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Sample records for adsorption energy distribution

  1. A site energy distribution function from Toth isotherm for adsorption of gases on heterogeneous surfaces.

    PubMed

    Kumar, K Vasanth; de Castro, M Monteiro; Martinez-Escandell, M; Molina-Sabio, M; Rodriguez-Reinoso, F

    2011-04-01

    A site energy distribution function based on a condensation approximation method is proposed for gas-phase adsorption systems following the Toth isotherm. The proposed model is successfully applied to estimate the site energy distribution of three pitch-based activated carbons (PA, PFeA and PBA) developed in our laboratory and also for other common adsorbent materials for different gas molecules. According to the proposed model the site energy distribution curves of the activated carbons are found to be exponential for hydrogen at 77 K. The site energy distribution of some of the activated carbon fibers, ambersorb, Dowex optipore, 13X Zeolite for different adsorbate molecules represents a quasi-Gaussian curve with a widened left hand side, indicating that most sites have adsorption energies lower than a statistical mean value.

  2. Adsorption on heterogeneous surfaces: site energy distribution functions from Fritz-Schlüender isotherms.

    PubMed

    Kumar, Kannuchamy Vasanth; Monteiro de Castro, Mateus Carvalho; Martinez-Escandell, Manuel; Molina-Sabio, Miguel; Rodriguez-Reinoso, Francisco

    2010-08-23

    Different site energy distribution functions based on the condensation approximation method are proposed for the liquid-phase or gas-phase adsorption equilibrium data following the Fritz-Schlüender isotherm. Energy distribution functions for the four limiting cases of the Fritz-Schlüender isotherm are also discussed. The proposed models are successfully applied to the experimental equilibrium data of nitrogen molecules at 77 K on a pitch-based activated carbon (PA) and a pitch-based activated carbon containing boron (PBA). An energy distribution function based on FS isotherm containing five parameters suggest a unimodal distribution of binding sites for carbon PA, the binding site energies being distributed as exponential or unimodal, depending on the pressure, in the case of carbon PBA. The advantages of the proposed models are discussed.

  3. Effect of charge distribution on RDX adsorption in IRMOF-10

    SciTech Connect

    Xiong, Ruichang; Keffer, David J.; Fuentes-Cabrera, Miguel A; Nicholson, Don M; Michalkova, Andrea; Petrova, Tetyana; Leszczynski, Jerzy; Odbadrakh, Khorgolkhuu; Doss, Bryant; Lewis, James

    2010-01-01

    Quantum mechanical (QM) calculations, classical grand canonical Monte Carlo (GCMC) simulations, and classical molecular dynamics (MD) simulations are performed to test the effect of charge distribution on hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) adsorption and diffusion in IRMOF-10. Several different methods for mapping QM electron distributions onto atomic point charges are explored, including the electrostatic potential (ESP) method, Mulliken population analysis, L{sub 0}wdin population analysis, and natural bond orbital analysis. Classical GCMC and MD simulations of RDX in IRMOF-10 are performed using 15 combinations of charge sources of RDX and IRMOF-10. As the charge distributions vary, interaction potential energies, the adsorption loading, and the self-diffusivities are significantly different. None of the 15 combinations are able to quantitatively capture the dependence of the energy of adsorption on local configuration of RDX as observed in the QM calculations. We observe changes in the charge distributions of RDX and IRMOF-10 with the introduction of an RDX molecule into the cage. We also observe a large dispersion contribution to the interaction energy from QM calculations that is not reproduced in the classical simulations, indicating that the source of discrepancy may not lie exclusively with the assignment of charges.

  4. Adsorption energies and prefactor determination for CH3OH adsorption on graphite.

    PubMed

    Doronin, M; Bertin, M; Michaut, X; Philippe, L; Fillion, J-H

    2015-08-28

    In this paper, we have studied adsorption and thermal desorption of methanol CH3OH on graphite surface, with the specific aim to derive from experimental data quantitative parameters that govern the desorption, namely, adsorption energy Eads and prefactor ν of the Polanyi-Wigner law. In low coverage regime, these two values are interconnected and usually the experiments can be reproduced with any couple (Eads, ν), which makes intercomparison between studies difficult since the results depend on the extraction method. Here, we use a method for determining independently the average adsorption energy and a prefactor value that works over a large range of incident methanol coverage, from a limited set of desorption curves performed at different heating rates. In the low coverage regime the procedure is based on a first order kinetic law, and considers an adsorption energy distribution which is not expected to vary with the applied heating rate. In the case of CH3OH multilayers, Eads is determined as 430 meV with a prefactor of 5 × 10(14) s(-1). For CH3OH submonolayers on graphite, adsorption energy of 470 ± 30 meV and a prefactor of (8 ± 3) × 10(16) s(-1) have been found. These last values, which do not change between 0.09 ML and 1 ML initial coverage, suggest that the methanol molecules form island-like structure on the graphite even at low coverage.

  5. Cesium adsorption and distribution onto crushed granite under different physicochemical conditions.

    PubMed

    Tsai, Shih-Chin; Wang, Tsing-Hai; Li, Ming-Hsu; Wei, Yuan-Yaw; Teng, Shi-Ping

    2009-01-30

    The adsorption of cesium onto crushed granite was investigated under different physicochemical conditions including contact time, Cs loading, ionic strength and temperature. In addition, the distribution of adsorbed Cs was examined by X-ray diffraction (XRD) and EDS mapping techniques. The results showed that Cs adsorption to crushed granite behaved as a first-order reaction with nice regression coefficients (R(2) > or = 0.971). Both Freundlich and Langmuir models were applicable to describe the adsorption. The maximum sorption capacity determined by Langmuir model was 80 micromol g(-1) at 25 degrees C and 10 micromol g(-1) at 55 degrees C. The reduced sorption capacity at high temperature was related to the partial enhancement of desorption from granite surface. In general, Cs adsorption was exothermic (DeltaH<0, with median of -12 kJ mol(-1)) and spontaneous (DeltaG<0, with median of -6.1 at 25 degrees C and -5.0 kJ mol(-1) at 55 degrees C). The presence of competing cations such as sodium and potassium ions in synthetic groundwater significantly reduces the Cs adsorption onto granite. The scanning electron microscopy-energy dispersive X-ray spectroscopy (SEM/EDS) mapping method provided substantial evidences that micaceous minerals (biotite in this case) dominate Cs adsorption. These adsorbed Cs ions were notably distributed onto the frayed edges of biotite minerals. More importantly, the locations of these adsorbed Cs were coincided with the potassium depletion area, implying the displacement of K by Cs adsorption. Further XRD patterns displayed a decreased intensity of signal of biotite as the Cs loading increased, revealing that the interlayer space of biotite was affected by Cs adsorption.

  6. Pore size distribution and supercritical hydrogen adsorption in activated carbon fibers.

    PubMed

    Purewal, J J; Kabbour, H; Vajo, J J; Ahn, C C; Fultz, B

    2009-05-20

    Pore size distributions (PSD) and supercritical H2 isotherms have been measured for two activated carbon fiber (ACF) samples. The surface area and the PSD both depend on the degree of activation to which the ACF has been exposed. The low-surface-area ACF has a narrow PSD centered at 0.5 nm, while the high-surface-area ACF has a broad distribution of pore widths between 0.5 and 2 nm. The H2 adsorption enthalpy in the zero-coverage limit depends on the relative abundance of the smallest pores relative to the larger pores. Measurements of the H2 isosteric adsorption enthalpy indicate the presence of energy heterogeneity in both ACF samples. Additional measurements on a microporous, coconut-derived activated carbon are presented for reference.

  7. Computation of Adsorption Energies of Some Interstellar Species

    NASA Astrophysics Data System (ADS)

    Sil, Milan; Chakrabarti, Sandip Kumar; Das, Ankan; Majumdar, Liton; Gorai, Prasanta; Etim, Emmanuel; Arunan, Elangannan

    2016-07-01

    Adsorption energies of surface species are most crucial for chemical complexity of interstellar grain mantle. Aim of this work is to study the variation of the adsorption energies depending upon the nature of adsorbent. We use silicate and carbonaceous grains for the absorbents. For silicate grains, we use very simple crystalline ones, namely, Enstatite (MgSiO_3)_n, Ferrosilite (FeSiO_3)_n, Forsterite (Mg_2SiO_4)_n and Fayalite (Fe_2SiO_4)_n. We use n=1, 2, 4, 8 to study the variation of adsorption energies with the increase in cluster size. For carbonaceous grain, we use Coronene (polyaromatic hydrocarbon surface). Adsorption energy of all these species are calculated by means of quantum chemical calculation using self consistent density functional theory (DFT). MPWB1K hybrid meta-functional is employed since it has been proven useful to study the systems with weak interactions such as van der Waals interactions. Optimization are also carried out with MPWB1K/6-311g(d) and MPWB1K/6311g(d,p) and a comparison of adsorption energies are discussed for these two different basis sets. We use crystalline structure of the adsorbent. The adsorbate is placed in the different site of the grain with a suitable distance. The energy of adsorption for a species on the grain surface is defined as follows: E_a_d_s = E_s_s - (E_s_u_r_f_a_c_e + E_s_p_e_c_i_e_s), where E_a_d_s is the adsorption energy, E_s_s is the optimized energy for species placed in a suitable distance from the grain surface, E_s_u_r_f_a_c_e and E_s_p_e_c_i_e_s respectively are the optimized energies of the surface and species separately.

  8. Plasma Sheet Energy Distributions

    NASA Astrophysics Data System (ADS)

    Sotirelis, T.; Lee, A. R.; Newell, P. T.

    2009-12-01

    Energy spectra of electrons and ions, as observed by DMSP, are fit to various distributions. The goal is to characterize the inner edge of the plasma sheet, so the focus is on large scale plasma sheet properties. Lower energy electron populations are ignored as they appear to be small-scale transients. Maxwellian, kappa and power-law distributed spectra are considered. Non-thermal ion distributions appear with greater frequency than anticipated. In order to be thermally distributed the differential energy flux must rise with a slope of ~2 toward a peak, after which the flux should fall sharply. The figure shows an apparently non-thermal ion distribution, together with a Maxwellian fit. The results from fits for one full year are presented.

  9. Phenolic resin-based porous carbons for adsorption and energy storage applications

    NASA Astrophysics Data System (ADS)

    Wickramaratne, Nilantha P.

    The main objective of this dissertation research is to develop phenolic resin based carbon materials for range of applications by soft-templating and Stober-like synthesis strategies. Applications Studied in this dissertation are adsorption of CO2, bio-molecular and heavy metal ions, and energy storage devices. Based on that, our goal is to design carbon materials with desired pore structure, high surface area, graphitic domains, incorporated metal nanoparticles, and specific organic groups and heteroatoms. In this dissertation the organic-organic self-assembly of phenolic resins and triblock copolymers under acidic conditions will be used to obtain mesoporous carbons/carbon composites and Stober-like synthesis involving phenolic resins under basic condition will be used to prepare polymer/carbon particles and their composites. The structure of this dissertation consists of an introductory chapter (Chapter 1) discussing the general synthesis of carbon materials, particularly the soft-templating strategy and Stober-like carbon synthesis. Also, Chapter 1 includes a brief outline of applications namely adsorption of CO2, biomolecule and heavy metal ions, and supercapacitors. Chapter 2 discusses the techniques used for characterization of the carbon materials studied. This chapter starts with nitrogen adsorption analysis, which is used to measure the specific surface area, pore volume, distribution of pore sizes, and pore width. In addition to nitrogen adsorption, powder X-ray diffraction (XRD), transmission electron microscopy (TEM), high resolution thermogravimetric analysis (HR-TGA), cyclic voltammetry (CV) and CHNS elemental analysis (EA) are mentioned too. Chapter 3 is focused on carbon materials for CO2 adsorption. There are different types of porous solid materials such as silicate, MOFs, carbons, and zeolites studied for CO2 adsorption. However, the carbon based materials are considered to be the best candidates for CO 2 adsorption to the industrial point of

  10. Influence of pore size distribution on the adsorption of phenol on PET-based activated carbons.

    PubMed

    Lorenc-Grabowska, Ewa; Diez, María A; Gryglewicz, Grazyna

    2016-05-01

    The role of pore size distribution in the adsorption of phenol in aqueous solutions on polyethylene terephthalate (PET)-based activated carbons (ACs) has been analyzed. The ACs were prepared from PET and mixtures of PET with coal-tar pitch (CTP) by means of carbonization and subsequent steam and carbon dioxide activation at 850 and 950 °C, respectively. The resultant ACs were characterized on the basis of similarities in their surface chemical features and differences in their micropore size distributions. The adsorption of phenol was carried out in static conditions at ambient temperature. The pseudo-second order kinetic model and Langmuir model were found to fit the experimental data very well. The different adsorption capacities of the ACs towards phenol were attributed to differences in their micropore size distributions. Adsorption capacity was favoured by the volume of pores with a size smaller than 1.4 nm; but restricted by pores smaller than 0.8 nm. PMID:26890386

  11. Pore size distribution analysis of activated carbons prepared from coconut shell using methane adsorption data

    NASA Astrophysics Data System (ADS)

    Ahmadpour, A.; Okhovat, A.; Darabi Mahboub, M. J.

    2013-06-01

    The application of Stoeckli theory to determine pore size distribution (PSD) of activated carbons using high pressure methane adsorption data is explored. Coconut shell was used as a raw material for the preparation of 16 different activated carbon samples. Four samples with higher methane adsorption were selected and nitrogen adsorption on these adsorbents was also investigated. Some differences are found between the PSD obtained from the analysis of nitrogen adsorption isotherms and their PSD resulting from the same analysis using methane adsorption data. It is suggested that these differences may arise from the specific interactions between nitrogen molecules and activated carbon surfaces; therefore caution is required in the interpretation of PSD obtained from the nitrogen isotherm data.

  12. Surface free energy analysis of adsorbents used for radioiodine adsorption

    NASA Astrophysics Data System (ADS)

    González-García, C. M.; Román, S.; González, J. F.; Sabio, E.; Ledesma, B.

    2013-10-01

    In this work, the surface free energy of biomass-based activated carbons, both fresh and impregnated with triethylenediamine, has been evaluated. The contribution of Lifshitz van der Waals components was determined by the model proposed by van Oss et al. The results obtained allowed predicting the most probable configurations of the impregnant onto the carbon surface and its influence on the subsequent adsorption of radioactive methyl iodide.

  13. Distribution function approach to irreversible adsorption of interacting colloidal particles

    NASA Astrophysics Data System (ADS)

    Faraudo, Jordi; Bafaluy, Javier

    2000-01-01

    A statistical-mechanical description of the irreversible adsorption of interacting colloidal particles is developed. Our approach describes in a consistent way the interaction of particles from the bulk with adsorbed particles during the transport process towards the adsorbing surface. The macroscopic physical quantities corresponding to the actual process are expressed as averages over simpler auxiliary processes which proceed in the presence of a fixed number n of adsorbed particles. The adsorption rate verifies a generalized Langmuir equation, in which the kinetic resistance (the inverse of the kinetic coefficient) is expressed as the sum of a diffusional resistance and a resistance due to interaction with adsorbed particles during the transport process (blocking effect). Contrary to previous approaches, the blocking effect is not due to geometrical exclusion, instead it measures how the transport from the bulk is affected by the adsorbed particles. From the general expressions obtained, we have derived coverage expansions for the adsorption rate and the surface correlation function. The theory is applied to the case of colloidal particles interacting through DLVO potentials. This form of the kinetic coefficient is shown to be in agreement with recent experimental results, in which RSA fails.

  14. Statistical physics studies of multilayer adsorption isotherm in food materials and pore size distribution

    NASA Astrophysics Data System (ADS)

    Aouaini, F.; Knani, S.; Ben Yahia, M.; Ben Lamine, A.

    2015-08-01

    Water sorption isotherms of foodstuffs are very important in different areas of food science engineering such as for design, modeling and optimization of many processes. The equilibrium moisture content is an important parameter in models used to predict changes in the moisture content of a product during storage. A formulation of multilayer model with two energy levels was based on statistical physics and theoretical considerations. Thanks to the grand canonical ensemble in statistical physics. Some physicochemical parameters related to the adsorption process were introduced in the analytical model expression. The data tabulated in literature of water adsorption at different temperatures on: chickpea seeds, lentil seeds, potato and on green peppers were described applying the most popular models applied in food science. We also extend the study to the newest proposed model. It is concluded that among studied models the proposed model seems to be the best for description of data in the whole range of relative humidity. By using our model, we were able to determine the thermodynamic functions. The measurement of desorption isotherms, in particular a gas over a solid porous, allows access to the distribution of pore size PSD.

  15. Probing the Adsorption Behavior of 4,5-Diazafluoren-9-one and Its Schiff Base Derivatives on SIlver and Gold Nanosurfaces Using Raman Spectroscopy, Density Functional Theory and Potential Energy Distribution Calculations

    NASA Astrophysics Data System (ADS)

    McCoy, Rhonda Patrice

    4,5-Diazafluoren-9-one (DAFO) is an aromatic ketone synthesized by oxidizing 1,10-phenanthroline with potassium permanganate. In this present study, the Raman spectra of DAFO in the solid and solution states were recorded in the 100-2000 cm-1 spectral region using 1064, 633, 532, and 514 nm excitation sources. A normal mode analysis of DAFO was performed using density functional theory; the BLYP and B3LYP functionals, each with the 6-31G(d) and 6-311(d) basis sets were employed. The fundamental modes on the Raman spectrum of DAFO were assigned with the appropriate symmetry element using the BLYP functional and 6-31G(d) basis set. The vibrational modes were described and quantified by potential energy distribution calculations. The Raman frequencies for the solid and solution spectra were compared; the observed frequency shifts are attributed to hydrogen bonding or dipole-dipole interactions occurring between the solvent and DAFO ligand. To further assess solute-solvent interactions the UV-vis spectra of DAFO was obtained in hydrogen bonding, polar aprotic, and non-polar solvents. The fine structure of the band observed at lambda max becomes more resolved as solvent polarity decreases, therefore confirming solute-solvent interactions in polar solvents. A silver complex of DAFO was synthesized with the intent of understanding how coordination affected the Raman frequencies. The bands assigned to pyridine ring bending, nu(C=N), and nu(C=O) were shifted because of coordination. These shifts have been attributed to the molecule being perturbed because of coordination. Therefore, the Ag-DAFO complex was analyzed by X-Ray diffraction and the molecular geometries of the free and coordinated ligand were compared. The resolved crystalline structure revealed the silver ion coordinated DAFO using the lone pairs of electrons from the nitrogens in the pyridine ring. Analysis of the molecular geometry revealed the C=O bond increases in double bond character and the C5-C14 bond

  16. Distributed Wind Energy in Idaho

    SciTech Connect

    Gardner, John; Johnson, Kathryn; Haynes, Todd; Seifert, Gary

    2009-01-31

    This project is a research and development program aimed at furthering distributed wind technology. In particular, this project addresses some of the barriers to distributed wind energy utilization in Idaho.

