng, Yue; Fu, Yuwu; Shan, Wenpo; Li, Junhua

    2014-09-02

    The mechanism of N2O formation during the low-temperature selective catalytic reduction reaction (SCR) over Mn-Fe spinel was studied. The in situ diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) and transient reaction studies demonstrated that the Eley-Rideal mechanism (i.e., the reaction of adsorbed NH3 species with gaseous NO) and the Langmuir-Hinshelwood mechanism (i.e., the reaction of adsorbed NH3 species with adsorbed NOx species) both contributed to N2O formation. However, N2O selectivity of NO reduction over Mn-Fe spinel through the Langmuir-Hinshelwood mechanism was much less than that through the Eley-Rideal mechanism. The ratio of NO reduction over Mn-Fe spinel through the Langmuir-Hinshelwood mechanism remarkably increased; therefore, N2O selectivity of NO reduction over Mn-Fe spinel decreased with the decrease of the gas hourly space velocity (GHSV). As the gaseous NH3 concentration increased, N2O selectivity of NO reduction over Mn-Fe spinel increased because of the promotion of NO reduction through the Eley-Rideal mechanism. Meanwhile, N2O selectivity of NO reduction over Mn-Fe spinel decreased with the increase of the gaseous NO concentration because the formation of NH on Mn-Fe spinel was restrained. Therefore, N2O selectivity of NO reduction over Mn-Fe spinel was related to the GHSV and concentrations of reactants.

  11. Arctic summertime measurements of ammonia in the near-surface atmosphere

    NASA Astrophysics Data System (ADS)

    Moravek, A.; Murphy, J. G.; Wentworth, G.; Croft, B.; Martin, R.

    2016-12-01

    Measurements of gas-phase ammonia (NH3) in the summertime Arctic are rare, despite the impact NH3 can have on new particle formation rates and nitrogen deposition. The presence of NH3 can also increase the ratio of particulate-phase ammonium (NH4+) to non-sea salt sulphate (nss-SO42-) which decreases particle acidity. Known regional sources of NH3in the Arctic summertime include migratory seabird colonies and northern wildfires, whereas the Arctic Ocean is a net sink. In the summer of 2016, high time resolution measurements were collected in the Arctic to improve our understanding of the sources, sinks and impacts of ammonia in this remote region. A four week study was conducted at Alert, Canada (82.5º N, 62.3 º W) from June 23 to July 19, 2016 to examine the magnitude and sources of NH3 and SO42-. The Ambient Ion Monitor-Ion Chromatography system (AIM-IC) provided on-line, hourly averaged measurements of NH3, NH4+, SO42- and Na+. Measurements of NH3 ranged between 50 and 700 pptv (campaign mean of 240 pptv), consistent with previous studies in the summertime Arctic boundary layer. Levels of NH4+ and nss-SO42- were near or below detection limits ( 20 ng m-3) for the majority of the study. Tundra and lake samples were collected to investigate whether these could be important local sources of NH3 at Alert. These surface samples were analyzed for NH4+, pH and temperature and a compensation point (χ) for each sample was calculated to determine if these surface reservoirs can act as net NH3 sources. Precipitation samples were also collected throughout the study to better constrain our understanding of wet NH4+deposition in the summertime Arctic. From mid-July through August, 2016, NH3 was measured continuously using a laser spectroscopy technique onboard the Canadian Coast Guard Ship Amundsen in the eastern Arctic Ocean. Ocean-atmosphere exchange of NH3 was quantified using measurements of sea surface marine NH4+ concentrations. In addition, wet deposition of

  12. Measures of net oxidant concentration in seawater

    NASA Astrophysics Data System (ADS)

    Jackson, George A.; Williams, Peter M.

    1988-02-01

    Dissolved oxygen deficits in the ocean have been used as a measure of the organic matter oxidized in a volume of water. Such organic matter is usually assumed to be predominantly settled particles. Using dissolved oxygen concentration in this way has two problems: first, it does not differentiate between oxidant consumed by the pool of dissolved organic matter present near the ocean surface and oxidant consumed by organic matter contained by falling particles; second, it does not account for other oxidant sources, such as nitrate, which can be as important to organic matter decay as oxygen in low-oxygen water, such as off Peru or in the Southern California submarine basins. New parameters provide better measures of the net oxidant concentration in a water parcel. One such, NetOx, is changed only by gaseous exchange with the atmosphere, exchange with the benthos, or the production or consumption of sinking particles. A simplified version of NetOx, NetOx = [O2] + 1.25[NO3-] - [TOC], where TOC (total organic carbon), the dissolved organic carbon (DOC) plus the suspended particulate organic carbon (POC), provides an index based on the usually dominant variables. Calculation of NetOx and a second property, NetOC ([O2] - [TOC]), for data from GEOSECS and ourselves in the Atlantic and Pacific oceans using property-property graphs show differences from those from oxygen deficits alone. Comparison of NetOx and NetOC concentrations at high and low latitudes of the Pacific Ocean shows the difference in surface water oxidant concentrations is even larger than the difference in oxygen concentration. Vertical particle fluxes off Peru calculated from NetOx gradients are much greater than those calculated from oxygen gradients. The potential value of NetOx and NetOC as parameters to understand particle fluxes implies that determination of TOC should be a routine part of hydrographic measurements.