  17. Measurement of the adsorption energy difference between ortho- and para-D2 on an amorphous ice surface.

    PubMed

    Amiaud, L; Momeni, A; Dulieu, F; Fillion, J H; Matar, E; Lemaire, J-L

    2008-02-01

    Molecular hydrogen interaction on water ice surfaces is a major process taking place in interstellar dense clouds. By coupling laser detection and classical thermal desorption spectroscopy, it is possible to study the effect of rotation of D(2) on adsorption on amorphous solid water ice surfaces. The desorption profiles of ortho- and para-D(2) are different. This difference is due to a shift in the adsorption energy distribution of the two lowest rotational states. Molecules in J''=1 rotational state are on average more strongly bound to the ice surface than those in J''=0 rotational state. This energy difference is estimated to be 1.4+/-0.3 meV. This value is in agreement with previous calculation and interpretation. The nonspherical wave function J'' =1 has an interaction with the asymmetric part of the adsorption potential and contributes positively in the binding energy.

  18. Phenolic resin-based porous carbons for adsorption and energy storage applications

    NASA Astrophysics Data System (ADS)

    Wickramaratne, Nilantha P.

    The main objective of this dissertation research is to develop phenolic resin based carbon materials for range of applications by soft-templating and Stober-like synthesis strategies. Applications Studied in this dissertation are adsorption of CO2, bio-molecular and heavy metal ions, and energy storage devices. Based on that, our goal is to design carbon materials with desired pore structure, high surface area, graphitic domains, incorporated metal nanoparticles, and specific organic groups and heteroatoms. In this dissertation the organic-organic self-assembly of phenolic resins and triblock copolymers under acidic conditions will be used to obtain mesoporous carbons/carbon composites and Stober-like synthesis involving phenolic resins under basic condition will be used to prepare polymer/carbon particles and their composites. The structure of this dissertation consists of an introductory chapter (Chapter 1) discussing the general synthesis of carbon materials, particularly the soft-templating strategy and Stober-like carbon synthesis. Also, Chapter 1 includes a brief outline of applications namely adsorption of CO2, biomolecule and heavy metal ions, and supercapacitors. Chapter 2 discusses the techniques used for characterization of the carbon materials studied. This chapter starts with nitrogen adsorption analysis, which is used to measure the specific surface area, pore volume, distribution of pore sizes, and pore width. In addition to nitrogen adsorption, powder X-ray diffraction (XRD), transmission electron microscopy (TEM), high resolution thermogravimetric analysis (HR-TGA), cyclic voltammetry (CV) and CHNS elemental analysis (EA) are mentioned too. Chapter 3 is focused on carbon materials for CO2 adsorption. There are different types of porous solid materials such as silicate, MOFs, carbons, and zeolites studied for CO2 adsorption. However, the carbon based materials are considered to be the best candidates for CO 2 adsorption to the industrial point of

  19. Fermi level pinning and the charge transfer contribution to the energy of adsorption at semiconducting surfaces

    SciTech Connect

    Krukowski, Stanisław; Kempisty, Paweł; Strak, Paweł; Sakowski, Konrad

    2014-01-28

    It is shown that charge transfer, the process analogous to formation of semiconductor p-n junction, contributes significantly to adsorption energy at semiconductor surfaces. For the processes without the charge transfer, such as molecular adsorption of closed shell systems, the adsorption energy is determined by the bonding only. In the case involving charge transfer, such as open shell systems like metal atoms or the dissociating molecules, the energy attains different value for the Fermi level differently pinned. The Density Functional Theory (DFT) simulation of species adsorption at different surfaces, such as SiC(0001) or GaN(0001) confirms these predictions: the molecular adsorption is independent on the coverage, while the dissociative process adsorption energy varies by several electronvolts.

  20. The distribution and adsorption behavior of aliphatic amines in marine and lacustrine sediments

    SciTech Connect

    Wang, Xuchen; Lee, C. )

    1990-10-01

    The methylated amines - monomethyl-, dimethyl-, and trimethyl amine (MMA, DMA, TMA) - are commonly found in aquatic environments, apparently as a result of decomposition processes. Adsorption of these amines to clay minerals and organic matter significantly influences their distribution in sediments. Laboratory measurements using {sup 14}C-radiolabelled amines and application of a linear partitioning model resulted in calculated adsorption coefficients of 2.4-4.7 (MMA), 3.3 (DMA), and 3.3-4.1 (TMA). Further studies showed that adsorption of amines is influenced by salinity of the porewaters, and clay mineral and organic matter content of the sediment solid phase. Concentrations of monomethyl- and dimethyl amine were measured in the porewaters and the solid phase of sediment samples collected from Flax Pond and Lake Ronkonkoma (NY), Long Island Sound, and the coastal Peru upwelling area. These two amines were present in all sediments investigated. A clear seasonal increase in the solid-phase concentration of MMA and DMA in Flax Pond sediments was likely related to the annual senescence of salt marsh grasses, either directly as a source of these compounds or indirectly by providing additional exchange capacity to the sediments. The distribution of amines in the solid and dissolved phases observed in all sediments investigated suggests that the distribution of these compounds results from a balance among production, decomposition, and adsorption processes.

  1. Effect of surface charge distribution on the adsorption orientation of proteins to lipid monolayers.

    PubMed

    Tiemeyer, Sebastian; Paulus, Michael; Tolan, Metin

    2010-09-01

    The adsorption orientation of the proteins lysozyme and ribonuclease A (RNase A) to a neutral 1,2-dipalmitoyl-sn-glycero-3-phosphocholine (DPPC) and a negatively charged stearic acid lipid film was investigated by means of X-ray reflectivity. Both proteins adsorbed to the negatively charged lipid monolayer, whereas at the neutral monolayer, no adsorption was observed. For acquiring comprehensive information on the proteins' adsorption, X-ray reflectivity data were combined with electron densities obtained from crystallographic data. With this method, it is possible to determine the orientation of adsorbed proteins in solution underneath lipid monolayers. While RNase A specifically coupled with its positively charged active site to the negatively charged lipid monolayer, lysozyme prefers an orientation with its long axis parallel to the Langmuir film. In comparison to the electrostatic maps of the proteins, our results can be explained by the discriminative surface charge distribution of lysozyme and RNase A.

  2. Effect of surface charge distribution on the adsorption orientation of proteins to lipid monolayers.

    PubMed

    Tiemeyer, Sebastian; Paulus, Michael; Tolan, Metin

    2010-09-01

    The adsorption orientation of the proteins lysozyme and ribonuclease A (RNase A) to a neutral 1,2-dipalmitoyl-sn-glycero-3-phosphocholine (DPPC) and a negatively charged stearic acid lipid film was investigated by means of X-ray reflectivity. Both proteins adsorbed to the negatively charged lipid monolayer, whereas at the neutral monolayer, no adsorption was observed. For acquiring comprehensive information on the proteins' adsorption, X-ray reflectivity data were combined with electron densities obtained from crystallographic data. With this method, it is possible to determine the orientation of adsorbed proteins in solution underneath lipid monolayers. While RNase A specifically coupled with its positively charged active site to the negatively charged lipid monolayer, lysozyme prefers an orientation with its long axis parallel to the Langmuir film. In comparison to the electrostatic maps of the proteins, our results can be explained by the discriminative surface charge distribution of lysozyme and RNase A. PMID:20707324

  3. Thorium adsorption in the ocean: reversibility and distribution amongst particle sizes

    NASA Astrophysics Data System (ADS)

    Moore, Robert M.; Hunter, Keith A.

    1985-11-01

    Experiments have been carried out to determine whether the adsorption of Th by marine suspended particles is a reversible process. The results indicate reversibility on a time scale of hours. The distribution of Th between the 'dissolved' state (<0.22 μm particle size) and various particle size fractions has been compared with predictions based on a hyperbolic size distribution of marine particles assuming spherical geometry and surface adsorption. Thorium is present in small particles to a much smaller degree than such a model would predict, so that the use of 1 μm pore size filters to separate 'dissolved' and 'particulate' Th does not introduce serious errors. The implications of these results on the reversible exchange model of BACON and ANDERSON (1982) and on the settling model of TSUNOGAI and MINAGAWA (1978) are discussed.

  4. Adsorption and Distribution of Fluorescent Solutes near the Articular Surface of Mechanically Injured Cartilage

    PubMed Central

    Decker, Sarah G.A.; Moeini, Mohammad; Chin, Hooi Chuan; Rosenzweig, Derek H.; Quinn, Thomas M.

    2013-01-01

    The development of cartilage-specific imaging agents supports the improvement of tissue assessment by minimally invasive means. Techniques for highlighting cartilage surface damage in clinical images could provide for sensitive indications of posttraumatic injury and early stage osteoarthritis. Previous studies in our laboratory have demonstrated that fluorescent solutes interact with cartilage surfaces strongly enough to affect measurement of their partition coefficients within the tissue bulk. In this study, these findings were extended by examining solute adsorption and distribution near the articular surface of mechanically injured cartilage. Using viable cartilage explants injured by an established protocol, solute distributions near the articular surface of three commonly used fluorophores (fluorescein isothiocyanate (FITC), tetramethylrhodamine isothiocyanate (TRITC), and carboxytetramethylrhodamine (TAMRA)) were observed after absorption and subsequent desorption to assess solute-specific matrix interactions and reversibility. Both absorption and desorption processes demonstrated a trend of significantly less solute adsorption at surfaces of fissures compared to adjacent intact surfaces of damaged explants or surfaces of uninjured explants. After adsorption, normalized mean surface intensities of fissured surfaces of injured explants were 6%, 40%, and 32% for FITC, TRITC, and TAMRA, respectively, compared to uninjured surfaces. Similar values were found for sliced explants and after a desorption process. After desorption, a trend of increased solute adsorption at the site of intact damaged surfaces was noted (316% and 238% for injured and sliced explants exposed to FITC). Surface adsorption of solute was strongest for FITC and weakest for TAMRA; no solutes negatively affected cell viability. Results support the development of imaging agents that highlight distinct differences between fissured and intact cartilage surfaces. PMID:24268155

  5. Adsorption of zwitterionic fluoroquinolone antibacterials to goethite: a charge distribution-multisite complexation model.

    PubMed

    Paul, Tias; Liu, Jinyong; Machesky, Michael L; Strathmann, Timothy J

    2014-08-15

    Fluoroquinolone (FQ) antibacterials are aquatic contaminants of emerging concern (CEC), and adsorption to mineral surfaces is expected to play an important role in the fate, transport, and treatment of FQs. This study characterizes and models the adsorption of a zwitterionic FQ, ofloxacin (OFX), to goethite (α-FeOOH) over a wide range of pH (3-11), OFX concentration (20-500 μM), and electrolyte compositions (0.001-0.1M NaCl and NaClO4). Comparing OFX adsorption to structural analogues demonstrates that the carboxylate group is essential for binding to goethite. ATR-FTIR measurements indicate that FQs complex to goethite surfaces through carboxylate and carbonyl oxygen atoms, and that ClO4(-) co-adsorbs with OFX. Adsorption of the zwitterionic OFX increases with increasing ionic strength and is enhanced in NaClO4 relative to NaCl electrolyte, whereas adsorption of a non-zwitterionic analogue is insensitive to ionic strength. A CD-MUSIC (charge distribution-multisite complexation) model, incorporating multiple modes of surface complexation constrained by spectroscopic measurements and the crystallographic distribution of goethite surface sites, yields accurate predictions over wide-ranging solution conditions. According to the model, OFX adsorbs predominantly by inner-sphere complexation on terminal surfaces of the rod-shaped goethite crystals in NaCl electrolyte, and OFX-ClO4(-) ion pairing in NaClO4 induces formation of additional inner- and outer-sphere surface complexes on multiple crystal faces of goethite.

  6. Reactive Power from Distributed Energy

    SciTech Connect

    Kueck, John; Kirby, Brendan; Rizy, Tom; Li, Fangxing; Fall, Ndeye

    2006-12-15

    Distributed energy is an attractive option for solving reactive power and distribution system voltage problems because of its proximity to load. But the cost of retrofitting DE devices to absorb or produce reactive power needs to be reduced. There also needs to be a market mechanism in place for ISOs, RTOs, and transmission operators to procure reactive power from the customer side of the meter where DE usually resides. (author)

  7. Scaling Properties of Adsorption Energies for Hydrogen-Containing Molecules on Transition-Metal Surfaces

    NASA Astrophysics Data System (ADS)

    Abild-Pedersen, F.; Greeley, J.; Studt, F.; Rossmeisl, J.; Munter, T. R.; Moses, P. G.; Skúlason, E.; Bligaard, T.; Nørskov, J. K.

    2007-07-01

    Density functional theory calculations are presented for CHx, x=0,1,2,3, NHx, x=0,1,2, OHx, x=0,1, and SHx, x=0,1 adsorption on a range of close-packed and stepped transition-metal surfaces. We find that the adsorption energy of any of the molecules considered scales approximately with the adsorption energy of the central, C, N, O, or S atom, the scaling constant depending only on x. A model is proposed to understand this behavior. The scaling model is developed into a general framework for estimating the reaction energies for hydrogenation and dehydrogenation reactions.

  8. Study of lysozyme mobility and binding free energy during adsorption on a graphene surface

    SciTech Connect

    Nakano, C. Masato; Ma, Heng; Wei, Tao

    2015-04-13

    Understanding protein adsorption is a key to the development of biosensors and anti-biofouling materials. Hydration essentially controls the adsorption process on hydrophobic surfaces, but its effect is complicated by various factors. Here, we present an ideal model system to isolate hydration effects—lysozyme adsorption on a flat hydrophobic graphene surface. Our all-atom molecular dynamics and molecular-mechanics/Poisson-Boltzmann surface area computation study reveal that lysozyme on graphene displays much larger diffusivity than in bulk water. Protein's hydration free energy within the first hydration shell is dominated by the protein-water electrostatic interactions and acts as an energy barrier for protein adsorption. On the other hand, the surface tension, especially that from the hydrophobic graphene, can effectively weaken the barrier to promote adsorption.

  9. Optimization of adsorption processes for climate control and thermal energy storage

    SciTech Connect

    Narayanan, S; Yang, S; Kim, H; Wang, EN

    2014-10-01

    Adsorption based heat-pumps have received significant interest owing to their promise of higher efficiencies and energy savings when coupled with waste heat and solar energy compared to conventional heating and cooling systems. While adsorption systems have been widely studied through computational analysis and experiments, general design guidelines to enhance their overall performance have not been proposed. In this work, we identified conditions suitable for the maximum utilization of the adsorbent to enhance the performance of both intermittent as well as continuously operating adsorption systems. A detailed computational model was developed based on a general framework governing adsorption dynamics in a single adsorption layer and pellet. We then validated the computational analysis using experiments with a model system of zeolite 13X-water for different operating conditions. A dimensional analysis was subsequently carried out to optimize adsorption performance for any desired operating condition, which is determined by the choice of adsorbent-vapor pair, adsorption duration, operational pressure, intercrystalline porosity, adsorbent crystal size, and intracrystalline vapor diffusivity. The scaling analysis identifies the critical dimensionless parameters and provides a simple guideline to determine the most suitable geometry for the adsorbent particles. Based on this selection criterion, the computational model was used to demonstrate maximum utilization of the adsorbent for any given operational condition. By considering a wide range of parametric variations for performance optimization, these results offer important insights for designing adsorption beds for heating and cooling systems. (C) 2014 Elsevier Ltd. All rights reserved.

  10. Multiscale characterization of pore size distributions using mercury porosimetry and nitrogen adsorption

    NASA Astrophysics Data System (ADS)

    Paz-Ferreiro, J.; Tarquis, A. M.; Miranda, J. G. V.; Vidal Vázquez, E.

    2009-04-01

    The soil pore space is a continuum extremely variable in size, including structures smaller than nanometres and as large as macropores or cracks with millimetres or even centimetres size. Pore size distributions (PSDs) affects important soil functions, such as those related with transmission and storage of water, and root growth. Direct and indirect measurements of PSDs are becoming increasingly used to characterize soil structure. Mercury injection porosimetry and nitrogen adsorption isotherms are techniques commonly employed for assessing equivalent pore size diameters in the range from about 50 nm to 100 m and 2 to 500 nm, respectively. The multifractal formalism was used to describe Hg injection curves and N2 adsorption isotherms from two series of a Mollisol cultivated under no tillage and minimum tillage. Soil samples were taken from 0-10, 10-20 and 20-30 cm depths in two experimental fields located in the north of Buenos Aires and South of Santa Fe provinces, Argentina. All the data sets analyzed from the two studied soil attributes showed remarkably good scaling trends as assessed by singularity spectrum and generalized dimension spectrum. Both, experimental Hg injection curves and N2 adsorption isotherms could be fitted reasonably well with multifractal models. A wide variety of singularity and generalized dimension spectra was found for the variables. The capacity dimensions, D0, for both Hg injection and N2 adsorption data were not significantly different from the Euclidean dimension. However, the entropy dimension, D1, and correlation dimension, D2, obtained from mercury injection and nitrogen adsorption data showed significant differences. So, D1 values were on average 0.868 and varied from 0.787 to 0.925 for Hg intrusion curves. Entropy dimension, D1, values for N2 adsorption isotherms were on average 0.582 significantly lower than those obtained when using the former technique. Twenty-three out of twenty-four N2 isotherms had D1 values in a

  11. Pore Scale Heterogeneity in the Mineral Distribution, Surface Area and Adsorption in Porous Rocks

    NASA Astrophysics Data System (ADS)

    Lai, P. E. P.; Krevor, S. C.

    2014-12-01

    The impact of heterogeneity in chemical transport and reaction is not understood in continuum (Darcy/Fickian) models of reactive transport. This is manifested in well-known problems such as scale dependent dispersion and discrepancies in reaction rate observations made at laboratory and field scales [1]. Additionally, this is a source of uncertainty for carbon dioxide injection, which produces a reactive fluid-rock system particularly in carbonate rock reservoirs. A potential cause is the inability of the continuum approach to incorporate the impact of heterogeneity in pore-scale reaction rates. This results in part from pore-scale heterogeneities in surface area of reactive minerals [2, 3]. We use x-ray micro tomography to describe the non-normal 3-dimensional distribution of reactive surface area within a porous medium according to distinct mineral groups. Using in-house image processing techniques, thin sections, nitrogen BET surface area, backscattered electron imaging and energy dispersive spectroscopy, we compare the surface area of each mineral phase to those obtained from x-ray CT imagery. In all samples, there is little correlation between the reactive surface area fraction and the volumetric fraction of a mineral in a bulk rock. Berea sandstone was far less heterogeneous and has a characteristic pore size at which a surface area distribution may be used to quantify heterogeneity. In carbonates, heterogeneity is more complex and surface area must be characterized at multiple length scales for an accurate description of reactive transport. We combine the mineral specific surface area characterisation to dynamic tomography, imaging the flow of water and solutes, to observe flow dependent and mineral specific adsorption. The observations may contribute to the incorporation of experimentally based statistical descriptions of pore scale heterogeneity in reactive transport into upscaled models, moving it closer to predictive capabilities for field scale

  12. Enhanced distributed energy resource system

    DOEpatents

    Atcitty, Stanley; Clark, Nancy H.; Boyes, John D.; Ranade, Satishkumar J.

    2007-07-03

    A power transmission system including a direct current power source electrically connected to a conversion device for converting direct current into alternating current, a conversion device connected to a power distribution system through a junction, an energy storage device capable of producing direct current connected to a converter, where the converter, such as an insulated gate bipolar transistor, converts direct current from an energy storage device into alternating current and supplies the current to the junction and subsequently to the power distribution system. A microprocessor controller, connected to a sampling and feedback module and the converter, determines when the current load is higher than a set threshold value, requiring triggering of the converter to supply supplemental current to the power transmission system.

  13. Energy conservation in electric distribution

    SciTech Connect

    Lee, Chong-Jin

    1994-12-31

    This paper discusses the potential for energy and power savings that exist in electric power delivery systems. These savings translate into significant financial and environmental benefits for electricity producers and consumers as well as for society in general. AlliedSignal`s knowledge and perspectives on this topic are the result of discussions with hundreds of utility executives, government officials and other industry experts over the past decade in conjunction with marketing our Amorphous Metal technology for electric distribution transformers. Amorphous metal is a technology developed by AlliedSignal that significantly reduces the energy lost in electric distribution transformers at an incremental cost of just a few cents per kilo-Watt-hour. The purpose of this paper is to discuss: Amorphous Metal Alloy Technology; Energy Savings Opportunity; The Industrial Barriers and Remedies; Worldwide Demand; and A Low Risk Strategy. I wish this presentation will help KEPCO achieve their stated aims of ensuring sound development of the national economy and enhancement of public life through the economic and stable supply of electric power. AlliedSignal Korea Ltd. in conjunction with AlliedSignal Amorphous Metals in the U.S. are here to work with KEPCO, transformer manufacturers, industry, and government agencies to achieve greater efficiency in power distribution.

  14. Pesticide adsorption in relation to soil properties and soil type distribution in regional scale.

    PubMed

    Kodešová, Radka; Kočárek, Martin; Kodeš, Vít; Drábek, Ondřej; Kozák, Josef; Hejtmánková, Kateřina

    2011-02-15

    Study was focused on the evaluation of pesticide adsorption in soils, as one of the parameters, which are necessary to know when assessing possible groundwater contamination caused by pesticides commonly used in agriculture. Batch sorption tests were performed for 11 selected pesticides and 13 representative soils. The Freundlich equations were used to describe adsorption isotherms. Multiple-linear regressions were used to predict the Freundlich adsorption coefficients from measured soil properties. Resulting functions and a soil map of the Czech Republic were used to generate maps of the coefficient distribution. The multiple linear regressions showed that the K(F) coefficient depended on: (a) combination of OM (organic matter content), pH(KCl) and CEC (cation exchange capacity), or OM, SCS (sorption complex saturation) and salinity (terbuthylazine), (b) combination of OM and pH(KCl), or OM, SCS and salinity (prometryne), (c) combination of OM and pH(KCl), or OM and ρ(z) (metribuzin), (d) combination of OM, CEC and clay content, or clay content, CEC and salinity (hexazinone), (e) combination of OM and pH(KCl), or OM and SCS (metolachlor), (f) OM or combination of OM and CaCO(3) (chlorotoluron), (g) OM (azoxystrobin), (h) combination of OM and pH(KCl) (trifluralin), (i) combination of OM and clay content (fipronil), (j) combination of OM and pH(KCl), or OM, pH(KCl) and CaCO(3) (thiacloprid), (k) combination of OM, pH(KCl) and CEC, or sand content, pH(KCl) and salinity (chlormequat chloride).

  15. Correlation between oxygen adsorption energy and electronic structure of transition metal macrocyclic complexes

    NASA Astrophysics Data System (ADS)

    Liu, Kexi; Lei, Yinkai; Wang, Guofeng

    2013-11-01

    Oxygen adsorption energy is directly relevant to the catalytic activity of electrocatalysts for oxygen reduction reaction (ORR). In this study, we established the correlation between the O2 adsorption energy and the electronic structure of transition metal macrocyclic complexes which exhibit activity for ORR. To this end, we have predicted the molecular and electronic structures of a series of transition metal macrocyclic complexes with planar N4 chelation, as well as the molecular and electronic structures for the O2 adsorption on these macrocyclic molecules, using the density functional theory calculation method. We found that the calculated adsorption energy of O2 on the transition metal macrocyclic complexes was linearly related to the average position (relative to the lowest unoccupied molecular orbital of the macrocyclic complexes) of the non-bonding d orbitals (d_{z^2 }, d_{xy}, d_{xz}, and dyz) which belong to the central transition metal atom. Importantly, our results suggest that varying the energy level of the non-bonding d orbitals through changing the central transition metal atom and/or peripheral ligand groups could be an effective way to tuning their O2 adsorption energy for enhancing the ORR activity of transition metal macrocyclic complex catalysts.

  16. Correlation between oxygen adsorption energy and electronic structure of transition metal macrocyclic complexes

    SciTech Connect

    Liu, Kexi; Lei, Yinkai; Wang, Guofeng

    2013-11-28

    Oxygen adsorption energy is directly relevant to the catalytic activity of electrocatalysts for oxygen reduction reaction (ORR). In this study, we established the correlation between the O{sub 2} adsorption energy and the electronic structure of transition metal macrocyclic complexes which exhibit activity for ORR. To this end, we have predicted the molecular and electronic structures of a series of transition metal macrocyclic complexes with planar N{sub 4} chelation, as well as the molecular and electronic structures for the O{sub 2} adsorption on these macrocyclic molecules, using the density functional theory calculation method. We found that the calculated adsorption energy of O{sub 2} on the transition metal macrocyclic complexes was linearly related to the average position (relative to the lowest unoccupied molecular orbital of the macrocyclic complexes) of the non-bonding d orbitals (d{sub z{sup 2}}, d{sub xy}, d{sub xz}, and d{sub yz}) which belong to the central transition metal atom. Importantly, our results suggest that varying the energy level of the non-bonding d orbitals through changing the central transition metal atom and/or peripheral ligand groups could be an effective way to tuning their O{sub 2} adsorption energy for enhancing the ORR activity of transition metal macrocyclic complex catalysts.

  17. Scaling Relationships for Adsorption Energies of C2 Hydrocarbons on Transition Metal Surfaces

    SciTech Connect

    Jones, G

    2011-08-18

    Using density functional theory calculations we show that the adsorption energies for C{sub 2}H{sub x}-type adsorbates on transition metal surfaces scale with each other according to a simple bond order conservation model. This observation generalizes some recently recognized adsorption energy scaling laws for AH{sub x}-type adsorbates to unsaturated hydrocarbons and establishes a coherent simplified description of saturated as well as unsaturated hydrocarbons adsorbed on transition metal surfaces. A number of potential applications are discussed. We apply the model to the dehydrogenation of ethane over pure transition metal catalysts. Comparison with the corresponding full density functional theory calculations shows excellent agreement.

  18. First-principles calculations of the OH- adsorption energy on perovskite oxide

    NASA Astrophysics Data System (ADS)

    Ohzuku, Hideo; Ikeno, Hidekazu; Yamada, Ikuya; Yagi, Shunsuke

    2016-08-01

    The oxygen evolution reaction (OER) that occurs during water oxidation is of considerable importance as an essential energy conversion reaction for rechargeable metal-air batteries and direct solar water splitting. ABO3 perovskite oxides have been extensively studied because of their high catalytic OER activity. In the present study, the OH- adsorption process on the perovskite surface about different B site cations was investigated by the first-principles calculations. We concluded that the adsorption energy of SrFeO3 surface is larger than that of SrTiO3.

  19. Understanding Adsorption-Induced Effects on Platinum Nanoparticles: An Energy-Decomposition Analysis.

    PubMed

    Calle-Vallejo, Federico; Sautet, Philippe; Loffreda, David

    2014-09-18

    Platinum nanoparticle catalysts are used in a myriad of gas-phase, liquid-phase, and electrochemical reactions. Although a high catalytic activity is paramount, stability must also be guaranteed, especially when the nanoparticles are in contact with strongly bound adsorbates. Therefore, it is crucial to be able to accurately calculate adsorption-energy trends on Pt nanoparticles of multiple sizes and morphologies using ab initio methods at affordable computational expenses. Here, through an energy-decomposition analysis in which adsorption processes are regarded as the interplay between pure binding and various compensating core-shell deformations, we show that pure binding is responsible for the overall linear adsorption trends. Conversely, the energetic cost of the deformations is a site-independent, adsorbate-dependent constant value. These two observations and the description of the trends by means of generalized coordination numbers help to significantly reduce the computational expense of simulating large nanoparticles.

  20. Resonance energy-transfer studies of the conformational change on the adsorption of oligonucleotides to a silica interface.

    PubMed

    Scholes, Colin A; Millar, David P; Gee, Michelle L; Smith, Trevor A

    2011-05-19

    Time-resolved evanescent wave-induced fluorescence studies have been carried out on a series of fluorescently labeled oligonucleotide sequences adsorbed to a silica surface from solution. The fluorescence decay profiles of a fluorescent energy donor group undergoing resonance energy transfer to a nonemissive energy-acceptor molecule have been analyzed in terms of a distribution of donor-acceptor distances to reveal the conformational changes that occur in these oligonucleotides upon adsorption. Evanescent wave-induced time-resolved Förster resonance energy-transfer (EW-TRFRET) measurements indicate that at a high electrolyte concentration, there is localized separation of the oligonucleotide strands, and the helical structure adopts an "unraveled" conformation as a result of adsorption. This is attributed to the flexibility within the oligonucleotide at high electrolyte concentration allowing multiple segments of the oligonucleotide to have direct surface interaction. In contrast, the EW-TRFRET measurements at a lower electrolyte concentration reveal that the oligonucleotide retains its helical conformation in a localized extended state. This behavior implies that the rigidity of the oligonucleotide at this electrolyte concentration restricts direct interaction with the silica to a few segments, which correspondingly introduces kinks in the double helix conformation and results in significant oligonucleotide segmental extension into solution.

  1. Microgravimetric Analysis Method for Activation-Energy Extraction from Trace-Amount Molecule Adsorption.

    PubMed

    Xu, Pengcheng; Yu, Haitao; Li, Xinxin

    2016-05-01

    Activation-energy (Ea) value for trace-amount adsorption of gas molecules on material is rapidly and inexpensively obtained, for the first time, from a microgravimetric analysis experiment. With the material loaded, a resonant microcantilever is used to record in real time the adsorption process at two temperatures. The kinetic parameter Ea is thereby extracted by solving the Arrhenius equation. As an example, two CO2 capture nanomaterials are examined by the Ea extracting method for evaluation/optimization and, thereby, demonstrating the applicability of the microgravimetric analysis method. The achievement helps to solve the absence in rapid quantitative characterization of sorption kinetics and opens a new route to investigate molecule adsorption processes and materials.

  2. Distribution and factors affecting adsorption of sterols in the surface sediments of Bosten Lake and Manas Lake, Xinjiang.

    PubMed

    Liu, Jiang; Yao, Xiaorui; Lu, Jianjiang; Qiao, Xiuwen; Liu, Zilong; Li, Shanman

    2016-03-01

    This study investigated the concentrations and distribution of eight sterol compounds in the surface sediments of Bosten Lake and Manas Lake, Xinjiang, China. The ratios of sterols as diagnostic indices were used to identify pollution sources. The sediment of the two lakes was selected as an adsorbent to investigate the adsorption behaviour of sterols. Results showed that the sterols were widely distributed in the sediments of the lakes in the study areas. The total concentrations of the detected sterols in Bosten Lake and in Manas Lake were 1.584-27.897 and 2.048-18.373 μg g(-1)∙dw, respectively. In all of the sampling sites, the amount of faecal sterols was less than that of plant sterols. β-sitosterol was the dominant plant sterol with a mean concentration of 2.378 ± 2.234 μg g(-1)∙dw; cholesterol was the most abundant faecal sterol with a mean concentration of 1.060 ± 1.402 μg g(-1)∙dw. The pollution level was higher in Bosten Lake than in Manas Lake. Majority of the ratios clearly demonstrated that the contamination by human faecal sources was occurring at stations which are adjacent to residential areas and water inlets. The adsorption behaviour of sterols to sediment suggested that the sterol adsorption coefficients were reduced as temperature increased. As salinity increased, the adsorption quantity also increased. As pH increased, the sediment adsorption of sterol slightly increased because the strong alkaline solution is not conducive to the adsorption of sterols. The ratios between sterols did not change largely with the change in external factors.

  3. Probability distribution of the vacuum energy density

    SciTech Connect

    Duplancic, Goran; Stefancic, Hrvoje; Glavan, Drazen

    2010-12-15

    As the vacuum state of a quantum field is not an eigenstate of the Hamiltonian density, the vacuum energy density can be represented as a random variable. We present an analytical calculation of the probability distribution of the vacuum energy density for real and complex massless scalar fields in Minkowski space. The obtained probability distributions are broad and the vacuum expectation value of the Hamiltonian density is not fully representative of the vacuum energy density.

  4. Kinetic and geometric isotope effects originating from different adsorption potential energy surfaces: cyclohexane on Rh(111).

    PubMed

    Koitaya, Takanori; Shimizu, Sumera; Mukai, Kozo; Yoshimoto, Shinya; Yoshinobu, Jun

    2012-06-01

    Novel isotope effects were observed in desorption kinetics and adsorption geometry of cyclohexane on Rh(111) by the use of infrared reflection absorption spectroscopy, temperature programmed desorption, photoelectron spectroscopy, and spot-profile-analysis low energy electron diffraction. The desorption energy of deuterated cyclohexane (C(6)D(12)) is lower than that of C(6)H(12). In addition, the work function change by adsorbed C(6)D(12) is smaller than that by adsorbed C(6)H(12). These results indicate that C(6)D(12) has a shallower adsorption potential than C(6)H(12) (vertical geometric isotope effect). The lateral geometric isotope effect was also observed in the two-dimensional cyclohexane superstructures as a result of the different repulsive interaction between interfacial dipoles. The observed isotope effects should be ascribed to the quantum nature of hydrogen involved in the C-H···metal interaction.

  5. Resilient Core Networks for Energy Distribution

    SciTech Connect

    Kuntze, Nicolai; Rudolph, Carsten; Leivesley, Sally; Manz, David O.; Endicott-Popovsky, Barbara E.

    2014-07-28

    Abstract—Substations and their control are crucial for the availability of electricity in today’s energy distribution. Ad- vanced energy grids with Distributed Energy Resources require higher complexity in substations, distributed functionality and communication between devices inside substations and between substations. Also, substations include more and more intelligent devices and ICT based systems. All these devices are connected to other systems by different types of communication links or are situated in uncontrolled environments. Therefore, the risk of ICT based attacks on energy grids is growing. Consequently, security measures to counter these risks need to be an intrinsic part of energy grids. This paper introduces the concept of a Resilient Core Network to interconnected substations. This core network provides essen- tial security features, enables fast detection of attacks and allows for a distributed and autonomous mitigation of ICT based risks.

  6. Identical Binding Energies and Work Functions for Distinct Adsorption Structures: Olympicenes on the Cu(111) Surface.

    PubMed

    Liu, Wei; Schuler, Bruno; Xu, Yong; Moll, Nikolaj; Meyer, Gerhard; Gross, Leo; Tkatchenko, Alexandre

    2016-03-17

    Reliability is one of the major concerns and challenges in designing organic/inorganic interfaces for (opto)electronic applications. Even small structural differences for molecules on substrates can result in a significant variation in the interface functionality, due to the strong correlation between geometry, stability, and electronic structure. Here, we employed state-of-the-art first-principles calculations with van der Waals interactions, in combination with atomic force microscopy experiments, to explore the interaction mechanism for three structurally related olympicene molecules adsorbed on the Cu(111) surface. The substitution of a single atom in the olympicene molecule switches the nature of adsorption from predominantly physisorptive character [olympicene on Cu(111)], to an intermediate state [olympicene-derived ketone on Cu(111)], then to chemisorptive character [olympicene radical on Cu(111)]. Despite the remarkable difference in adsorption structures (by up to 0.9 Å in adsorption height) and different nature of bonding, the olympicene, its ketone, and its radical derivatives have essentially identical binding energies and work functions upon interaction with the metal substrate. Our findings suggest that the stability and work functions of molecular adsorbates could be rendered insensitive to their adsorption structures, which could be a useful property for (opto)electronic applications. PMID:26928143

  7. Distribution System Voltage Regulation by Distributed Energy Resources

    SciTech Connect

    Ceylan, Oguzhan; Liu, Guodong; Xu, Yan; Tomsovic, Kevin

    2014-01-01

    This paper proposes a control method to regulate voltages in 3 phase unbalanced electrical distribution systems. A constrained optimization problem to minimize voltage deviations and maximize distributed energy resource (DER) active power output is solved by harmony search algorithm. IEEE 13 Bus Distribution Test System was modified to test three different cases: a) only voltage regulator controlled system b) only DER controlled system and c) both voltage regulator and DER controlled system. The simulation results show that systems with both voltage regulators and DER control provide better voltage profile.

  8. ENERGY EFFICIENCY AND ENVIRONMENTALLY FRIENDLY DISTRIBUTED ENERGY STORAGE BATTERY

    SciTech Connect

    LANDI, J.T.; PLIVELICH, R.F.

    2006-04-30

    Electro Energy, Inc. conducted a research project to develop an energy efficient and environmentally friendly bipolar Ni-MH battery for distributed energy storage applications. Rechargeable batteries with long life and low cost potentially play a significant role by reducing electricity cost and pollution. A rechargeable battery functions as a reservoir for storage for electrical energy, carries energy for portable applications, or can provide peaking energy when a demand for electrical power exceeds primary generating capabilities.

  9. Energy optimization of water distribution systems

    SciTech Connect

    1994-09-01

    Energy costs associated with pumping treated water into the distribution system and boosting water pressures where necessary is one of the largest expenditures in the operating budget of a municipality. Due to the size and complexity of Detroit`s water transmission system, an energy optimization project has been developed to better manage the flow of water in the distribution system in an attempt to reduce these costs.

  10. Unified method for the total pore volume and pore size distribution of hierarchical zeolites from argon adsorption and mercury intrusion.