  13. Enhanced Structural Stability and Photo Responsiveness of CH3 NH3 SnI3 Perovskite via Pressure-Induced Amorphization and Recrystallization.

    PubMed

    Lü, Xujie; Wang, Yonggang; Stoumpos, Constantinos C; Hu, Qingyang; Guo, Xiaofeng; Chen, Haijie; Yang, Liuxiang; Smith, Jesse S; Yang, Wenge; Zhao, Yusheng; Xu, Hongwu; Kanatzidis, Mercouri G; Jia, Quanxi

    2016-10-01

    An organic-inorganic halide CH3 NH3 SnI3 perovskite with significantly improved structural stability is obtained via pressure-induced amorphization and recrystallization. In situ high-pressure resistance measurements reveal an increased electrical conductivity by 300% in the pressure-treated perovskite. Photocurrent measurements also reveal a substantial enhancement in visible-light responsiveness. The mechanism underlying the enhanced properties is shown to be associated with the pressure-induced structural modification.

  14. Enhanced structural stability and photo responsiveness of CH3NH3SnI3 perovskite via pressure-induced amorphization and recrystallization

    DOE PAGES

    Lu, Xujie; Wang, Yonggang; Stoumpos, Constantinos C.; ...

    2016-10-01

    An organic–inorganic halide CH3NH3SnI3 perovskite with significantly improved structural stability is obtained via pressure-induced amorphization and recrystallization. In situ high-pressure resistance measurements reveal an increased electrical conductivity by 300% in the pressure-treated perovskite. Photocurrent measurements also reveal a substantial enhancement in visible-light responsiveness. In conclusion, the mechanism underlying the enhanced properties is shown to be associated with the pressure-induced structural modification.

  15. Measurement of total organic concentration in water

    NASA Technical Reports Server (NTRS)

    Winkler, E.

    1978-01-01

    Instrument for determining total organic concentration in water uses no corrosive reagents or gases. Instead continuous ultraviolet photolysis process converts organic compounds to carbon dioxide (CO2). CO2 electrode is used to measure CO2 content. Only reagent necessary is oxygen, generated in situ by electrolyzing some water. In addition to application in aerospace industry, system has potential uses in pollution monitoring and in laboratory analyses.

  16. Optical measurement of drug concentrations in tissue

    SciTech Connect

    Mourant, J.R.; Bigio, I.J.; Jack, D.A.; Johnson, T.M.; Miller, H.D.

    1997-10-01

    This is the final report of a one-year, Laboratory Directed Research and Development (LDRD) project at Los Alamos National Laboratory (LANL). The aim of this project was to develop noninvasive fiber-optic methods for measuring drug concentrations in tissue. Such a system would make possible the study of chemotherapy drug kinetics at specific, targeted locations in the body after the drug is administered. The major result of this project is the development of techniques for measuring changes in absorption of a medium with unknown scattering properties. The developed method was verified by testing on several media with scattering properties in the range typically found for tissue.

  17. Porous Anatase TiO2 Thin Films for NH3 Vapour Sensing

    NASA Astrophysics Data System (ADS)

    Ponnusamy, Dhivya; Madanagurusamy, Sridharan

    2015-12-01

    Anatase titanium dioxide (TiO2) thin films were deposited onto cleaned glass substrates by a direct current (DC) reactive magnetron sputtering technique for different deposition times from 10 min to 40 min, which resulted in films of different thicknesses. Characterization techniques, such as x-ray diffraction (XRD) and field emission-scanning electron microscopy (FE-SEM) were used to characterize the structural and morphological properties of the TiO2 thin films. XRD patterns showed the formation of (101) crystal anatase facets. The grain size values of the film increased with increased deposition time, and the films deposited at 40 min exhibited a porous structure. Anatase TiO2 thin films exhibited excellent sensing response, fast response and recovery time, as well as good stability and selectivity towards ammonia (NH3). The enhanced NH3 sensing behavior of anatase TiO2 films is attributed to the porous morphology and oxygen vacancies.

  18. Potential energy surface and bound states of the NH3-Ar and ND3-Ar complexes.

    PubMed

    Loreau, J; Liévin, J; Scribano, Y; van der Avoird, A

    2014-12-14

    A new, four-dimensional potential energy surface for the interaction of NH3 and ND3 with Ar is computed using the coupled-cluster method with single, double, and perturbative triple excitations and large basis sets. The umbrella motion of the ammonia molecule is explicitly taken into account. The bound states of both NH3-Ar and ND3-Ar are calculated on this potential for total angular momentum values from J = 0 to 10, with the inclusion of Coriolis interactions. The energies and splittings of the rovibrational levels are in excellent agreement with the extensive high-resolution spectroscopic data accumulated over the years in the infrared and microwave regions for both complexes, which demonstrates the quality of the potential energy surface.