    PubMed

    Kenvin, Jeffrey; Jagiello, Jacek; Mitchell, Sharon; Pérez-Ramírez, Javier

    2015-02-01

    A generalized approach to determine the complete distribution of macropores, mesopores, and micropores from argon adsorption and mercury porosimetry is developed and validated for advanced zeolite catalysts with hierarchically structured pore systems in powder and shaped forms. Rather than using a fragmented approach of simple overlays from individual techniques, a unified approach that utilizes a kernel constructed from model isotherms and model intrusion curves is used to calculate the complete pore size distribution and the total pore volume of the material. An added benefit of a single full-range pore size distribution is that the cumulative pore area and the area distribution are also obtained without the need for additional modeling. The resulting complete pore size distribution and the kernel accurately model both the adsorption isotherm and the mercury porosimetry. By bridging the data analysis of two primary characterization tools, this methodology fills an existing gap in the library of familiar methods for porosity assessment in the design of materials with multilevel porosity for novel technological applications.

  11. Distributed-current-feed and distributed-energy-store railguns

    NASA Astrophysics Data System (ADS)

    Holland, L. D.

    1984-03-01

    In connection with advances in railgun technology evolution toward the development of systems for specific applications, investigations are being conducted regarding a wide variety of power supply and railgun systems. The present study is concerned with the development of the distributed railguns and the introduction of a new type of railgun system specifically designed for applications requiring long accelerators. It is found that the distributed railguns offer a solution to the limits on performance of the breech-fed railguns as the length of the rails becomes large. Attention is given to the pulse-forming network and breech-fed railgun, the breech-fed railgun with parallel pulse-forming network, a distributed-energy-store railgun, a distributed-current-feed (DCF) railgun, and a DCF railgun launcher.

  12. Free energy landscapes for the thermodynamic understanding of adsorption-induced deformations and structural transitions in porous materials

    NASA Astrophysics Data System (ADS)

    Bousquet, D.; Coudert, F.-X.; Boutin, A.

    2012-07-01

    Soft porous crystals are flexible metal-organic frameworks that respond to physical stimuli such as temperature, pressure, and gas adsorption by large changes in their structure and unit cell volume. While they have attracted a lot of interest, molecular simulation methods that directly couple adsorption and large structural deformations in an efficient manner are still lacking. We propose here a new Monte Carlo simulation method based on non-Boltzmann sampling in (guest loading, volume) space using the Wang-Landau algorithm, and show that it can be used to fully characterize the adsorption properties and the material's response to adsorption at thermodynamic equilibrium. We showcase this new method on a simple model of the MIL-53 family of breathing materials, demonstrating its potential and contrasting it with the pitfalls of direct, Boltzmann simulations. We furthermore propose an explanation for the hysteretic nature of adsorption in terms of free energy barriers between the two metastable host phases.

  13. The distribution of nitrogen species and adsorption of ammonium in sediments from the tidal Potomac River and estuary

    USGS Publications Warehouse

    Simon, N.S.; Kennedy, M.M.

    1987-01-01

    The distribution of dissolved ammonium, adsorbed ammonium and residual, organic and total nitrogen was measured in Potomac River tidal, transition zone and lower estuary sediments to a depth of 66 cm. For these sediments, exchangeable ammonium, and thereby adsorbed ammonium concentrations, were determined directly using an ammonia electrode in alkaline sediment suspensions. Ammonia electrode data were comparable to data obtained by KCl extraction of fresh sediment. The conventional unitless ammonium adsorption coefficient, calculated as the slope of the regression line drawn when sediment-adsorbed ammonium (??mol g-1 dry wt of sediment) is plotted against interstitial water ammonium (??mol g-1 dry wt sediment), is 1??5 for this system. When a modified ammonium adsorption coefficient is calculated from sediment-adsorbed ammonium concentrations and a ratio of interstitial water ammonium and potassium concentrations, the regression equation through the data has a zero intercept and is more nearly linear than the regression equation of data based on conventional calculations. The use of a ratio including ammonium and potassium concentrations in the interstitial water term takes into account ionic strength variations in the estuary and competition between ammonium and potassium for adsorption sites. ?? 1987.

  14. Aftershock Energy Distribution by Statistical Mechanics Approach

    NASA Astrophysics Data System (ADS)

    Daminelli, R.; Marcellini, A.

    2015-12-01

    The aim of our work is to research the most probable distribution of the energy of aftershocks. We started by applying one of the fundamental principles of statistical mechanics that, in case of aftershock sequences, it could be expressed as: the greater the number of different ways in which the energy of aftershocks can be arranged among the energy cells in phase space the more probable the distribution. We assume that each cell in phase space has the same possibility to be occupied, and that more than one cell in the phase space can have the same energy. Seeing that seismic energy is proportional to products of different parameters, a number of different combinations of parameters can produce different energies (e.g., different combination of stress drop and fault area can release the same seismic energy). Let us assume that there are gi cells in the aftershock phase space characterised by the same energy released ɛi. Therefore we can assume that the Maxwell-Boltzmann statistics can be applied to aftershock sequences with the proviso that the judgment on the validity of this hypothesis is the agreement with the data. The aftershock energy distribution can therefore be written as follow: n(ɛ)=Ag(ɛ)exp(-βɛ)where n(ɛ) is the number of aftershocks with energy, ɛ, A and β are constants. Considering the above hypothesis, we can assume g(ɛ) is proportional to ɛ. We selected and analysed different aftershock sequences (data extracted from Earthquake Catalogs of SCEC, of INGV-CNT and other institutions) with a minimum magnitude retained ML=2 (in some cases ML=2.6) and a time window of 35 days. The results of our model are in agreement with the data, except in the very low energy band, where our model resulted in a moderate overestimation.

  15. Physical and chemical nature of the scaling relations between adsorption energies of atoms on metal surfaces.

    PubMed

    Calle-Vallejo, F; Martínez, J I; García-Lastra, J M; Rossmeisl, J; Koper, M T M

    2012-03-16

    Despite their importance in physics and chemistry, the origin and extent of the scaling relations between the energetics of adsorbed species on surfaces remain elusive. We demonstrate here that scalability is not exclusive to adsorbed atoms and their hydrogenated species but rather a general phenomenon between any set of adsorbates bound similarly to the surface. On the example of the near-surface alloys of Pt, we show that scalability is a result of identical variations of adsorption energies with respect to the valence configuration of both the surface components and the adsorbates. PMID:22540492

  16. A Fossilized Energy Distribution of Lightning

    NASA Astrophysics Data System (ADS)

    Pasek, Matthew A.; Hurst, Marc

    2016-07-01

    When lightning strikes soil, it may generate a cylindrical tube of glass known as a fulgurite. The morphology of a fulgurite is ultimately a consequence of the energy of the lightning strike that formed it, and hence fulgurites may be useful in elucidating the energy distribution frequency of cloud-to-ground lightning. Fulgurites from sand mines in Polk County, Florida, USA were collected and analyzed to determine morphologic properties. Here we show that the energy per unit length of lightning strikes within quartz sand has a geometric mean of ~1.0 MJ/m, and that the distribution is lognormal with respect to energy per length and frequency. Energy per length is determined from fulgurites as a function of diameter, and frequency is determined both by cumulative number and by cumulative length. This distribution parallels those determined for a number of lightning parameters measured in actual atmospheric discharge events, such as charge transferred, voltage, and action integral. This methodology suggests a potential useful pathway for elucidating lightning energy and damage potential of strikes.

  17. A Fossilized Energy Distribution of Lightning

    PubMed Central

    Pasek, Matthew A.; Hurst, Marc

    2016-01-01

    When lightning strikes soil, it may generate a cylindrical tube of glass known as a fulgurite. The morphology of a fulgurite is ultimately a consequence of the energy of the lightning strike that formed it, and hence fulgurites may be useful in elucidating the energy distribution frequency of cloud-to-ground lightning. Fulgurites from sand mines in Polk County, Florida, USA were collected and analyzed to determine morphologic properties. Here we show that the energy per unit length of lightning strikes within quartz sand has a geometric mean of ~1.0 MJ/m, and that the distribution is lognormal with respect to energy per length and frequency. Energy per length is determined from fulgurites as a function of diameter, and frequency is determined both by cumulative number and by cumulative length. This distribution parallels those determined for a number of lightning parameters measured in actual atmospheric discharge events, such as charge transferred, voltage, and action integral. This methodology suggests a potential useful pathway for elucidating lightning energy and damage potential of strikes. PMID:27466230

  18. A Fossilized Energy Distribution of Lightning.

    PubMed

    Pasek, Matthew A; Hurst, Marc

    2016-01-01

    When lightning strikes soil, it may generate a cylindrical tube of glass known as a fulgurite. The morphology of a fulgurite is ultimately a consequence of the energy of the lightning strike that formed it, and hence fulgurites may be useful in elucidating the energy distribution frequency of cloud-to-ground lightning. Fulgurites from sand mines in Polk County, Florida, USA were collected and analyzed to determine morphologic properties. Here we show that the energy per unit length of lightning strikes within quartz sand has a geometric mean of ~1.0 MJ/m, and that the distribution is lognormal with respect to energy per length and frequency. Energy per length is determined from fulgurites as a function of diameter, and frequency is determined both by cumulative number and by cumulative length. This distribution parallels those determined for a number of lightning parameters measured in actual atmospheric discharge events, such as charge transferred, voltage, and action integral. This methodology suggests a potential useful pathway for elucidating lightning energy and damage potential of strikes. PMID:27466230

  19. A Fossilized Energy Distribution of Lightning.

    PubMed

    Pasek, Matthew A; Hurst, Marc

    2016-07-28

    When lightning strikes soil, it may generate a cylindrical tube of glass known as a fulgurite. The morphology of a fulgurite is ultimately a consequence of the energy of the lightning strike that formed it, and hence fulgurites may be useful in elucidating the energy distribution frequency of cloud-to-ground lightning. Fulgurites from sand mines in Polk County, Florida, USA were collected and analyzed to determine morphologic properties. Here we show that the energy per unit length of lightning strikes within quartz sand has a geometric mean of ~1.0 MJ/m, and that the distribution is lognormal with respect to energy per length and frequency. Energy per length is determined from fulgurites as a function of diameter, and frequency is determined both by cumulative number and by cumulative length. This distribution parallels those determined for a number of lightning parameters measured in actual atmospheric discharge events, such as charge transferred, voltage, and action integral. This methodology suggests a potential useful pathway for elucidating lightning energy and damage potential of strikes.

  20. Heat of adsorption and density distribution in slit pores with defective walls: GCMC simulation studies and comparison with experimental data

    NASA Astrophysics Data System (ADS)

    Do, D. D.; Nicholson, D.; Do, H. D.

    2007-04-01

    The adsorption behavior (capacity, density distribution and packing density) and the isosteric heat versus loading in a slit pore whose walls contain defective graphene layers are investigated in this paper. The defective wall is characterized by the extent and size of the defect. Simulation results obtained with the Grand Canonical Monte Carlo method reveal complex patterns of isosteric heat, and this complex behavior is a result of the interplay between three factors: (i) the surface heterogeneity (solid-fluid interaction, sites with varying degree of affinity), (ii) fluid-fluid interaction and (iii) the overlapping of potentials exerted by the two defective walls. We illustrate this with argon adsorption in pores of various sizes, and results obtained from the simulation agree qualitatively with the experimental data at 77 K on Saran microporous S600H and micro-mesoporous S84 charcoals of Beebe et al. [R.A. Beebe, B. Millard, J. Cynarski, J. Am. Chem. Soc. 75 (1953) 839]. The S600H was found to contain pores predominantly in the neighborhood of 7 Å with 30% of defect and a defective size of 2.84 Å. This is consistent with the argument made by Beebe et al. that this sample is a microporous solid and most pores can accommodate only one layer. The other sample, S84, has larger pores than S600H, and it is found that it has a wider pore size distribution and the pore width is centered at about 12 Å.

  1. Electron energy-distribution functions in gases

    SciTech Connect

    Pitchford, L.C.

    1981-01-01

    Numerical calculation of the electron energy distribution functions in the regime of drift tube experiments is discussed. The discussion is limited to constant applied fields and values of E/N (ratio of electric field strength to neutral density) low enough that electron growth due to ionization can be neglected. (GHT)

  2. Energy Storage and Distributed Energy Generation Project, Final Project Report

    SciTech Connect

    Schwank, Johannes; Mader, Jerry; Chen, Xiaoyin; Mi, Chris; Linic, Suljo; Sastry, Ann Marie; Stefanopoulou, Anna; Thompson, Levi; Varde, Keshav

    2008-03-31

    This report serves as a Final Report under the “Energy Storage and Distribution Energy Generation Project” carried out by the Transportation Energy Center (TEC) at the University of Michigan (UM). An interdisciplinary research team has been working on fundamental and applied research on: -distributed power generation and microgrids, -power electronics, and -advanced energy storage. The long-term objective of the project was to provide a framework for identifying fundamental research solutions to technology challenges of transmission and distribution, with special emphasis on distributed power generation, energy storage, control methodologies, and power electronics for microgrids, and to develop enabling technologies for novel energy storage and harvesting concepts that can be simulated, tested, and scaled up to provide relief for both underserved and overstressed portions of the Nation’s grid. TEC’s research is closely associated with Sections 5.0 and 6.0 of the DOE "Five-year Program Plan for FY2008 to FY2012 for Electric Transmission and Distribution Programs, August 2006.”

  3. Spectral unfolding of fast neutron energy distributions

    NASA Astrophysics Data System (ADS)

    Mosby, Michelle; Jackman, Kevin; Engle, Jonathan

    2015-10-01

    The characterization of the energy distribution of a neutron flux is difficult in experiments with constrained geometry where techniques such as time of flight cannot be used to resolve the distribution. The measurement of neutron fluxes in reactors, which often present similar challenges, has been accomplished using radioactivation foils as an indirect probe. Spectral unfolding codes use statistical methods to adjust MCNP predictions of neutron energy distributions using quantified radioactive residuals produced in these foils. We have applied a modification of this established neutron flux characterization technique to experimentally characterize the neutron flux in the critical assemblies at the Nevada National Security Site (NNSS) and the spallation neutron flux at the Isotope Production Facility (IPF) at Los Alamos National Laboratory (LANL). Results of the unfolding procedure are presented and compared with a priori MCNP predictions, and the implications for measurements using the neutron fluxes at these facilities are discussed.

  4. Energy dependent 4-dimensional multiple scattering distributions

    NASA Astrophysics Data System (ADS)

    Tschalär, C.

    1984-12-01

    A complete analytic solution in Fourier space is presented of the four dimensional small angle, multiple scattering distribution MSD in angle and space, produced by an energy dependent single scattering cross section from an initial pencil beam of heavy particles. Independently, simple integrals are derived for the central moments of the energy dependent MSD in the continuous-slowing-down approximation. The distributions of the projections t and x of the scattering angle and displacement into a plane through the axis of propagation are evaluated numerically for a truncated Rutherford scattering cross section using a fast Fourier transform. The resulting MSDs for a wide range of particles, initial and final momenta, and scattering materials are found to be approximately represented by one-dimensional set of standard distributions symmetrized by a linear transformation in t- x-space.

  5. Energies of the adsorption of functional groups to calcium carbonate polymorphs: the importance of -OH and -COOH groups.

    PubMed

    Okhrimenko, D V; Nissenbaum, J; Andersson, M P; Olsson, M H M; Stipp, S L S

    2013-09-01

    The adsorption behavior of calcium carbonate is an important factor in many processes in nature, industry, and biological systems. We determined and compared the adsorption energies for a series of small molecules of different sizes and polarities (i.e., water, several alcohols, and acetic acid) on three synthetic CaCO3 polymorphs (calcite, aragonite, and vaterite). We measured isosteric heats of adsorption from vapor adsorption isotherms for 273 < T < 293 K, and we used XRD and SEM to confirm that samples did not change phase during the experiments. Density functional calculations and molecular dynamics simulations complemented the experimental results and aided interpretation. Alcohols with molecular mass greater than that of methanol bind more strongly to the calcium carbonate polymorphs than water and acetic acid. The adsorption energies for the alcohols are typical of chemisorption and indicate alcohol displacement of water from calcium carbonate surfaces. This explains why organisms favor biomolecules that contain alcohol functional groups (-OH) to control which polymorph they use, the crystal face and orientation, and the particle shape and size in biomineralization processes. This new insight is also very useful in understanding organic molecule adsorption mechanisms in soils, sediments, and rocks, which is important for predicting the behavior of mineral-fluid interactions when the challenge is to remediate contaminated groundwater aquifers or to produce oil and gas from reservoirs.

  6. Metal-phthalocyanine ordered layers on Au(110): Metal-dependent adsorption energy

    SciTech Connect

    Massimi, Lorenzo Angelucci, Marco; Gargiani, Pierluigi; Betti, Maria Grazia; Montoro, Silvia; Mariani, Carlo

    2014-06-28

    Iron-phthalocyanine and cobalt-phthalocyanine chains, assembled along the Au(110)-(1×2) reconstructed channels, present a strong interaction with the Au metallic states, via the central metal ion. X-ray photoemission spectroscopy from the metal-2p core-levels and valence band high-resolution ultraviolet photoelectron spectroscopy bring to light signatures of the interaction of the metal-phthalocyanine single-layer with gold. The charge transfer from Au to the molecule causes the emerging of a metal-2p core level component at lower binding energy with respect to that measured in the molecular thin films, while the core-levels associated to the organic macrocycle (C and N 1s) are less influenced by the adsorption, and the macrocycles stabilize the interaction, inducing a strong interface dipole. Temperature Programmed Desorption experiments and photoemission as a function of temperature allow to estimate the adsorption energy for the thin-films, mainly due to the molecule-molecule van der Waals interaction, while the FePc and CoPc single-layers remain adsorbed on the Au surface up to at least 820 K.

  7. Adsorption of Organic Compounds to Diesel Soot: Frontal Analysis and Polyparameter Linear Free-Energy Relationship.

    PubMed

    Lu, Zhijiang; MacFarlane, John K; Gschwend, Philip M

    2016-01-01

    Black carbons (BCs) dominate the sorption of many hydrophobic organic compounds (HOCs) in soils and sediments, thereby reducing the HOCs' mobilities and bioavailabilities. However, we do not have data for diverse HOCs' sorption to BC because it is time-consuming and labor-intensive to obtain isotherms on soot and other BCs. In this study, we developed a frontal analysis chromatographic method to investigate the adsorption of 21 organic compounds with diverse functional groups to NIST diesel soot. This method was precise and time-efficient, typically taking only a few hours to obtain an isotherm. Based on 102 soot-carbon normalized sorption coefficients (KsootC) acquired at different sorbate concentrations, a sorbate-activity-dependent polyparameter linear free-energy relationship was established: logKsootC = (3.74 ± 0.11)V + ((-0.35 ± 0.02)log ai)E + (-0.62 ± 0.10)A + (-3.35 ± 0.11)B + (-1.45 ± 0.09); (N = 102, R(2) = 0.96, SE = 0.18), where V, E, A, and B are the sorbate's McGowan's characteristic volume, excess molar refraction, and hydrogen acidity and basicity, respectively; and ai is the sorbate's aqueous activity reflecting the system's approach to saturation. The difference in dispersive interactions with the soot versus with the water was the dominant factor encouraging adsorption, and H-bonding interactions discouraged this process. Using this relationship, soot-water and sediment-water or soil-water adsorption coefficients of HOCs of interest (PAHs and PCBs) were estimated and compared with the results reported in the literature. PMID:26587648

  8. Distributed energy tapestry for heating the landscape

    NASA Astrophysics Data System (ADS)

    Rocha, L. A. O.; Lorente, S.; Bejan, A.