  19. Observations of NH3 and H2O in the Pelican Nebula hotspot

    NASA Astrophysics Data System (ADS)

    Willson, R. F.; Leblanc, D.; Leblanc, J.

    1983-06-01

    Observations of NH3 and H2O in the direction of the Pelican Nebula hotspot are presented. Observations of the (J, K) = (1, 1) and (2, 2) transitions of NH3 have resolved the cloud into two condensations, each of about 1.2 pc in size. The line velocities vary by about 2 km/sec over the region, although no obvious systematic gradients which would indicate that the cloud is rotating, collapsing or expanding are found. Instead, these velocity differences are interpreted as due to two spatially separated clouds which lie close to one another. An H2O maser was found in the more intense of these peaks which is apparently not associated with any near-infrared emission. The ammonia observations were used to derive rotation temperatures of about 12 K, densities of 500-2500/cu cm and a cloud mass of about 90 solar masses.

  20. Comparison of the biological NH3 removal characteristics among four inorganic packing materials.

    PubMed

    Hirai, M; Kamamoto, M; Yani, M; Shoda, M

    2001-01-01

    Four inorganic packing materials were evaluated in terms of their availability as a packing material of a packed tower deodorization apparatus (biofilter) from the viewpoints of biological NH3 removal characteristics and some physical properties. Porous ceramics (A), calcinated cristobalite (B), calcinated and formed obsidian (C), granulated and calculated soil (D) were used. The superiority of these packing materials determined based on the values of non-biological removal per unit weight or unit volume of packing material, complete removal capacity of NH3 per unit weight of packing material per day or unit volume of packing material per day and pressure drop of the packed bed was in the order of A approximately = C > B > or = D. Packing materials A and C with high porosity, maximum water content, and suitable mean pore diameter showed excellent removal capacity.

  1. Absorption of NH3 on pristine and defected boron nitride nanosheets: A first principle study

    NASA Astrophysics Data System (ADS)

    Li, Hui; Chen, Zheng; Fang, Xiaoliang; Tie, Deyou

    2015-12-01

    Versatile functional groups can be connected to Boron Nitride nanosheet (BNNS) through Lewis acid/base interaction for targeted applications. However, there have been few experimental reports about Lewis acid attack at the N atoms on BNNS, so far as we see. VdW-DFT is employed in this paper to investigate the interaction between NH3 representing Lewis base and pristine or defected BNNS. Comparing the binding energy, separation and charge distribution of NH3 and pristine or defected BNNS systems, the distinctive defect in BNNS is found to be the key role in the absorption progress. Thus, it is supposed that the missing of Lewis acid and BNNS complex can be attributed to the absence of N vacancies and B-edges in BNNS.

  2. On the reaction CH2O + NH3 Yields CH2NH + H2O

    NASA Technical Reports Server (NTRS)

    Walch, Stephen P.; Bauschlicher, Charles W., Jr.; Ricca, Alessandra; Bakes, E. L. O.; Arnold, James (Technical Monitor)

    2000-01-01

    We study the energetics of CH2O + NH3-Yields CH2NH + H2O in the gas phase at the B3LYP and CCSD(T)levels. This reaction is shown to have a sizeable barrier. Ionization of NH3 reduces the barrier to about 5 kcal/mol. We also show that in water, a proton catalyzed mechanism yields no barriers in excess of the reaction endothermicity. Since this reaction has been proposed as one of the steps in interstellar synthesis of glycine, the simplest amino acid, this work suggests that the formation of amino acids is occurring in and/or on interstellar water ice grains, and not in the gas phase.

  3. Electrical and optical properties of Ar/NH3 atmospheric pressure plasma jet

    NASA Astrophysics Data System (ADS)

    Chang, Zheng-Shi; Yao, Cong-Wei; Chen, Si-Le; Zhang, Guan-Jun

    2016-09-01

    Inspired by the Penning effect, we obtain a glow-like plasma jet by mixing ammonia (NH3) into argon (Ar) gas under atmospheric pressure. The basic electrical and optical properties of an atmospheric pressure plasma jet (APPJ) are investigated. It can be seen that the discharge mode transforms from filamentary to glow-like when a little ammonia is added into the pure argon. The electrical and optical analyses contribute to the explanation of this phenomenon. The discharge mode, power, and current density are analyzed to understand the electrical behavior of the APPJ. Meanwhile, the discharge images, APPJ's length, and the components of plasma are also obtained to express its optical characteristics. Finally, we diagnose several parameters, such as gas temperature, electron temperature, and density, as well as the density number of metastable argon atoms of Ar/NH3 APPJ to help judge the usability in its applications.

  4. Room temperature three-photon pumped CH3NH3PbBr3 perovskite microlasers

    NASA Astrophysics Data System (ADS)

    Gao, Yisheng; Wang, Shuai; Huang, Can; Yi, Ningbo; Wang, Kaiyang; Xiao, Shumin; Song, Qinghai

    2017-03-01

    Hybrid lead halide perovskites have made great strides in next-generation light-harvesting and light emitting devices. Recently, they have also shown great potentials in nonlinear optical materials. Two-photon absorption and two-photon light emission have been thoroughly studied in past two years. However, the three-photon processes are rarely explored, especially for the laser emissions. Here we synthesized high quality CH3NH3PbBr3 perovskite microstructures with solution processed precipitation method and studied their optical properties. When the microstructures are pumped with intense 1240 nm lasers, we have observed clear optical limit effect and the band-to-band photoluminescence at 540 nm. By increasing the pumping density, whispering-gallery-mode based microlasers have been achieved from CH3NH3PbBr3 perovskite microplate and microrod for the first time. This work demonstrates the potentials of hybrid lead halide perovskites in nonlinear photonic devices.

  5. Room temperature three-photon pumped CH3NH3PbBr3 perovskite microlasers.

    PubMed

    Gao, Yisheng; Wang, Shuai; Huang, Can; Yi, Ningbo; Wang, Kaiyang; Xiao, Shumin; Song, Qinghai

    2017-03-28

    Hybrid lead halide perovskites have made great strides in next-generation light-harvesting and light emitting devices. Recently, they have also shown great potentials in nonlinear optical materials. Two-photon absorption and two-photon light emission have been thoroughly studied in past two years. However, the three-photon processes are rarely explored, especially for the laser emissions. Here we synthesized high quality CH3NH3PbBr3 perovskite microstructures with solution processed precipitation method and studied their optical properties. When the microstructures are pumped with intense 1240 nm lasers, we have observed clear optical limit effect and the band-to-band photoluminescence at 540 nm. By increasing the pumping density, whispering-gallery-mode based microlasers have been achieved from CH3NH3PbBr3 perovskite microplate and microrod for the first time. This work demonstrates the potentials of hybrid lead halide perovskites in nonlinear photonic devices.

  6. Electronic Structure of TiO2/CH3NH3PbI3 Perovskite Solar Cell Interfaces.

    PubMed

    Lindblad, Rebecka; Bi, Dongqin; Park, Byung-Wook; Oscarsson, Johan; Gorgoi, Mihaela; Siegbahn, Hans; Odelius, Michael; Johansson, Erik M J; Rensmo, Håkan

    2014-02-20

    The electronic structure and chemical composition of efficient CH3NH3PbI3 perovskite solar cell materials deposited onto mesoporous TiO2 were studied using photoelectron spectroscopy with hard X-rays. With this technique, it is possible to directly measure the occupied energy levels of the perovskite as well as the TiO2 buried beneath and thereby determine the energy level matching of the interface. The measurements of the valence levels were in good agreement with simulated density of states, and the investigation gives information on the character of the valence levels. We also show that two different deposition techniques give results indicating similar electronic structures.

  7. Photovoltaic performance and the energy landscape of CH3NH3PbI3.

    PubMed

    Zhou, Yecheng; Huang, Fuzhi; Cheng, Yi-Bing; Gray-Weale, Angus

    2015-09-21

    Photovoltaic cells with absorbing layers of certain perovskites have power conversion efficiencies up to 20%. Among these materials, CH3NH3PbI3 is widely used. Here we use density-functional theory to calculate the energies and rotational energy barriers of a methylammonium ion in the α or β phase of CH3NH3PbI3 with differently oriented neighbouring methylammonium ions. Our results suggest the methylammonium ions in CH3NH3PbI3 prefer to rotate collectively, and to be parallel to their neighbours. Changes in polarization on rotation of methylammonium ions are two to three times larger than those on relaxation of the lead ion from the centre of its coordination shell. The preferences for parallel configuration and concerted rotation, with the polarisation changes, are consistent with ferroelectricity in the material, and indicate that this polarisation is governed by methylammonium orientational correlations. We show that the field due to this polarisation is strong enough to screen the field hindering charge transport, and find this screening field in agreement with experiment. We examine two possible mechanisms for the effect of methylammonium ion rotation on photovoltaic performance. One is that rearrangement of methylammoniums promotes the creation and transport of charge carriers. Some effective masses change greatly, but changes in band structure with methylammonium rotation are not large enough to explain current-voltage hysteresis behaviour. The second possible mechanism is that polarization screens the hindering electric field, which arises from charge accumulation in the transport layers. Polarization changes on methylammonium rotation favour this second mechanism, suggesting that collective reorientation of methylammonium ions in the bulk crystal are in significant part responsible for the hysteresis and power conversion characteristics of CH3NH3PbI3 photovoltaic cells.

  8. Thermodynamic properties of ferroelectric NH3CH2COOH·H2PO3 crystal

    NASA Astrophysics Data System (ADS)

    Zachek, I. R.; Shchur, Ya.; Levitskii, R. R.; Vdovych, A. S.