    2010-12-01

    Here we show that the production and use of heating on an area must be distributed in clusters organized such that the losses associated with centers of production are balanced by the losses associated with distribution lines. The energy needs increase in time because the population density and the individual need increase. We consider only the increase in the individual need in time. We illustrate the "distributed energy systems" concept with the production and distribution of hot water on an area. Four classes of designs are analyzed and compared: (0) individual, i.e., one water heater for one user, (r) radial, i.e., N users supplied via radial pipes from a central heater, (2) dendritic network constructed by pairing N users around a central heating, and (4) dendritic network constructed by quadrupling the elemental areas occupied by the users. We show that there is an optimal cluster size (N) as a tradeoff between central losses and distributed losses. We also discover that several distinct (abrupt) design "transitions" must exist: the recommended design changes through designs 0, r, 2, and 4, as the amount of water used by each individual increases in time with the standard of living.

  9. Energy distribution in disordered elastic networks

    NASA Astrophysics Data System (ADS)

    Plaza, Gustavo R.

    2010-09-01

    Disordered networks are found in many natural and artificial materials, from gels or cytoskeletal structures to metallic foams or bones. Here, the energy distribution in this type of networks is modeled, taking into account the orientation of the struts. A correlation between the orientation and the energy per unit volume is found and described as a function of the connectivity in the network and the relative bending stiffness of the struts. If one or both parameters have relatively large values, the struts aligned in the loading direction present the highest values of energy. On the contrary, if these have relatively small values, the highest values of energy can be reached in the struts oriented transversally. This result allows explaining in a simple way remodeling processes in biological materials, for example, the remodeling of trabecular bone and the reorganization in the cytoskeleton. Additionally, the correlation between the orientation, the affinity, and the bending-stretching ratio in the network is discussed.

  10. On sulfur core level binding energies in thiol self-assembly and alternative adsorption sites: An experimental and theoretical study

    SciTech Connect

    Jia, Juanjuan; Kara, Abdelkader E-mail: vladimir.esaulov@u-psud.fr; Pasquali, Luca; Bendounan, Azzedine; Sirotti, Fausto; Esaulov, Vladimir A. E-mail: vladimir.esaulov@u-psud.fr

    2015-09-14

    Characteristic core level binding energies (CLBEs) are regularly used to infer the modes of molecular adsorption: orientation, organization, and dissociation processes. Here, we focus on a largely debated situation regarding CLBEs in the case of chalcogen atom bearing molecules. For a thiol, this concerns the case when the CLBE of a thiolate sulfur at an adsorption site can be interpreted alternatively as due to atomic adsorption of a S atom, resulting from dissociation. Results of an investigation of the characteristics of thiol self-assembled monolayers (SAMs) obtained by vacuum evaporative adsorption are presented along with core level binding energy calculations. Thiol ended SAMs of 1,4-benzenedimethanethiol (BDMT) obtained by evaporation on Au display an unconventional CLBE structure at about 161.25 eV, which is close to a known CLBE of a S atom on Au. Adsorption and CLBE calculations for sulfur atoms and BDMT molecules are reported and allow delineating trends as a function of chemisorption on hollow, bridge, and atop sites and including the presence of adatoms. These calculations suggest that the 161.25 eV peak is due to an alternative adsorption site, which could be associated to an atop configuration. Therefore, this may be an alternative interpretation, different from the one involving the adsorption of atomic sulfur resulting from the dissociation process of the S–C bond. Calculated differences in S(2p) CLBEs for free BDMT molecules, SH group sulfur on top of the SAM, and disulfide are also reported to clarify possible errors in assignments.

  11. Volumetric Interpretation of Protein Adsorption: Capacity Scaling with Adsorbate Molecular Weight and Adsorbent Surface Energy

    PubMed Central

    Parhi, Purnendu; Golas, Avantika; Barnthip, Naris; Noh, Hyeran; Vogler, Erwin A.

    2009-01-01

    Silanized-glass-particle adsorbent capacities are extracted from adsorption isotherms of human serum albumin (HSA, 66 kDa), immunoglobulin G (IgG, 160 kDa), fibrinogen (Fib, 341 kDa), and immunoglobulin M (IgM, 1000 kDa) for adsorbent surface energies sampling the observable range of water wettability. Adsorbent capacity expressed as either mass-or-moles per-unit-adsorbent-area increases with protein molecular weight (MW) in a manner that is quantitatively inconsistent with the idea that proteins adsorb as a monolayer at the solution-material interface in any physically-realizable configuration or state of denaturation. Capacity decreases monotonically with increasing adsorbent hydrophilicity to the limit-of-detection (LOD) near τo = 30 dyne/cm (θ~65o) for all protein/surface combinations studied (where τo≡γlvocosθ is the water adhesion tension, γlvo is the interfacial tension of pure-buffer solution, and θ is the buffer advancing contact angle). Experimental evidence thus shows that adsorbent capacity depends on both adsorbent surface energy and adsorbate size. Comparison of theory to experiment implies that proteins do not adsorb onto a two-dimensional (2D) interfacial plane as frequently depicted in the literature but rather partition from solution into a three-dimensional (3D) interphase region that separates the physical surface from bulk solution. This interphase has a finite volume related to the dimensions of hydrated protein in the adsorbed state (defining “layer” thickness). The interphase can be comprised of a number of adsorbed-protein layers depending on the solution concentration in which adsorbent is immersed, molecular volume of the adsorbing protein (proportional to MW), and adsorbent hydrophilicity. Multilayer adsorption accounts for adsorbent capacity over-and-above monolayer and is inconsistent with the idea that protein adsorbs to surfaces primarily through protein/surface interactions because proteins within second (or higher

  12. Adsorption energies for a nanoporous carbon from gas-solid chromatography and molecular mechanics.

    PubMed

    Rybolt, Thomas R; Ziegler, Katherine A; Thomas, Howard E; Boyd, Jennifer L; Ridgeway, Mark E

    2006-04-01

    Gas-solid chromatography was used to obtain second gas-solid virial coefficients, B2s, in the temperature range 342-613 K for methane, ethane, propane, butane, 2-methylpropane, chloromethane, chlorodifluoromethane, dichloromethane, and dichlorodifluoromethane. The adsorbent used was Carbosieve S-III (Supelco), a carbon powder with fairly uniform, predominately 0.55 nm slit width pores and a N2 BET surface area of 995 m2/g. The temperature dependence of B2s was used to determine experimental values of the gas-solid interaction energy, E*, for each of these molecular adsorbates. MM2 and MM3 molecular mechanics calculations were used to determine the gas-solid interaction energy, E*(cal), for each of the molecules on various flat and nanoporous model surfaces. The flat model consisted of three parallel graphene layers with each graphene layer containing 127 interconnected benzene rings. The nanoporous model consisted of two sets of three parallel graphene layers adjacent to one another but separated to represent the pore diameter. A variety of calculated adsorption energies, E*(cal), were compared and correlated to the experimental E* values. It was determined that simple molecular mechanics could be used to calculate an attraction energy parameter between an adsorbed molecule and the carbon surface. The best correlation between the E*(cal) and E* values was provided by a 0.50 nm nanoporous model using MM2 parameters.

  13. Adsorption, uptake and distribution of gold nanoparticles in Daphnia magna following long term exposure.

    PubMed

    Botha, Tarryn Lee; Boodhia, Kailen; Wepener, Victor

    2016-01-01

    Gold nanoparticles (nAu) have recently been studied and developed within the biological and photothermal therapeutic contexts. The major clinical interest is within the application of novel drug delivery systems. Environmental exposure to nanoparticles can occur in different stages of the lifecycle of the product; from their synthesis, applications, product weathering and their disposal. Freshwater Daphnids, specifically Daphnia magna, have been used since the 1960s as a standard species in acute and chronic aquatic toxicity testing. Visualization of the interactions and uptake of nAu by D. magna was related to reproduction and molting patterns. Exposure to nAu was done using a chronic reproduction test performed for 14 days at six concentrations (0.5mg/L, 2mg/L, 5mg/L, 10mg/L, 15mg/L and 20mg/L). Microscopy was used to determine whether there was any uptake or interaction of nAu with daphnia. However the concentration of nAu in the media and the charge of particles played a role in the uptake and surface adsorption. As exposure concentrations of nAu increased it appeared that the nAu aggregated onto the surface and in the gut of the organisms in higher concentrations. There was no evidence of nAu internalization into the body cavity of the daphnia. Aquatic exposure to nAu resulted in increased adhesion of the particles to the carapace of daphnia, ingestion and uptake into the gut of daphnia and had no significant effect on reproduction and molting patterns.

  14. Adsorption characteristics of siloxanes in landfill gas by the adsorption equilibrium test

    SciTech Connect

    Nam, Sangchul; Namkoong, Wan; Kang, Jeong-Hee; Park, Jin-Kyu; Lee, Namhoon

    2013-10-15

    Highlights: • Equilibrium test was attempted to evaluate adsorption characteristics of siloxane. • L2 had higher removal efficiency in carbon compared to noncarbon adsorbents. • Total adsorption capacity of siloxane was 300 mg/g by coal activated carbon. • Adsorption characteristics rely on size of siloxane molecule and adsorbent pore. • Conversion of siloxane was caused by adsorption of noncarbon adsorbents. - Abstract: Due to the increase in energy cost by constantly high oil prices and the obligation to reduce greenhouse effect gases, landfill gas is frequently used as an alternative energy source for producing heat and electricity. Most of landfill gas utility facilities, however, are experiencing problems controlling siloxanes from landfill gas as their catalytic oxidizers are becoming fouled by silicon dioxide dust. To evaluate adsorption characteristics of siloxanes, an adsorption equilibrium test was conducted and parameters in the Freundlich and Langmuir isotherms were analyzed. Coconut activated carbon (CA1), coal activated carbon (CA2), impregnated activated carbon (CA3), silicagel (NCA1), and activated alumina (NCA2) were used for the adsorption of the mixed siloxane which contained hexamethyldisiloxane (L2), octamethylcyclotetrasiloxane (D4), and decamethylcyclopentasiloxane (D5). L2 had higher removal efficiency in noncarbon adsorbents compared to carbon adsorbents. The application of Langmuir and Freundlich adsorption isotherm demonstrated that coconut based CA1 and CA3 provided higher adsorption capacity on L2. And CA2 and NCA1 provided higher adsorption capacity on D4 and D5. Based on the experimental results, L2, D4, and D5 were converted by adsorption and desorption in noncarbon adsorbents. Adsorption affinity of siloxane is considered to be affect by the pore size distribution of the adsorbents and by the molecular size of each siloxane.

  15. Adsorption of nicotine from aqueous solution onto hydrophobic zeolite type USY

    NASA Astrophysics Data System (ADS)

    Lazarevic, Natasa; Adnadjevic, Borivoj; Jovanovic, Jelena

    2011-07-01

    The isothermal adsorption of nicotine from an aqueous solution onto zeolite type USY was investigated. The adsorption isotherms of nicotine onto the zeolite at different temperatures ranging from 298 to 322 K were determined. It was found that the adsorption isotherms can be described by the model of Freundlich adsorption isotherm. Based on the adsorption isotherms the changes of adsorption heat, free energy and entropy with adsorption degree were determined. The determined decrease of adsorption heat with adsorption degree can be explained by the presence of the adsorption centers of different energy and concentration on interface of zeolite-nicotine solution. It was found that the probability function of density distribution of the heat of adsorption (DDF) has exponential form. It was concluded that the possibility of fitting the adsorption isotherms of nicotine onto the zeolite by Freundlich adsorption isotherm was a direct consequence of that. The determined increase in entropy with the increase in adsorption degree can be explained with the change of phase state of adsorbed nicotine.

  16. Smart Operations in Distributed Energy Resources System

    NASA Astrophysics Data System (ADS)

    Wei, Li; Jie, Shu; Zhang-XianYong; Qing, Zhou

    Smart grid capabilities are being proposed to help solve the challenges concerning system operations due to that the trade-offs between energy and environmental needs will be constantly negotiated while a reliable supply of electricity needs even greater assurance in case of that threats of disruption have risen. This paper mainly explores models for distributed energy resources system (DG, storage, and load),and also reviews the evolving nature of electricity markets to deal with this complexity and a change of emphasis on signals from these markets to affect power system control. Smart grid capabilities will also impact reliable operations, while cyber security issues must be solved as a culture change that influences all system design, implementation, and maintenance. Lastly, the paper explores significant questions for further research and the need for a simulation environment that supports such investigation and informs deployments to mitigate operational issues as they arise.

  17. Structural optimization based on internal energy distribution

    NASA Astrophysics Data System (ADS)

    Öman, Michael; Nilsson, Larsgunnar

    2013-04-01

    Structural optimization is a valuable tool to improve the performance of products, but it is in general expensive to perform due to the required extensive number of function evaluations. Therefore, an approximate method based on the internal energy distribution, which only requires a small number of function evaluations, is presented here. By this method, structural optimization can be enabled already in the initial steps in the design of new products when fast, but not necessarily precise, results are often desired. However, the accuracy of the approximate solution depends on the structural behaviour. The internal energy based optimization method is here validated for three structures, but it is believed to be applicable to any structure subjected to a single load where the functions considered are related to the displacement of the loaded area and/or the material thicknesses of the structural parts.

  18. Energy dependent sticking coefficients of trimethylamine on Si(001)-Influence of the datively bonded intermediate state on the adsorption dynamics

    NASA Astrophysics Data System (ADS)

    Lipponer, M. A.; Reutzel, M.; Dürr, M.; Höfer, U.

    2016-11-01

    The adsorption dynamics of the datively bonded trimethylamine (TMA) on Si(001) was investigated by means of molecular beam techniques. The initial sticking probability s0 of TMA on Si(001) was measured as a function of kinetic energy at two different surface temperatures (230 and 550 K). At given surface temperature, s0 was found to decrease with increasing kinetic energy (0.1 to 0.6 eV) indicating a non-activated reaction channel. At increased surface temperature, s0 is reduced due to the onset of desorption into the gas phase. The energy dependence of s0 is compared to the results for the adsorption of tetrahydrofuran (THF) on Si(001), which reacts via a datively bonded intermediate into a covalently bound final state. As s0 follows the same energy dependence both for TMA and THF, the datively bonded intermediate state is concluded to dominate the reaction dynamics in the latter case as well.

  19. Potential of mean force calculation of the free energy of adsorption of Type I winter flounder antifreeze protein on ice

    NASA Astrophysics Data System (ADS)

    Battle, Keith; Alan Salter, E.; Wesley Edmunds, R.; Wierzbicki, Andrzej

    2010-04-01

    Antifreeze proteins (AFPs) are a unique class of proteins that inhibit ice growth without changing the melting point of ice. In this work, we study the detailed molecular mechanism of interactions between the hydrophobic side of the winter flounder (WF) AFP and two mutants, AAAA and SSSS, in which threonine residues are substituted by serines and alanines, respectively. Umbrella sampling molecular dynamics simulations of the separation of the proteins from the (2 0 1) surface in an explicit water box is carried out to calculate the potential of mean force free energies of adsorption using AMBER10i. We estimate wild-type WF's free energy of adsorption to ice to be about -12.0 kcal/mol. Gas-phase pseudopotential plane-wave calculations of methane adsorption onto select surfaces of ice are also carried out under periodic boundary conditions to address the possible enthalpic role of WF's methyl groups in binding. The contributions of hydrophobic residues to the free energy of adsorption are discussed.

  20. Distributed Energy Resources Market Diffusion Model

    SciTech Connect

    Maribu, Karl Magnus; Firestone, Ryan; Marnay, Chris; Siddiqui,Afzal S.

    2006-06-16

    Distributed generation (DG) technologies, such as gas-fired reciprocating engines and microturbines, have been found to be economically beneficial in meeting commercial-sector electrical, heating, and cooling loads. Even though the electric-only efficiency of DG is lower than that offered by traditional central stations, combined heat and power (CHP) applications using recovered heat can make the overall system energy efficiency of distributed energy resources (DER) greater. From a policy perspective, however, it would be useful to have good estimates of penetration rates of DER under various economic and regulatory scenarios. In order to examine the extent to which DER systems may be adopted at a national level, we model the diffusion of DER in the US commercial building sector under different technical research and technology outreach scenarios. In this context, technology market diffusion is assumed to depend on the system's economic attractiveness and the developer's knowledge about the technology. The latter can be spread both by word-of-mouth and by public outreach programs. To account for regional differences in energy markets and climates, as well as the economic potential for different building types, optimal DER systems are found for several building types and regions. Technology diffusion is then predicted via two scenarios: a baseline scenario and a program scenario, in which more research improves DER performance and stronger technology outreach programs increase DER knowledge. The results depict a large and diverse market where both optimal installed capacity and profitability vary significantly across regions and building types. According to the technology diffusion model, the West region will take the lead in DER installations mainly due to high electricity prices, followed by a later adoption in the Northeast and Midwest regions. Since the DER market is in an early stage, both technology research and outreach programs have the potential to increase

  1. Determination of the surface energy distributions of different processed lactose.

    PubMed

    Thielmann, Frank; Burnett, Daniel J; Heng, Jerry Y Y

    2007-11-01

    Particulate interactions between drug and lactose carrier in dry powder inhaler formulations are affected by the heterogenous energy distribution on the surface of the individual compounds. A new method based on Inverse Gas Chromatography at finite concentration is applied to study the energy heterogeneity of untreated, milled, and recrystallized lactose of similar particle size distribution. Energy distributions for the dispersive surface energy and the specific free energy of ethanol are obtained. Milling causes an increase in surface energy due to formation of amorphous regions. Untreated and recrystallized materials have similar surface energies at low surface coverages but show clear differences in energy distribution. PMID:18058321

  2. The Adsorption of Arsenic on Iron Pipes in Water Distribution Systems

    EPA Science Inventory

    In order to remain compliant with the U.S. EPA’s Lead and Copper rule, it is pivotal to understand the relationship between factors affecting lead release in drinking water distribution systems. Lead solids were synthesized in cell experiments using a pH range of 6-11 with both 1...

  3. Coordinated Collaboration between Heterogeneous Distributed Energy Resources

    DOE PAGES

    Abdollahy, Shahin; Lavrova, Olga; Mammoli, Andrea

    2014-01-01

    A power distribution feeder, where a heterogeneous set of distributed energy resources is deployed, is examined by simulation. The energy resources include PV, battery storage, natural gas GenSet, fuel cells, and active thermal storage for commercial buildings. The resource scenario considered is one that may exist in a not too distant future. Two cases of interaction between different resources are examined. One interaction involves a GenSet used to partially offset the duty cycle of a smoothing battery connected to a large PV system. The other example involves the coordination of twenty thermal storage devices, each associated with a commercial building.more » Storage devices are intended to provide maximum benefit to the building, but it is shown that this can have a deleterious effect on the overall system, unless the action of the individual storage devices is coordinated. A network based approach is also introduced to calculate some type of effectiveness metric to all available resources which take part in coordinated operation. The main finding is that it is possible to achieve synergy between DERs on a system; however this required a unified strategy to coordinate the action of all devices in a decentralized way.« less

  4. Adsorption energies of poly(ethylene oxide)-based surfactants and nanoparticles on an air-water surface.

    PubMed

    Zell, Zachary A; Isa, Lucio; Ilg, Patrick; Leal, L Gary; Squires, Todd M

    2014-01-14

    The self-assembly of polymer-based surfactants and nanoparticles on fluid-fluid interfaces is central to many applications, including dispersion stabilization, creation of novel 2D materials, and surface patterning. Very often these processes involve compressing interfacial monolayers of particles or polymers to obtain a desired material microstructure. At high surface pressures, however, even highly interfacially active objects can desorb from the interface. Methods of directly measuring the energy which keeps the polymer or particles bound to the interface (adsorption/desorption energies) are therefore of high interest for these processes. Moreover, though a geometric description linking adsorption energy and wetting properties through the definition of a contact angle can be established for rigid nano- or microparticles, such a description breaks down for deformable or aggregating objects. Here, we demonstrate a technique to quantify desorption energies directly, by comparing surface pressure-density compression measurements using a Wilhelmy plate and a custom-microfabricated deflection tensiometer. We focus on poly(ethylene oxide)-based polymers and nanoparticles. For PEO-based homo- and copolymers, the adsorption energy of PEO chains scales linearly with molecular weight and can be tuned by changing the subphase composition. Moreover, the desorption surface pressure of PEO-stabilized nanoparticles corresponds to the saturation surface pressure for spontaneously adsorbed monolayers, yielding trapping energies of ∼10(3) k(B)T. PMID:24328531

  5. Advanced Energy Storage Management in Distribution Network

    SciTech Connect

    Liu, Guodong; Ceylan, Oguzhan; Xiao, Bailu; Starke, Michael R; Ollis, T Ben; King, Daniel J; Irminger, Philip; Tomsovic, Kevin

    2016-01-01

    With increasing penetration of distributed generation (DG) in the distribution networks (DN), the secure and optimal operation of DN has become an important concern. In this paper, an iterative mixed integer quadratic constrained quadratic programming model to optimize the operation of a three phase unbalanced distribution system with high penetration of Photovoltaic (PV) panels, DG and energy storage (ES) is developed. The proposed model minimizes not only the operating cost, including fuel cost and purchasing cost, but also voltage deviations and power loss. The optimization model is based on the linearized sensitivity coefficients between state variables (e.g., node voltages) and control variables (e.g., real and reactive power injections of DG and ES). To avoid slow convergence when close to the optimum, a golden search method is introduced to control the step size and accelerate the convergence. The proposed algorithm is demonstrated on modified IEEE 13 nodes test feeders with multiple PV panels, DG and ES. Numerical simulation results validate the proposed algorithm. Various scenarios of system configuration are studied and some critical findings are concluded.

  6. How to determine the adsorption energy of the surfactant's hydrophilic head? How to estimate easily the surface activity of every simple surfactant?

    PubMed

    Karakashev, Stoyan I

    2014-10-15

    A definite way to determine the adsorption energy of the surfactant's hydrophilic head on the air water interface is presented. For this purpose, the Davies adsorption theory and the most advanced version of Helfand-Frish-Lebowitz adsorption theory were applied to the surface tension isotherms of homologous series of sodium alkyl sulfate (CnH2n+1SO4Na, n=7-12), thus deriving the equilibrium adsorption constant, the cross-sectional area of the surfactant molecule, the interaction coefficient and the cohesion constant versus the number of the carbon atoms into the alkyl sulfate molecule. Thus, the total adsorption energy of each particular homolog was calculated in line with the latest development of the adsorption theory, thus calculating the dimensionless adsorption energy of the hydrophilic head Ehead/kBT. In our particular case (SO4(-)) we calculated Ehead/kBT=-2.79, which indicates the strong propensity of the SO4(-) to be surrounded by water molecules. The procedure for calculation Ehead/kBT does not depend on the charge of the hydrophilic head. Similarly, we calculated Ehead/kBT of another six well known in the literature hydrophilic heads (COOH, OH, DMPO, DEPO, N(CH3)3(+), and NH3(+)), indicating that the adsorption energy of the CH2 group depends slightly on the type of the hydrophilic head, but it affects substantially the adsorption energy of the whole surfactant molecule. Finally, we defined and validated a parameter called adsorption capacity of surfactants with simple molecular structure, for easy estimation of their surface activity. Linear dependence between the CMC of ionic surfactants and their adsorption capacity was established.

  7. Nanometer polymer surface features: the influence on surface energy, protein adsorption and endothelial cell adhesion

    NASA Astrophysics Data System (ADS)

    Carpenter, Joseph; Khang, Dongwoo; Webster, Thomas J.

    2008-12-01

    Current small diameter (<5 mm) synthetic vascular graft materials exhibit poor long-term patency due to thrombosis and intimal hyperplasia. Tissue engineered solutions have yielded functional vascular tissue, but some require an eight-week in vitro culture period prior to implantation—too long for immediate clinical bedside applications. Previous in vitro studies have shown that nanostructured poly(lactic-co-glycolic acid) (PLGA) surfaces elevated endothelial cell adhesion, proliferation, and extracellular matrix synthesis when compared to nanosmooth surfaces. Nonetheless, these studies failed to address the importance of lateral and vertical surface feature dimensionality coupled with surface free energy; nor did such studies elicit an optimum specific surface feature size for promoting endothelial cell adhesion. In this study, a series of highly ordered nanometer to submicron structured PLGA surfaces of identical chemistry were created using a technique employing polystyrene nanobeads and poly(dimethylsiloxane) (PDMS) molds. Results demonstrated increased endothelial cell adhesion on PLGA surfaces with vertical surface features of size less than 18.87 nm but greater than 0 nm due to increased surface energy and subsequently protein (fibronectin and collagen type IV) adsorption. Furthermore, this study provided evidence that the vertical dimension of nanometer surface features, rather than the lateral dimension, is largely responsible for these increases. In this manner, this study provides key design parameters that may promote vascular graft efficacy.

  8. Adsorption of water monomer and clusters on platinum(111) terrace and related steps and kinks: I. Configurations, energies, and hydrogen bonding

    NASA Astrophysics Data System (ADS)

    Árnadóttir, Líney; Stuve, Eric M.; Jónsson, Hannes

    2010-10-01

    Adsorption and rotation of water monomer, dimer, and trimer on the (111) terrace, (221) and (322) stepped, and (763) and (854) kinked surfaces of platinum were studied by density functional theory calculations using the PW91 approximation to the energy functional. On the (111) terrace, water monomer and the donor molecule of the dimer and trimer adsorb at atop sites. The per-molecule adsorption energies of the monomer, dimer, and trimer are 0.30, 0.45, and 0.48 eV, respectively. Rotation of monomers, dimers, and trimers on the terrace is facile with energy barriers of 0.02 eV or less. Adsorption on steps and kinks is stronger than on the terrace, as evidenced by monomer adsorption energies of 0.46 to 0.55 eV. On the (221) stepped surface the zigzag extended configuration is most stable with a per-molecule adsorption energy of 0.57 eV. On the (322) stepped surface the dimer, two configurations of the trimer, and the zigzag configuration have similar adsorption energies of 0.55 ± 0.02 eV. Hydrogen bonding is strongest in the dimer and trimer adsorbed on the terrace, with respective energies of 0.30 and 0.27 eV, and accounts for their increased adsorption energies relative to the monomer. Hydrogen bonding is weak to moderate for adsorption at steps, with energies of 0.04 to 0.15 eV, as the much stronger water-metal interactions inhibit adsorption geometries favorable to hydrogen bonding. Correlations of hydrogen bond angles and energies with hydrogen bond lengths are presented. On the basis of these DFT/PW91 results, a model for water cluster formation on the Pt(111) surface can be formulated where kink sites nucleate chains along the top of step edges, consistent with the experimental findings of Morgenstern et al., Phys. Rev. Lett., 77 (1996) 703.

  9. Energy Efficiency of Distributed Environmental Control Systems

    SciTech Connect

    Khalifa, H. Ezzat; Isik, Can; Dannenhoffer, John F. III

    2011-02-23

    In this report, we present an analytical evaluation of the potential of occupant-regulated distributed environmental control systems (DECS) to enhance individual occupant thermal comfort in an office building with no increase, and possibly even a decrease in annual energy consumption. To this end we developed and applied several analytical models that allowed us to optimize comfort and energy consumption in partitioned office buildings equipped with either conventional central HVAC systems or occupant-regulated DECS. Our approach involved the following interrelated components: 1. Development of a simplified lumped-parameter thermal circuit model to compute the annual energy consumption. This was necessitated by the need to perform tens of thousands of optimization calculations involving different US climatic regions, and different occupant thermal preferences of a population of ~50 office occupants. Yearly transient simulations using TRNSYS, a time-dependent building energy modeling program, were run to determine the robustness of the simplified approach against time-dependent simulations. The simplified model predicts yearly energy consumption within approximately 0.6% of an equivalent transient simulation. Simulations of building energy usage were run for a wide variety of climatic regions and control scenarios, including traditional “one-size-fits-all” (OSFA) control; providing a uniform temperature to the entire building, and occupant-selected “have-it-your-way” (HIYW) control with a thermostat at each workstation. The thermal model shows that, un-optimized, DECS would lead to an increase in building energy consumption between 3-16% compared to the conventional approach depending on the climate regional and personal preferences of building occupants. Variations in building shape had little impact in the relative energy usage. 2. Development of a gradient-based optimization method to minimize energy consumption of DECS while keeping each occupant

  10. Characterizing the energy distribution around GPR antennas

    NASA Astrophysics Data System (ADS)

    Diamanti, Nectaria; Annan, A. Peter

    2013-12-01

    Antenna height, orientation, shielding and subsurface properties all impact GPR responses. Although the basic concepts are generally understood, clarifying the key relationships can aid interpretation. Our long term goal is to develop easily parameterized models of transmitting and receiving components of GPR systems that will provide for quantitative interpretation of data acquired with real systems. Our first step was to develop modeling capacity and response presentation tools to help with development; the initial results have been both informative and forced a better understanding of near and far field. We are using three-dimensional (3D) finite-difference time-domain (FDTD) modeling. Model results can be presented in a variety of forms. In this paper, we focus on presenting the emitted energy characteristics and use radiation pattern display format for infinitesimal dipoles, resistively loaded dipoles and shielded dipoles. Patterns are computed for a range of environments such as free-space and over loss-less half-spaces with various properties. The energy distribution patterns are presented to investigate the behavior with distance away from the transmitter feed point, and as a function of height above the ground surface. The numerical simulations provide expected insights plus demonstrate the benefit of ground-coupling and the impact of shielding on GPR responses. Further, using the total radiated energy parameter is a novel method for displaying directivity, for GPR transient emissions.

  11. Discrete site surface complexation constants for lanthanide adsorption to bacteria as determined by experiments and linear free energy relationships.

    PubMed

    Ngwenya, Bryne T; Magennis, Marisa; Olive, Valerie; Mosselmans, J Fred W; Ellam, Robert M

    2010-01-15

    Bacteria are abundant in many natural and engineered environments where they are thought to exert important controls on the cycling, mobility, bioavailability, and toxicity of metal contaminants. In order to probe their role in moderating the behavior of lanthanides, pH-dependent adsorption edges of 13 individual lanthanides and yttrium to the Gram-negative bacterium Pantoea agglomerans were used to generate discrete site surface complexation constants. The calculated surface complexation constants were compared with stability constants estimated using linear free energy relationships based on a number of hydroxyl-containing ligands. The experimental data suggests that lanthanide adsorption edges below pH 6.5 are consistent with adsorption to phosphate groups for the light and some of the middle lanthanides (La to Gd), whereas some of the middle and heavy lanthanides appear to favor carboxyl co-ordination (Tb to Yb), although exceptions occur in each grouping. The experimentally derived surface complexation constants for carboxyl coordination were of similar magnitude to stability constants estimated from linear free energy correlations using fulvic acid stability constants. The implication is that the adsorption of lanthanides to bacterial surfaces could be modeled reasonably well using lanthanide stability constants for natural organic matter, except perhaps at low pH where phosphate binding dominates. PMID:20000843

  12. Distribution or adsorption: the major dilemma in reversed-phase HPLC

    NASA Astrophysics Data System (ADS)

    Deineka, V. I.

    2008-06-01

    A method is suggested for analyzing the dependences obtained for different compositions of mobile eluent system phases, their slopes and intercepts, log k( i, B) = a + b log k ( i, A), where a is the intercept for the A and B stationary phases and b is the proportionality factor. An analysis requires parallel investigation of sorbate retention on at least three stationary phases with different lengths of grafted hydrocarbon radicals. The dependence of correlation parameters on the sorbate retention mechanism is discussed. It is shown that the hypothetical dependences coincide with the experimental dependences for surface sorption of resveratrol and volume distribution of triglycerides.

  13. Adsorption characteristics of siloxanes in landfill gas by the adsorption equilibrium test.

    PubMed

    Nam, Sangchul; Namkoong, Wan; Kang, Jeong-Hee; Park, Jin-Kyu; Lee, Namhoon

    2013-10-01

    Due to the increase in energy cost by constantly high oil prices and the obligation to reduce greenhouse effect gases, landfill gas is frequently used as an alternative energy source for producing heat and electricity. Most of landfill gas utility facilities, however, are experiencing problems controlling siloxanes from landfill gas as their catalytic oxidizers are becoming fouled by silicon dioxide dust. To evaluate adsorption characteristics of siloxanes, an adsorption equilibrium test was conducted and parameters in the Freundlich and Langmuir isotherms were analyzed. Coconut activated carbon (CA1), coal activated carbon (CA2), impregnated activated carbon (CA3), silicagel (NCA1), and activated alumina (NCA2) were used for the adsorption of the mixed siloxane which contained hexamethyldisiloxane (L2), octamethylcyclotetrasiloxane (D4), and decamethylcyclopentasiloxane (D5). L2 had higher removal efficiency in noncarbon adsorbents compared to carbon adsorbents. The application of Langmuir and Freundlich adsorption isotherm demonstrated that coconut based CA1 and CA3 provided higher adsorption capacity on L2. And CA2 and NCA1 provided higher adsorption capacity on D4 and D5. Based on the experimental results, L2, D4, and D5 were converted by adsorption and desorption in noncarbon adsorbents. Adsorption affinity of siloxane is considered to be affect by the pore size distribution of the adsorbents and by the molecular size of each siloxane.

  14. Adsorption characteristics of siloxanes in landfill gas by the adsorption equilibrium test.

    PubMed

    Nam, Sangchul; Namkoong, Wan; Kang, Jeong-Hee; Park, Jin-Kyu; Lee, Namhoon

    2013-10-01

    Due to the increase in energy cost by constantly high oil prices and the obligation to reduce greenhouse effect gases, landfill gas is frequently used as an alternative energy source for producing heat and electricity. Most of landfill gas utility facilities, however, are experiencing problems controlling siloxanes from landfill gas as their catalytic oxidizers are becoming fouled by silicon dioxide dust. To evaluate adsorption characteristics of siloxanes, an adsorption equilibrium test was conducted and parameters in the Freundlich and Langmuir isotherms were analyzed. Coconut activated carbon (CA1), coal activated carbon (CA2), impregnated activated carbon (CA3), silicagel (NCA1), and activated alumina (NCA2) were used for the adsorption of the mixed siloxane which contained hexamethyldisiloxane (L2), octamethylcyclotetrasiloxane (D4), and decamethylcyclopentasiloxane (D5). L2 had higher removal efficiency in noncarbon adsorbents compared to carbon adsorbents. The application of Langmuir and Freundlich adsorption isotherm demonstrated that coconut based CA1 and CA3 provided higher adsorption capacity on L2. And CA2 and NCA1 provided higher adsorption capacity on D4 and D5. Based on the experimental results, L2, D4, and D5 were converted by adsorption and desorption in noncarbon adsorbents. Adsorption affinity of siloxane is considered to be affect by the pore size distribution of the adsorbents and by the molecular size of each siloxane. PMID:23684695

  15. Effect of seawater salinity on pore-size distribution on a poly(styrene)-based HP20 resin and its adsorption of diarrhetic shellfish toxins.

    PubMed

    Fan, Lin; Sun, Geng; Qiu, Jiangbing; Ma, Qimin; Hess, Philipp; Li, Aifeng

    2014-12-19

    In the present study, okadaic acid (OA) and dinophysistoxin-1 (DTX1) were spiked into artificial seawater at low, medium and high estuarine salinities (9‰, 13.5‰ and 27‰). Passive samplers (HP20 resin) used for solid phase adsorption toxin tracking (SPATT) technology were exposed in these seawaters for 12-h periods. Adsorption curves well fitted a pseudo-secondary kinetics model. The highest initial sorption rates of both toxins occurred in the seawater of medium salinity, followed by seawater of low and high estuarine salinity. Pore volumes of micropores (<2 nm) and small mesopores (2 nmadsorption of toxins in seawater at high and low salinity but not in seawater at medium salinity, which demonstrated that the toxin molecules entered into micropores and mesopores (below 10nm in size) in seawaters of high and low salinity. More toxin or other matrix agglomerates were displayed on the surface of resin deployed in the seawater of medium salinity. Taking into consideration the pore-size distribution and surface images, it appears that intra-particle diffusion governs toxin adsorption in seawater at high salinity while film diffusion mainly controls the adsorption process in seawater at medium salinity. This is the first study to confirm that molecules of OA and DTX1 are able to enter into micropores (<2nm) and small mesopores (2-10nm) of HP20 resin in estuarine seawater with high salinity (∼27‰).

  16. Classical trajectory study of internal energy distributions in unimolecular processes

    NASA Technical Reports Server (NTRS)

    Mcdonald, J. D.; Marcus, R. A.

    1976-01-01

    Energy flow in a molecular system such as CD3Cl or CD3H representing a chemical activation experiment is studied by the method of classical trajectories. A correlation function method is used to obtain energy distributions before and after the breakup of the activated molecule. The energy distribution in the final product is found to be randomly distributed for a surface with no exit channel barrier or strong intermode couplings. Nonrandom energy distributions result when these special forces are present. Product channel barriers result in an excess of translational energy and exit channel intermode couplings result in nonrandom vibrational distributions.