    2017-09-01

    Using a modified microscopic model of NH3CH2COOH·H2PO3 by taking into account piezoelectric coupling with strains εi, ε4, ε5 and ε6 in two-particle cluster approximation, the temperature dependence of polarization and tensor of static dielectric permittivity of mechanically clamped and free crystal, their piezoelectric characteristics, elastic constants and heat capacity are calculated.

  9. On the NH3 absorption depression observable at Northern low latitudes of Jupiter

    NASA Astrophysics Data System (ADS)

    Tejfel, Victor G.; Vdovichenko, Vladimir D.; Lysenko, Peter G.; Karimov, Alibek M.; Kirienko, Galina A.; Bondarenko, Natalya N.; Kharitonova, Galina

    2016-10-01

    From February to April of 2016, we carried out a special series of spectrophotometric observations of Jupiter to study the current behavior of the ammonia absorption at the low latitudes of the Northern hemisphere, where in 2004 we have found a well-defined depression of the 787 nm NH3 absorption band intensity (V.Tejfel et al., Bull.AAS, 2005, Vol. 37, p.682). In subsequent years, an existence of this depression was annually confirmed by spectral observations, although we were noticing its variable character. During observations of 2016 we obtained more than 2,500 CCD-spectrograms, including the spectra of the central meridian, the GRS, and 12 scans of Jovian disk on different dates (70 zonal spectra in each scan). The 787 nm NH3 absorption band was extracted with using of ratios of the Jovian spectra to the Saturn's disk spectrum that was taken as a reference. The depression of absorption in this band begins almost from the equator, and its maximum occurs at the planetographic latitude of 100N then the absorption increases again approaching to the latitude of 200N. The equivalent bandwidths corresponding to these latitudes are equal to 18.7 ± 1.4 A, 14.4 ± 1.0 A and 17.8 ± 0.8A. The 645 nm NH3 absorption band also shows depletion at the low latitudes of the Northern hemisphere, but it is less pronounced. At the temperate latitudes of the Northern hemisphere this band's absorption is systematically lower than the Southern Hemisphere's ones. We will continue research in this direction, especially because recently a significant depletion of gaseous NH3 has also been found with using of the VLA with high resolution (I. de Pater et al., Science, 2016, Vol. 352, Issue 6290, p.1290-1294) at the low latitudes of the Northern hemisphere in the region of the NEB.

  10. Role of NH3 and NH4+ transporters in renal acid-base transport

    PubMed Central

    Verlander, Jill W.

    2011-01-01

    Renal ammonia excretion is the predominant component of renal net acid excretion. The majority of ammonia excretion is produced in the kidney and then undergoes regulated transport in a number of renal epithelial segments. Recent findings have substantially altered our understanding of renal ammonia transport. In particular, the classic model of passive, diffusive NH3 movement coupled with NH4+ “trapping” is being replaced by a model in which specific proteins mediate regulated transport of NH3 and NH4+ across plasma membranes. In the proximal tubule, the apical Na+/H+ exchanger, NHE-3, is a major mechanism of preferential NH4+ secretion. In the thick ascending limb of Henle's loop, the apical Na+-K+-2Cl− cotransporter, NKCC2, is a major contributor to ammonia reabsorption and the basolateral Na+/H+ exchanger, NHE-4, appears to be important for basolateral NH4+ exit. The collecting duct is a major site for renal ammonia secretion, involving parallel H+ secretion and NH3 secretion. The Rhesus glycoproteins, Rh B Glycoprotein (Rhbg) and Rh C Glycoprotein (Rhcg), are recently recognized ammonia transporters in the distal tubule and collecting duct. Rhcg is present in both the apical and basolateral plasma membrane, is expressed in parallel with renal ammonia excretion, and mediates a critical role in renal ammonia excretion and collecting duct ammonia transport. Rhbg is expressed specifically in the basolateral plasma membrane, and its role in renal acid-base homeostasis is controversial. In the inner medullary collecting duct (IMCD), basolateral Na+-K+-ATPase enables active basolateral NH4+ uptake. In addition to these proteins, several other proteins also contribute to renal NH3/NH4+ transport. The role and mechanisms of these proteins are discussed in depth in this review. PMID:21048022

  11. Diagnosing shock temperature with NH3 and H2O profiles

    NASA Astrophysics Data System (ADS)

    Gómez-Ruiz, A. I.; Codella, C.; Viti, S.; Jiménez-Serra, I.; Navarra, G.; Bachiller, R.; Caselli, P.; Fuente, A.; Gusdorf, A.; Lefloch, B.; Lorenzani, A.; Nisini, B.

    2016-10-01

    In a previous study of the L1157 B1 shocked cavity, a comparison between NH3(10-00) and H2O(110-101) transitions showed a striking difference in the profiles, with H2O emitting at definitely higher velocities. This behaviour was explained as a result of the high-temperature gas-phase chemistry occurring in the post-shock gas in the B1 cavity of this outflow. If the differences in behaviour between ammonia and water are indeed a consequence of the high gas temperatures reached during the passage of a shock, then one should find such differences to be ubiquitous among chemically rich outflows. In order to determine whether the difference in profiles observed between NH3 and H2O is unique to L1157 or a common characteristic of chemically rich outflows, we have performed Herschel-HIFI observations of the NH3(10-00) line at 572.5 GHz in a sample of eight bright low-mass outflow spots already observed in the H2O(110-101) line within the Water In Star-forming regions with Herschel Key Programme. We detected the ammonia emission at high velocities at most of the outflows positions. In all cases, the water emission reaches higher velocities than NH3, proving that this behaviour is not exclusive of the L1157-B1 position. Comparisons with a gas-grain chemical and shock model confirms, for this larger sample, that the behaviour of ammonia is determined principally by the temperature of the gas.

  12. Ultraviolet-gas phase and -photocatalytic synthesis from CO and NH3.

    PubMed

    Hubbard, J S; Voecks, G E; Hobby, G L

    1975-08-05

    The major photoproduct obtained on irradiation of gaseous NH3 and CO mixtures is ammonium cyanate; lesser amounts of urea, biurea, biuret semi-carbazide, formamide and cyanide were observed. The formation of the major gas phase photolysis product may be rationalized by the following reaction sequence: (see article). Urea is probably formed from NH4NCO in a thermal reaction while formamide may result from the disproportionation of NH2CO. Photocatalytic syntheses of 14C-urea, -formamide, and -formadehyde are effected by irradiation of 14CO and NH3 in the presence of Vycor, silica gel, or volcanic ash shale surfaces. These syntheses are catalyzed by ultraviolet wavelengths longer than those absorbed by the gaseous reactants. The syntheses are also effected when the surface material is first irradiated in the presence of CO followed by a dark incubation with NH3. Apparently, the initiating step is a light dependent formation of a reactive form of CO on the surface. A discussion is given on the possible contribution of these reactions to the abiotic synthesis of organic nitrogen compounds on Mars, on the primitive Earth and in interstellar space.

  13. Optimization of H2 Production in Ar/NH3 Micro-discharges

    NASA Astrophysics Data System (ADS)

    Arakoni, Ramesh; Bhoj, Ananth N.; Kushner, Mark J.

    2006-10-01

    Hydrogen powered vehicles and portable fuel cells may require real-time generation of H2 to provide fuel safely and with rapid response. One such method is to produce H2 from feedstock gases that can be more safely stored, such as NH3. Microdischarge plasmas are being investigated as a means of H2 production from NH3 and other gases. The high power densities (10s kW/cm^3) that can be obtained in microdischarges provide an intense source of electron impact as well as thermal decomposition of the feedstock gases. By operating at high pressures (> 100s Torr), reformation of the dissociated products leads to efficient production of H2. In this work, results from a computational investigation of production of H2 in high pressure microdischarges sustained in Ar/NH3 mixtures will be discussed. Plug-flow and 2-dimensional plasma hydrodynamics models were used to develop scaling laws to optimize the energy efficiency of the process (e.g., eV/H2 molecule produced). The 2-d model resolves non-equilibrium electron, ion and neutral transport using fluid equations. The microdischarge geometry of interest is a sandwich flow-through reactor with a central hole a few hundred microns in diameter, power of a few W and residence times of a few microseconds.

  14. VizieR Online Data Catalog: MSX high-contrast IRDCs with NH3 (Chira+,

    NASA Astrophysics Data System (ADS)

    Chira, R.-A.; Beuther, H.; Linz, H.; Walmsley, C. M.; Menten, K. M.; Bonfman, L.

    2013-02-01

    Based on MSX data, a catalogue of more than 10,000 candidate IRDCs was compiled. From this catalogue we selected a complete sample of northern hemisphere high-contrast IRDCs with Galactic longitudes >=19.27° (and nine exceptions with Galactic longitudes <19°). The sample was observed in ammonia (1,1) and (2,2) inversion transitions with the Effelsberg 100-m telescope. NH3 parameters are derived for 109 sample sources. For each source galactic coordinates, brightness temperatures, line width FWHMs and optical depths of (1,1) and (2,2) inversion lines and LSR velocity of (1,1) inversion line are given. Furthermore, we derived the rotation and kinetic temperatures, ammonia column densities, kinematic distances and virial masses using the NH3 data. In addition, notes about whether the sources being associated with Spitzer sources or not are given. Using ATLASGAL data, the 870 micron flux densities gas masses, virial parameters, H2 column densities and NH3 abundances are given. In addition, we listed the sample sources where no ammonia which did not fulfil our selection criteria. (4 data files).

  15. Electrically tuned Förster resonances in collisions of NH3 with Rydberg He atoms

    NASA Astrophysics Data System (ADS)

    Zhelyazkova, V.; Hogan, S. D.