  17. SPECTRAL ENERGY DISTRIBUTIONS OF ACCRETING PROTOPLANETS

    SciTech Connect

    Eisner, J. A.

    2015-04-10

    Planets are often invoked as the cause of inferred gaps or inner clearings in transition disks. These putative planets would interact with the remnant circumstellar disk, accreting gas and generating substantial luminosity. Here I explore the expected appearance of accreting protoplanets at a range of evolutionary states. I compare synthetic spectral energy distributions with the handful of claimed detections of substellar-mass companions in transition disks. While observed fluxes of candidate companions are generally compatible with accreting protoplanets, challenges remain in reconciling the extended structure inferred in observed objects with the compact emission expected from protoplanets or circumplanetary disks. I argue that a large fraction of transition disks should harbor bright protoplanets, and that more may be detected as larger telescopes open up additional parameter space.

  18. Advanced Energy Efficiency and Distributed Renewables

    NASA Astrophysics Data System (ADS)

    Lovins, Amory

    2007-04-01

    The US now wrings twice the GDP from each unit of energy that it did in 1975. Reduced energy intensity since then now provides more than twice as much service as burning oil does. Yet still more efficient end-use of energy -- explained more fully in a companion workshop offered at 1245 -- is the largest, fastest, cheapest, most benign, least understood, and least harnessed energy resource available. For example, existing technologies could save half of 2000 US oil and gas and three-fourths of US electricity, at lower cost than producing and delivering that energy from existing facilities. Saving half the oil through efficiency and replacing the other half with saved natural gas and advanced biofuels would cost an average of only 15/barrel and could eliminate US oil use by the 2040s, led by business for profit. Efficiency techniques and ways to combine and apply them continue to improve faster than they're applied, so the ``efficiency resource'' is becoming ever larger and cheaper. As for electricity, ``micropower'' (distributed renewables plus low-carbon cogeneration) is growing so quickly that by 2005 it provided a sixth of the world's electricity and a third of its new electricity, and was adding annually 4x the capacity and 11x the capacity added by nuclear power, which it surpassed in capacity in 2002 and in output in 2006. Together, micropower and ``negawatts'' (saved electricity) now provide upwards half the world's new electrical services, due to their far lower cost and lower financial risk than the central thermal power stations that still dominate policy discussions. For oil and electricity, each of which adds about two-fifths of the world's energy-related carbon dioxide emissions, efficiency plus competitive alternative supplies can stabilize the earth's climate at a profit, as well as solving the oil and (largely) the nuclear proliferation problems. Conversely, costlier and slower options, notably nuclear power, would displace less carbon emission per

  19. Radionuclide adsorption distribution coefficients measured in Hanford sediments for the low level waste performance assessment project

    SciTech Connect

    Kaplan, D.I.; Serne, R.J.; Owen, A.T.

    1996-08-01

    Preliminary modeling efforts for the Hanford Site`s Low Level Waste-Performance Assessment (LLW PA) identified {sup 129}I, {sup 237}Np, {sup 79}Se, {sup 99}Tc, and {sup 234},{sup 235},{sup 238}U as posing the greatest potential health hazard. It was also determined that the outcome of these simulations was very sensitive to the parameter describing the extent to which radionuclides sorb to the subsurface matrix, i.e., the distribution coefficient (K{sub d}). The distribution coefficient is a ratio of the radionuclide concentration associated with the solid phase to that in the liquid phase. The objectives of this study were to (1) measure iodine, neptunium, technetium, and uranium K{sub d} values using laboratory conditions similar to those expected at the LLW PA disposal site, and (2) evaluate the effect of selected environmental parameters, such as pH, ionic strength, moisture concentration, and radio nuclide concentration, on K{sub d} values of selected radionuclides. It is the intent of these studies to develop technically defensible K{sub d} values for the PA. The approach taken throughout these studies was to measure the key radio nuclide K{sub d} values as a function of several environmental parameters likely to affect their values. Such an approach provides technical defensibility by identifying the mechanisms responsible for trends in K{sub d} values. Additionally, such studies provide valuable guidance regarding the range of K{sub d} values likely to be encountered in the proposed disposal site.

  20. Facile synthesis of ultrahigh-surface-area hollow carbon nanospheres for enhanced adsorption and energy storage

    PubMed Central

    Xu, Fei; Tang, Zhiwei; Huang, Siqi; Chen, Luyi; Liang, Yeru; Mai, Weicong; Zhong, Hui; Fu, Ruowen; Wu, Dingcai

    2015-01-01

    Exceptionally large surface area and well-defined nanostructure are both critical in the field of nanoporous carbons for challenging energy and environmental issues. The pursuit of ultrahigh surface area while maintaining definite nanostructure remains a formidable challenge because extensive creation of pores will undoubtedly give rise to the damage of nanostructures, especially below 100 nm. Here we report that high surface area of up to 3,022 m2 g−1 can be achieved for hollow carbon nanospheres with an outer diameter of 69 nm by a simple carbonization procedure with carefully selected carbon precursors and carbonization conditions. The tailor-made pore structure of hollow carbon nanospheres enables target-oriented applications, as exemplified by their enhanced adsorption capability towards organic vapours, and electrochemical performances as electrodes for supercapacitors and sulphur host materials for lithium–sulphur batteries. The facile approach may open the doors for preparation of highly porous carbons with desired nanostructure for numerous applications. PMID:26072734

  1. Confined energy distribution for charged particle beams

    DOEpatents

    Jason, Andrew J.; Blind, Barbara

    1990-01-01

    A charged particle beam is formed to a relatively larger area beam which is well-contained and has a beam area which relatively uniformly deposits energy over a beam target. Linear optics receive an accelerator beam and output a first beam with a first waist defined by a relatively small size in a first dimension normal to a second dimension. Nonlinear optics, such as an octupole magnet, are located about the first waist and output a second beam having a phase-space distribution which folds the beam edges along the second dimension toward the beam core to develop a well-contained beam and a relatively uniform particle intensity across the beam core. The beam may then be expanded along the second dimension to form the uniform ribbon beam at a selected distance from the nonlinear optics. Alternately, the beam may be passed through a second set of nonlinear optics to fold the beam edges in the first dimension. The beam may then be uniformly expanded along the first and second dimensions to form a well-contained, two-dimensional beam for illuminating a two-dimensional target with a relatively uniform energy deposition.

  2. How realistic is the pore size distribution calculated from adsorption isotherms if activated carbon is composed of fullerene-like fragments?

    PubMed

    Terzyk, Artur P; Furmaniak, Sylwester; Harris, Peter J F; Gauden, Piotr A; Włoch, Jerzy; Kowalczyk, Piotr; Rychlicki, Gerhard

    2007-11-28

    A plausible model for the structure of non-graphitizing carbon is one which consists of curved, fullerene-like fragments grouped together in a random arrangement. Although this model was proposed several years ago, there have been no attempts to calculate the properties of such a structure. Here, we determine the density, pore size distribution and adsorption properties of a model porous carbon constructed from fullerene-like elements. Using the method proposed recently by Bhattacharya and Gubbins (BG), which was tested in this study for ideal and defective carbon slits, the pore size distributions (PSDs) of the initial model and two related carbon models are calculated. The obtained PSD curves show that two structures are micro-mesoporous (with different ratio of micro/mesopores) and the third is strictly microporous. Using the grand canonical Monte Carlo (GCMC) method, adsorption isotherms of Ar (87 K) are simulated for all the structures. Finally PSD curves are calculated using the Horvath-Kawazoe, non-local density functional theory (NLDFT), Nguyen and Do, and Barrett-Joyner-Halenda (BJH) approaches, and compared with those predicted by the BG method. This is the first study in which different methods of calculation of PSDs for carbons from adsorption data can be really verified, since absolute (i.e. true) PSDs are obtained using the BG method. This is also the first study reporting the results of computer simulations of adsorption on fullerene-like carbon models.

  3. Small Deflection Energy Analyzer for Energy and Angular Distributions

    NASA Technical Reports Server (NTRS)

    Herrero, Federico A.

    2009-01-01

    The development of the Small Deflection Energy Analyzer (SDEA) charged-particle spectrometer for energy and angle distributions responds to a longstanding need to measure the wind velocity vector in Earth s thermosphere, and to obtain the ion-drift vector in the ionosphere. The air and ions above 120 km are endowed with bulk velocities and temperatures just like air near the ground, but with separate spatial and temporal variations. It is important to understand these not only for study of the physics and chemistry of the Sun-Earth connection, but also for spacecraft orbit predictions, and communications through the ionosphere. The SDEA consists of a pair of parallel conducting plates separated by a small distance, with an entrance slit on one end, and an exit slit on the other. A voltage applied to these plates develops an electric field between the plates, and this field deflects ions passing through it. If an ion has too little energy, it will strike one of the plates. If it has too much, it will strike the back wall. An ion with the amount of energy being searched for will have its trajectory bent just enough to exit the back slit. The SDEA units are compact, rectangular, and operate with low voltages. The units can be built up into small arrays. These arrays could be used either to widen the field of view or to sharpen an existing one. This approach can also be used to obtain angular distributions in two planes simultaneously, thus cutting down the ion source power requirements in half. This geometry has enabled a new mass-spectrometer concept that can provide miniaturized mass spectrometers for use in industrial plants, air-pollution monitoring, and noxious-gas detection.

  4. Adsorption Refrigeration System

    SciTech Connect

    Wang, Kai; Vineyard, Edward Allan

    2011-01-01

    Adsorption refrigeration is an environmentally friendly cooling technology which could be driven by recovered waste heat or low-grade heat such as solar energy. In comparison with absorption system, an adsorption system has no problems such as corrosion at high temperature and salt crystallization. In comparison with vapor compression refrigeration system, it has the advantages of simple control, no moving parts and less noise. This paper introduces the basic theory of adsorption cycle as well as the advanced adsorption cycles such as heat and mass recovery cycle, thermal wave cycle and convection thermal wave cycle. The types, characteristics, advantages and drawbacks of different adsorbents used in adsorption refrigeration systems are also summarized. This article will increase the awareness of this emerging cooling technology among the HVAC engineers and help them select appropriate adsorption systems in energy-efficient building design.

  5. Controlling protein adsorption on graphene for cryo-EM using low-energy hydrogen plasmas.

    PubMed

    Russo, Christopher J; Passmore, Lori A

    2014-06-01

    Despite its many favorable properties as a sample support for biological electron microscopy, graphene is not widely used because its hydrophobicity precludes reliable protein deposition. We describe a method to modify graphene with a low-energy hydrogen plasma, which reduces hydrophobicity without degrading the graphene lattice. Use of plasma-treated graphene enables better control of protein distribution in ice for electron cryo-microscopy and improves image quality by reducing radiation-induced sample motion.

  6. Controlling protein adsorption on graphene for cryo-EM using low-energy hydrogen plasmas.

    PubMed

    Russo, Christopher J; Passmore, Lori A

    2014-06-01

    Despite its many favorable properties as a sample support for biological electron microscopy, graphene is not widely used because its hydrophobicity precludes reliable protein deposition. We describe a method to modify graphene with a low-energy hydrogen plasma, which reduces hydrophobicity without degrading the graphene lattice. Use of plasma-treated graphene enables better control of protein distribution in ice for electron cryo-microscopy and improves image quality by reducing radiation-induced sample motion. PMID:24747813

  7. Sub-ambient carbon dioxide adsorption properties of nitrogen doped graphene

    SciTech Connect

    Tamilarasan, P.; Ramaprabhu, Sundara

    2015-04-14

    Carbon dioxide adsorption on carbon surface can be enhanced by doping the surface with heterogeneous atoms, which can increase local surface affinity. This study presents the carbon dioxide adsorption properties of nitrogen doped graphene at low pressures (<100 kPa). Graphene was exposed to nitrogen plasma, which dopes nitrogen atoms into carbon hexagonal lattice, mainly in pyridinic and pyrrolic forms. It is found that nitrogen doping significantly improves the CO{sub 2} adsorption capacity at all temperatures, due to the enrichment of local Lewis basic sites. In general, isotherm and thermodynamic parameters suggest that doped nitrogen sites have nearly same adsorption energy of surface defects and residual functional groups. The isosteric heat of adsorption remains in physisorption range, which falls with surface coverage, suggesting the distribution of magnitude of adsorption energy. The absolute values of isosteric heat and entropy of adsorption are slightly increased upon nitrogen doping.

  8. Determination analysis of energy conservation standards for distribution transformers

    SciTech Connect

    Barnes, P.R.; Van Dyke, J.W.; McConnell, B.W.; Das, S.

    1996-07-01

    This report contains information for US DOE to use in making a determination on proposing energy conservation standards for distribution transformers as required by the Energy Policy Act of 1992. Potential for saving energy with more efficient liquid-immersed and dry-type distribution transformers could be significant because these transformers account for an estimated 140 billion kWh of the annual energy lost in the delivery of electricity. Objective was to determine whether energy conservation standards for distribution transformers would have the potential for significant energy savings, be technically feasible, and be economically justified from a national perspective. It was found that energy conservation for distribution transformers would be technically and economically feasible. Based on the energy conservation options analyzed, 3.6-13.7 quads of energy could be saved from 2000 to 2030.

  9. Gas-Fired Distributed Energy Resource Technology Characterizations

    SciTech Connect

    Goldstein, L.; Hedman, B.; Knowles, D.; Freedman, S. I.; Woods, R.; Schweizer, T.

    2003-11-01

    The U. S. Department of Energy (DOE) Office of Energy Efficiency and Renewable Energy (EERE) is directing substantial programs in the development and encouragement of new energy technologies. Among them are renewable energy and distributed energy resource technologies. As part of its ongoing effort to document the status and potential of these technologies, DOE EERE directed the National Renewable Energy Laboratory to lead an effort to develop and publish Distributed Energy Technology Characterizations (TCs) that would provide both the department and energy community with a consistent and objective set of cost and performance data in prospective electric-power generation applications in the United States. Toward that goal, DOE/EERE - joined by the Electric Power Research Institute (EPRI) - published the Renewable Energy Technology Characterizations in December 1997.As a follow-up, DOE EERE - joined by the Gas Research Institute - is now publishing this document, Gas-Fired Distributed Energy Resource Technology Characterizations.

  10. Parameterization of an interfacial force field for accurate representation of peptide adsorption free energy on high-density polyethylene.

    PubMed

    Abramyan, Tigran M; Snyder, James A; Yancey, Jeremy A; Thyparambil, Aby A; Wei, Yang; Stuart, Steven J; Latour, Robert A

    2015-01-01

    Interfacial force field (IFF) parameters for use with the CHARMM force field have been developed for interactions between peptides and high-density polyethylene (HDPE). Parameterization of the IFF was performed to achieve agreement between experimental and calculated adsorption free energies of small TGTG-X-GTGT host-guest peptides (T = threonine, G = glycine, and X = variable amino-acid residue) on HDPE, with ±0.5 kcal/mol agreement. This IFF parameter set consists of tuned nonbonded parameters (i.e., partial charges and Lennard-Jones parameters) for use with an in-house-modified CHARMM molecular dynamic program that enables the use of an independent set of force field parameters to control molecular behavior at a solid-liquid interface. The R correlation coefficient between the simulated and experimental peptide adsorption free energies increased from 0.00 for the standard CHARMM force field parameters to 0.88 for the tuned IFF parameters. Subsequent studies are planned to apply the tuned IFF parameter set for the simulation of protein adsorption behavior on an HDPE surface for comparison with experimental values of adsorbed protein orientation and conformation. PMID:25818122

  11. Parameterization of an interfacial force field for accurate representation of peptide adsorption free energy on high-density polyethylene

    PubMed Central

    Abramyan, Tigran M.; Snyder, James A.; Yancey, Jeremy A.; Thyparambil, Aby A.; Wei, Yang; Stuart, Steven J.; Latour, Robert A.

    2015-01-01

    Interfacial force field (IFF) parameters for use with the CHARMM force field have been developed for interactions between peptides and high-density polyethylene (HDPE). Parameterization of the IFF was performed to achieve agreement between experimental and calculated adsorption free energies of small TGTG–X–GTGT host–guest peptides (T = threonine, G = glycine, and X = variable amino-acid residue) on HDPE, with ±0.5 kcal/mol agreement. This IFF parameter set consists of tuned nonbonded parameters (i.e., partial charges and Lennard–Jones parameters) for use with an in-house-modified CHARMM molecular dynamic program that enables the use of an independent set of force field parameters to control molecular behavior at a solid–liquid interface. The R correlation coefficient between the simulated and experimental peptide adsorption free energies increased from 0.00 for the standard CHARMM force field parameters to 0.88 for the tuned IFF parameters. Subsequent studies are planned to apply the tuned IFF parameter set for the simulation of protein adsorption behavior on an HDPE surface for comparison with experimental values of adsorbed protein orientation and conformation. PMID:25818122

  12. The Spectral Energy Distributions of Fermi Blazars

    NASA Astrophysics Data System (ADS)

    Fan, J. H.; Yang, J. H.; Liu, Y.; Luo, G. Y.; Lin, C.; Yuan, Y. H.; Xiao, H. B.; Zhou, A. Y.; Hua, T. X.; Pei, Z. Y.

    2016-10-01

    In this paper, multiwavelength data are compiled for a sample of 1425 Fermi blazars to calculate their spectral energy distributions (SEDs). A parabolic function, {{log}}{(ν {F}ν )={P}1({{log}}ν -{P}2)}2+{P}3, is used for SED fitting. Synchrotron peak frequency ({log}{ν }{{p}}), spectral curvature (P1), peak flux ({ν }{{p}}{F}{ν {{p}}}), and integrated flux (ν {F}ν ) are successfully obtained for 1392 blazars (461 flat-spectrum radio quasars [FSRQs], 620 BL Lacs [BLs], and 311 blazars of uncertain type [BCUs]; 999 sources have known redshifts). Monochromatic luminosity at radio 1.4 GHz, optical R band, X-ray at 1 keV and γ-ray at 1 GeV, peak luminosity, integrated luminosity, and effective spectral indices of radio to optical ({α }{{RO}}) and optical to X-ray ({α }{{OX}}) are calculated. The “Bayesian classification” is employed to log {ν }{{p}} in the rest frame for 999 blazars with available redshift, and the results show that three components are enough to fit the log {ν }{{p}} distribution; there is no ultra-high peaked subclass. Based on the three components, the subclasses of blazars using the acronyms of Abdo et al. are classified, and some mutual correlations are also studied. Conclusions are finally drawn as follows: (1) SEDs are successfully obtained for 1392 blazars. The fitted peak frequencies are compared with common sources from available samples. (2) Blazars are classified as low synchrotron peak sources if log {ν }{{p}}({Hz})≤slant 14.0, intermediate synchrotron peak sources if 14.0\\lt {log} {ν }{{p}}({Hz})≤slant 15.3, and high synchrotron peak sources if {log} {ν }{{p}}({Hz})\\gt 15.3. (3) Gamma-ray emissions are strongly correlated with radio emissions. Gamma-ray luminosity is also correlated with synchrotron peak luminosity and integrated luminosity. (4) There is an anticorrelation between peak frequency and peak luminosity within the whole blazar sample. However, there is a marginally positive correlation for high

  13. Adsorption of nitrogen-heterocyclic compounds on bamboo charcoal: kinetics, thermodynamics, and microwave regeneration.