    2017-04-01

    The effects of weak electric fields on resonant energy transfer between NH3 in the X 1A1 ground electronic state and Rydberg He atoms in triplet states with principal quantum numbers n =36 -41 have been studied in a crossed-beam apparatus. For these values of n , electric dipole transitions between the Rydberg states that evolve adiabatically to the |n s > and |n p > states in zero electric field can be tuned into resonance with the ground-state inversion transitions in NH3 using electric fields, with energy transfer occurring via Förster resonance. In the experiments the Rydberg He atoms, traveling in pulsed supersonic beams, were prepared by resonant two-photon excitation from the metastable 1 s 2 s 3S1 level and crossed an effusive beam of NH3 before being detected by state-selective pulsed-electric-field ionization. The resonant-energy-transfer process was identified by monitoring changes in the ionization signal from the |n s > and |n p > Rydberg states for each value of n . The electric-field dependence of the experimental data is in good agreement with the results of calculations in which the resonant dipole-dipole coupling between the collision partners was accounted for.

  16. Observation of orbiting resonances in He(3S1) + NH3 Penning ionization

    NASA Astrophysics Data System (ADS)

    Jankunas, Justin; Jachymski, Krzysztof; Hapka, Michał; Osterwalder, Andreas

    2015-04-01

    Resonances are among the clearest quantum mechanical signatures of scattering processes. Previously, shape resonances and Feshbach resonances have been observed in inelastic and reactive collisions involving atoms or diatomic molecules. Structure in the integral cross section has been observed in a handful of elastic collisions involving polyatomic molecules. The present paper presents the observation of shape resonances in the reactive scattering of a polyatomic molecule, NH3. A merged-beam study of the gas phase He(3S1) + NH3 Penning ionization reaction dynamics is described in the collision energy range 3.3 μeV < Ecoll < 10 meV. In this energy range, the reaction rate is governed by long-range attraction. Peaks in the integral cross section are observed at collision energies of 1.8 meV and 7.3 meV and are assigned to ℓ = 15,16 and ℓ = 20,21 partial wave resonances, respectively. The experimental results are well reproduced by theoretical calculations with the short-range reaction probability Psr = 0.035. No clear signature of the orbiting resonances is visible in the branching ratio between NH3+ and NH2+ formation.

  17. Effect of organic chain length on structure, electronic composition, lattice potential energy, and optical properties of 2D hybrid perovskites [(NH3)(CH2) n (NH3)]CuCl4, n = 2-9

    NASA Astrophysics Data System (ADS)

    Abdel-Aal, Seham K.; Kocher-Oberlehner, Gudrun; Ionov, Andrei; Mozhchil, R. N.

    2017-08-01

    Diammonium series of Cu hybrid perovskites of the formula [(NH3)(CH2) n (NH3)]CuCl4, n = 6-9 are prepared from an ethanolic solution in stoichiometric ratio 1:1 (organic/inorganic). Formation of the desired material was confirmed and characterizes by microchemical analysis, FTIR, XRD and XPS spectra. The structure consists of corner-shared octahedron [CuCl4]2- anion alternative by organic [(NH3)(CH2) n (NH3)]2+ cations. The organic and inorganic layers form infinite 2D sheet that are connected via NH···Cl hydrogen bond. The calculated lattice potential energy U pot (kJ/mol) and lattice enthalpy Δ H L (kJ/mol) are inversely proportional to the molecular volume V m (nm3) and organic chain length. Optical properties show strong absorption peak at UV-visible range. The band gap energy calculated using Kubelka-Munk equation shows the decrease of the energy gap as organic chain length increases. The introduction of bromide ion to [(NH3)(CH2) n (NH3)]CuCl2Br2 denoted 2C7CuCB hybrid has shifted the energy gap to lower values from 2.6 to 2.18 eV for 2C7CuCl (yellow) and 2C7CuCB (brown), respectively, at the same organic chain length. All elements of [(NH3)(CH2)9(NH3)]CuCl4 and [(NH3)(CH2)7(NH3)]CuCl2Br2 were found in XPS spectra, as well as valence band spectra.

  18. Extreme anisotropy and anomalous transport properties of heavily electron doped Lix(NH3)yFe2Se2 single crystals

    NASA Astrophysics Data System (ADS)

    Sun, Shanshan; Wang, Shaohua; Yu, Rong; Lei, Hechang

    2017-08-01

    We report the growth of heavily electron doped Li-NH3 intercalated FeSe single crystals that are free of material complexities and allow access to the intrinsic superconducting properties. Lix(NH3)yFe2Se2 single crystals show extremely large electronic anisotropy in both normal and superconducting states. They also exhibit anomalous transport properties in the normal state, which are believed to possibly be related to the anisotropy of relaxation time and/or temperature-dependent electron carrier concentration. Taking into account the great chemical flexibility of intercalants in the system, our findings provide a platform to understanding the origin of superconductivity in FeSe-related superconductors.

  19. Effect of ultrasound on the morphology of the CaCO3 precipitated from CaSO4-NH3-CO2-H2O system

    NASA Astrophysics Data System (ADS)

    Cheng, Huaigang; Wang, Xin; Wang, Bo; Zhao, Jing; Liu, Yong; Cheng, Fangqin

    2017-07-01

    Micron-grade calcium carbonate (CaCO3) crystals are by-products in the preparation of (NH4)2SO4 fertilizer using CaSO4·2H2O, NH3, and CO2. Since ultrasound can make crystals smaller and their morphology quite complex, the morphological change rules need to be studied to make meaningful use of them. In the present work, the morphologies of CaCO3 crystals precipitated from the ultrasound CaSO4-NH3-CO2-H2O system were analyzed in different conditions. It was found that ultrasound can make the crystals smaller in nucleation or the early growth stage, or it can make the shapes diversified and dispersed by influencing the solution property and in the aging process. In an ultrasound environment, crystals may be square, spheroidal, ellipsoidal, pisciform (spindle), hexagonal, carambola-like, or scattered particles. High-concentrations of NH3 and CO2 facilitate CaCO3 crystals becoming smooth balls, while high-intensity ultrasound and a high-concentration of foreign Na+ ions help to turn CaCO3 into tiny square particles or a clustered aggregate of tiny particles with rough surfaces.

  20. Effect of fluorine additive on CeO2(ZrO2)/TiO2 for selective catalytic reduction of NO by NH3.

    PubMed

    Jin, Qijie; Shen, Yuesong; Zhu, Shemin

    2017-02-01

    A series of CeO2(ZrO2)/TiO2 catalysts with fluorine additive were prepared by impregnation method and tested for selective catalytic reduction (SCR) of NO by NH3. These samples were characterized by XRD, N2-BET, Raman spectra, SEM, TEM, NH3-TPD, H2-TPR and XPS, respectively. Results showed that the optimal catalyst with the appropriate HF exhibited excellent performance for NH3-SCR and more than 96% NO conversion at 360°C under GHSV of 71,400h(-1). It was found that the grain size of TiO2 increased and the specific surface area reduced with the modulation of HF, which was not good for the adsorption of gas molecule. However, the modulation of HF exposed the high energy (001) facets of TiO2 and increased the surface chemisorbed oxygen concentration, oxygen storage capacity and Ce(3+) concentration of catalyst. In addition, the synergy of (101) and (001) facets was beneficial to the improvement of catalytic activity.

  1. Projections of NH3 emissions from manure generated by livestock production in China to 2030 under six mitigation scenarios.

    PubMed

    Xu, Peng; Koloutsou-Vakakis, Sotiria; Rood, Mark J; Luan, Shengji

    2017-12-31

    China's rapid urbanization, large population, and increasing consumption of calorie-and meat-intensive diets, have resulted in China becoming the world's largest source of ammonia (NH3) emissions from livestock production. This is the first study to use provincial, condition-specific emission factors based on most recently available studies on Chinese manure management and environmental conditions. The estimated NH3 emission temporal trends and spatial patterns are interpreted in relation to government policies affecting livestock production. Scenario analysis is used to project emissions and estimate mitigation potential of NH3 emissions, to year 2030. We produce a 1km×1km gridded NH3 emission inventory for 2008 based on county-level activity data, which can help identify locations of highest NH3 emissions. The total NH3 emissions from manure generated by livestock production in 2008 were 7.3TgNH3·yr(-1) (interquartile range from 6.1 to 8.6TgNH3·yr(-1)), and the major sources were poultry (29.9%), pigs (28.4%), other cattle (27.9%), and dairy cattle (7.0%), while sheep and goats (3.6%), donkeys (1.3%), horses (1.2%), and mules (0.7%) had smaller contributions. From 1978 to 2008, annual NH3 emissions fluctuated with two peaks (1996 and 2006), and total emissions increased from 2.2 to 7.3Tg·yr(-1) increasing on average 4.4%·yr(-1). Under a business-as-usual (BAU) scenario, NH3 emissions in 2030 are expected to be 13.9TgNH3·yr(-1) (11.5-16.3TgNH3·yr(-1)). Under mitigation scenarios, the projected emissions could be reduced by 18.9-37.3% compared to 2030 BAU emissions. This study improves our understanding of NH3 emissions from livestock production, which is needed to guide stakeholders and policymakers to make well informed mitigation decisions for NH3 emissions from livestock production at the country and regional levels. Copyright © 2017 Elsevier B.V. All rights reserved.

  2. Metal-catalyzed anaerobic disproportionation of hydroxylamine. Role of diazene and nitroxyl intermediates in the formation of N2, N2O, NO+, and NH3.

    PubMed

    Alluisetti, Graciela E; Almaraz, Alejandra E; Amorebieta, Valentín T; Doctorovich, Fabio; Olabe, José A

    2004-10-20

    The catalytic disproportionation of NH(2)OH has been studied in anaerobic aqueous solution, pH 6-9.3, at 25.0 degrees C, with Na(3)[Fe(CN)(5)NH(3)].3H(2)O as a precursor of the catalyst, [Fe(II)(CN)(5)H(2)