    PubMed

    Liao, Peng; Yuan, Songhu; Xie, Wenjing; Zhang, Wenbiao; Tong, Man; Wang, Kun

    2013-01-15

    The adsorption kinetics and thermodynamics of nitrogen-heterocyclic compounds (NHCs), pyridine, indole and quinoline, in aqueous solutions on bamboo charcoal (BC), as well as the regeneration of spent BC by microwave radiation, are investigated. BC is produced by incomplete combustion of moso bamboo at high temperature and nitrogen atmosphere. Adsorption kinetics is analyzed using pseudo-first-order and pseudo-second-order as well as Weber-Morris model. The results show that NHC adsorption on BC is predominantly regulated by surface diffusion in initial 1h followed by intraparticle diffusion in later stage. BC exhibits a strong adsorption affinity to NHCs, and the adsorption isotherms are well described by Freundlich model. Thermodynamic analysis indicates that the adsorption is spontaneous and endothermic. Adsorption site energy analysis illustrates a distribution of adsorption energy, which indicates the heterogeneous sites on BC for NHC adsorption. Furthermore, spent BC with NHC adsorption can be effectively regenerated by MW radiation. The adsorption capacity becomes even higher than that of virgin BC after five times of adsorption-regeneration cycles. This study proves BC is a promising adsorbent for NHC removal in wastewater.

  14. The effect of ligand substitution and water co-adsorption on the adsorption dynamics and energy level matching of amino-phenyl acid dyes on TiO2.

    PubMed

    Manzhos, Sergei; Segawa, Hiroshi; Yamashita, Koichi

    2012-02-01

    We perform a comparative theoretical analysis of adsorption of dyes NK1 (2E,4E-2-cyano-5-(4-dimethylaminophenyl)penta-2,4-dienoic acid) and NK7 (2E,4E-2-cyano-5-(4-diphenylaminophenyl)penta-2,4-dienoic acid) on clean and water-covered anatase (101) surfaces of TiO(2). Ligand substitution away from the anchoring group changes the energy level matching between the dye's LUMO and the oxide's conduction band. Monodentate binding and bidentate binding configurations of the dyes to TiO(2) are found to have similar adsorption energies even though the injection from the bidentate mode is found to dominate. Water has a strong effect on adsorption, inducing deprotonation and affecting strongly and differently between the dyes the energy level matching, leading to a shut-off of the injection from NK7 of bidentate adsorption configuration. Ab initio molecular dynamics simulations show a strong effect of nuclear motion on energy levels, specifically, increasing the driving force for injection in the monodentate regime.

  15. Energy Inputs Uncertainty: Total Amount, Distribution and Correlation Between Different Forms of Energy

    NASA Technical Reports Server (NTRS)

    Deng, Yue

    2014-01-01

    Describes solar energy inputs contributing to ionospheric and thermospheric weather processes, including total energy amounts, distributions and the correlation between particle precipitation and Poynting flux.

  16. From single molecules to water networks: Dynamics of water adsorption on Pt(111)

    NASA Astrophysics Data System (ADS)

    Naderian, Maryam; Groß, Axel

    2016-09-01

    The adsorption dynamics of water on Pt(111) was studied using ab initio molecular dynamics simulations based on density functional theory calculations including dispersion corrections. Sticking probabilities were derived as a function of initial kinetic energy and water coverage. In addition, the energy distribution upon adsorption was monitored in order to analyze the energy dissipation process. We find that on the water pre-covered surface the sticking probability is enhanced because of the attractive water-water interaction and the additional effective energy dissipation channels to the adsorbed water molecules. The water structures forming directly after the adsorption on the pre-covered surfaces do not necessarily correspond to energy minimum structures.

  17. Adsorption energy of small molecules on core-shell Fe@Au nanoparticles: tuning by shell thickness.

    PubMed

    Benoit, Magali; Tarrat, Nathalie; Morillo, Joseph

    2016-04-01

    The adsorption of several small molecules on different gold surfaces, Au(001), strained Au(001) and Au(001) epitaxied on Fe(001), has been characterized using density functional theory. The surface strain leads to a less energetically favourable adsorption for all studied molecules. Moreover, the presence of the iron substrate induces an additional decrease of the binding energy, for 1 and 2 Au monolayers. For carbon monoxide (CO), the structural and energetic variations with the number of Au monolayers deposited on Fe have been analyzed and correlated with the distance between the carbon atom and the gold surface. The effect of the subsurface layer has been evidenced for 1 and 2 monolayers. The other molecules show different quantitative behavior depending on the type of their interaction with the gold surface. However, the iron substrate weakens the interaction, either for the chemisorbed species or for the physisorbed species. 2 Au monolayers seem to be the best compromise to decrease the reactivity of the gold surface towards adsorption while preventing the Fe oxidation. PMID:26971708

  18. Linear solvation energy relationship for the adsorption of synthetic organic compounds on single-walled carbon nanotubes in water.

    PubMed

    Ding, H; Chen, C; Zhang, X

    2016-01-01

    The linear solvation energy relationship (LSER) was applied to predict the adsorption coefficient (K) of synthetic organic compounds (SOCs) on single-walled carbon nanotubes (SWCNTs). A total of 40 log K values were used to develop and validate the LSER model. The adsorption data for 34 SOCs were collected from 13 published articles and the other six were obtained in our experiment. The optimal model composed of four descriptors was developed by a stepwise multiple linear regression (MLR) method. The adjusted r(2) (r(2)adj) and root mean square error (RMSE) were 0.84 and 0.49, respectively, indicating good fitness. The leave-one-out cross-validation Q(2) ([Formula: see text]) was 0.79, suggesting the robustness of the model was satisfactory. The external Q(2) ([Formula: see text]) and RMSE (RMSEext) were 0.72 and 0.50, respectively, showing the model's strong predictive ability. Hydrogen bond donating interaction (bB) and cavity formation and dispersion interactions (vV) stood out as the two most influential factors controlling the adsorption of SOCs onto SWCNTs. The equilibrium concentration would affect the fitness and predictive ability of the model, while the coefficients varied slightly. PMID:26854726

  19. Two jet energy and rapidity distributions

    SciTech Connect

    Blazey, G.C.; For the D {O} Collaboration

    1992-11-01

    The D0 detector has been recording data at the Tevatron {bar p}p Collider since May 1992. Because the D0 calorimeter is hermetic and has large acceptance it is well suited for semi-exclusive final state jet studies. We present a primary measurement of the distribution d{sup 3}N/dE{sub t1}/d{eta}{sub 1}/d{eta}{sub 2} at {radical}s TeV over a large range of {eta}. The sensitivity of this cross-section to parton momentum distributions and the ability of D0 to discriminate between possible parton distributions is discussed.

  20. Two jet energy and rapidity distributions

    SciTech Connect

    Blazey, G.C.

    1992-11-01

    The D0 detector has been recording data at the Tevatron [bar p]p Collider since May 1992. Because the D0 calorimeter is hermetic and has large acceptance it is well suited for semi-exclusive final state jet studies. We present a primary measurement of the distribution d[sup 3]N/dE[sub t1]/d[eta][sub 1]/d[eta][sub 2] at [radical]s TeV over a large range of [eta]. The sensitivity of this cross-section to parton momentum distributions and the ability of D0 to discriminate between possible parton distributions is discussed.

  1. Plasma expansion into vacuum assuming a steplike electron energy distribution.

    PubMed

    Kiefer, Thomas; Schlegel, Theodor; Kaluza, Malte C

    2013-04-01

    The expansion of a semi-infinite plasma slab into vacuum is analyzed with a hydrodynamic model implying a steplike electron energy distribution function. Analytic expressions for the maximum ion energy and the related ion distribution function are derived and compared with one-dimensional numerical simulations. The choice of the specific non-Maxwellian initial electron energy distribution automatically ensures the conservation of the total energy of the system. The estimated ion energies may differ by an order of magnitude from the values obtained with an adiabatic expansion model supposing a Maxwellian electron distribution. Furthermore, good agreement with data from experiments using laser pulses of ultrashort durations τ(L)distribution is assumed.

  2. Energy distributions in rods and beams

    NASA Technical Reports Server (NTRS)

    Wohlever, J. C.; Bernhard, R. J.

    1989-01-01

    A hypothesis proposed by Nefske and Sung (1987) that the mechanical energy flow in acoustic/structural systems can be modeled using a thermal energy flow analogy was tested for both longitudinal vibration in rods and transverse flexural vibrations in beams. It was found that the rod behaves according to the energy flow analogy. However, the beam solutions behaved significantly differently than predicted by the thermal analogy, unless spatially averaged energy and power flow were considered. Otherwise, the beam analysis is restricted to frequencies where the near-field terms in the displacement solution are negligible over most of the beam.

  3. Vibrational energy transfer near a dissociative adsorption transition state: State-to-state study of HCl collisions at Au(111).

    PubMed

    Geweke, Jan; Shirhatti, Pranav R; Rahinov, Igor; Bartels, Christof; Wodtke, Alec M

    2016-08-01

    In this work we seek to examine the nature of collisional energy transfer between HCl and Au(111) for nonreactive scattering events that sample geometries near the transition state for dissociative adsorption by varying both the vibrational and translational energy of the incident HCl molecules in the range near the dissociation barrier. Specifically, we report absolute vibrational excitation probabilities for HCl(v = 0 → 1) and HCl(v = 1 → 2) scattering from clean Au(111) as a function of surface temperature and incidence translational energy. The HCl(v = 2 → 3) channel could not be observed-presumably due to the onset of dissociation. The excitation probabilities can be decomposed into adiabatic and nonadiabatic contributions. We find that both contributions strongly increase with incidence vibrational state by a factor of 24 and 9, respectively. This suggests that V-T as well as V-EHP coupling can be enhanced near the transition state for dissociative adsorption at a metal surface. We also show that previously reported HCl(v = 0 → 1) excitation probabilities [Q. Ran et al., Phys. Rev. Lett. 98, 237601 (2007)]-50 times smaller than those reported here-were influenced by erroneous assignment of spectroscopic lines used in the data analysis. PMID:27497574

  4. Vibrational energy transfer near a dissociative adsorption transition state: State-to-state study of HCl collisions at Au(111)

    NASA Astrophysics Data System (ADS)

    Geweke, Jan; Shirhatti, Pranav R.; Rahinov, Igor; Bartels, Christof; Wodtke, Alec M.

    2016-08-01

    In this work we seek to examine the nature of collisional energy transfer between HCl and Au(111) for nonreactive scattering events that sample geometries near the transition state for dissociative adsorption by varying both the vibrational and translational energy of the incident HCl molecules in the range near the dissociation barrier. Specifically, we report absolute vibrational excitation probabilities for HCl(v = 0 → 1) and HCl(v = 1 → 2) scattering from clean Au(111) as a function of surface temperature and incidence translational energy. The HCl(v = 2 → 3) channel could not be observed—presumably due to the onset of dissociation. The excitation probabilities can be decomposed into adiabatic and nonadiabatic contributions. We find that both contributions strongly increase with incidence vibrational state by a factor of 24 and 9, respectively. This suggests that V-T as well as V-EHP coupling can be enhanced near the transition state for dissociative adsorption at a metal surface. We also show that previously reported HCl(v = 0 → 1) excitation probabilities [Q. Ran et al., Phys. Rev. Lett. 98, 237601 (2007)]—50 times smaller than those reported here—were influenced by erroneous assignment of spectroscopic lines used in the data analysis.

  5. Observational Evidence for Small Scale Distributed Energy Release and Acceleration

    NASA Astrophysics Data System (ADS)

    Vilmer, Nicole

    Particle acceleration in solar flares is a challenging issue. Not only, is it necessary to convert a large fraction of the free magnetic energy to supra-thermal particles on relatively short time scales, but it is also required to produce in some flares ultra-relativistic particles on timescales of a few tens of seconds. Several approaches have been considered in the solar physics literature for acceleration models: either the acceleration takes place in large scale features (shocks or current sheets) or it occurs in small scale distributed energy release sites. I shall review here some of the observations which support the scenario of spatially distributed energy release and acceleration sites: existence of narrow-band millisecond bursts in the radio range and spatial distributions of these emissions, distribution of time scales of energy release, statistical properties of flares and HXR pulses, waiting time distributions in flares,. . .

  6. Energy Distributions in Small Populations: Pascal versus Boltzmann

    ERIC Educational Resources Information Center

    Kugel, Roger W.; Weiner, Paul A.

    2010-01-01

    The theoretical distributions of a limited amount of energy among small numbers of particles with discrete, evenly-spaced quantum levels are examined systematically. The average populations of energy states reveal the pattern of Pascal's triangle. An exact formula for the probability that a particle will be in any given energy state is derived.…

  7. Distributed energy storage: Time-dependent tree flow design

    NASA Astrophysics Data System (ADS)

    Bejan, A.; Ziaei, S.; Lorente, S.

    2016-05-01

    This article proposes "distributed energy storage" as a basic design problem of distributing energy storage material on an area. The energy flows by fluid flow from a concentrated source to points (users) distributed equidistantly on the area. The flow is time-dependent. Several scenarios are analyzed: sensible-heat storage, latent-heat storage, exergy storage vs energy storage, and the distribution of a finite supply of heat transfer surface between the source fluid and the distributed storage material. The chief conclusion is that the finite amount of storage material should be distributed proportionally with the distribution of the flow rate of heating agent arriving on the area. The total time needed by the source stream to "invade" the area is cumulative (the sum of the storage times required at each storage site) and depends on the energy distribution paths and the sequence in which the users are served by the source stream. Directions for future designs of distributed storage and retrieval are outlined in the concluding section.

  8. Distributed Energy Resources for Carbon Emissions Mitigation

    SciTech Connect

    Firestone, Ryan; Marnay, Chris

    2007-05-01

    The era of publicly mandated GHG emissions restrictions inthe United States has begun with recent legislation in California andseven northeastern states. Commercial and industrial buildings canimprove the carbon-efficiency of end-use energy consumption by installingtechnologies such as on-site cogeneration of electricity and useful heatin combined heat and power systems, thermally-activated cooling, solarelectric and thermal equipment, and energy storage -- collectively termeddistributed energy resources (DER). This research examines a collectionof buildings in California, the Northeast, and the southern United Statesto demonstrate the effects of regional characteristics such as the carbonintensity of central electricity grid, the climate-driven demand forspace heating and cooling, and the availability of solar insolation. Theresults illustrate that the magnitude of a realistic carbon tax ($100/tC)is too small to incent significant carbon-reducing effects oneconomically optimal DER adoption. In large part, this is because costreduction and carbon reduction objectives are roughly aligned, even inthe absence of a carbon tax.

  9. Energy optimization of water distribution system

    SciTech Connect

    Not Available

    1993-02-01

    In order to analyze pump operating scenarios for the system with the computer model, information on existing pumping equipment and the distribution system was collected. The information includes the following: component description and design criteria for line booster stations, booster stations with reservoirs, and high lift pumps at the water treatment plants; daily operations data for 1988; annual reports from fiscal year 1987/1988 to fiscal year 1991/1992; and a 1985 calibrated KYPIPE computer model of DWSD`s water distribution system which included input data for the maximum hour and average day demands on the system for that year. This information has been used to produce the inventory database of the system and will be used to develop the computer program to analyze the system.

  10. Contact angle and adsorption energies of nanoparticles at the air-liquid interface determined by neutron reflectivity and molecular dynamics

    NASA Astrophysics Data System (ADS)

    Reguera, Javier; Ponomarev, Evgeniy; Geue, Thomas; Stellacci, Francesco; Bresme, Fernando; Moglianetti, Mauro

    2015-03-01

    Understanding how nanomaterials interact with interfaces is essential to control their self-assembly as well as their optical, electronic, and catalytic properties. We present here an experimental approach based on neutron reflectivity (NR) that allows the in situ measurement of the contact angles of nanoparticles adsorbed at fluid interfaces. Because our method provides a route to quantify the adsorption and interfacial energies of the nanoparticles in situ, it circumvents problems associated with existing indirect methods, which rely on the transport of the monolayers to substrates for further analysis. We illustrate the method by measuring the contact angle of hydrophilic and hydrophobic gold nanoparticles, coated with perdeuterated octanethiol (d-OT) and with a mixture of d-OT and mercaptohexanol (MHol), respectively. The contact angles were also calculated via atomistic molecular dynamics (MD) computations, showing excellent agreement with the experimental data. Our method opens the route to quantify the adsorption of complex nanoparticle structures adsorbed at fluid interfaces featuring different chemical compositions.Understanding how nanomaterials interact with interfaces is essential to control their self-assembly as well as their optical, electronic, and catalytic properties. We present here an experimental approach based on neutron reflectivity (NR) that allows the in situ measurement of the contact angles of nanoparticles adsorbed at fluid interfaces. Because our method provides a route to quantify the adsorption and interfacial energies of the nanoparticles in situ, it circumvents problems associated with existing indirect methods, which rely on the transport of the monolayers to substrates for further analysis. We illustrate the method by measuring the contact angle of hydrophilic and hydrophobic gold nanoparticles, coated with perdeuterated octanethiol (d-OT) and with a mixture of d-OT and mercaptohexanol (MHol), respectively. The contact angles were

  11. Field emission energy distributions from individual multiwalled carbon nanotubes

    NASA Astrophysics Data System (ADS)

    Fransen, M. J.; van Rooy, Th. L.; Kruit, P.

    1999-05-01

    We measured field emission energy distributions of electrons emitted from individual multiwalled carbon nanotubes mounted on tungsten tips. The shape of the energy distribution is strongly sample dependent. Some nanotube emitters exhibit an almost metallic behaviour, while others show sharply peaked energy distributions. The smallest half-width we measured was only 0.11 eV, without correction for the broadening of the energy analyzer. A common feature of both types of carbon nanotube energy spectra is that the position of the peaks in the spectrum depends linearly on the extraction voltage, unlike metallic emitters, where the position stays in the vicinity of the Fermi level. With a small modification to the field emission theory for metals we extract the distance between the highest filled energy level of the nanotube and the vacuum potential, the field on the emitter surface, the emitter radius and the emitting area, from the energy distribution and the Fowler-Nordheim plot. The last two parameters are in good agreement with transmission electron micrographs of such samples. The sharply-peaked energy distributions from other samples indicate that resonant states can exist at the top of the nanotube.

  12. Distributed Energy Communications & Controls, Lab Activities - Synopsis

    SciTech Connect

    Rizy, D Tom

    2010-01-01

    Electric power distribution systems are experiencing outages due to a phenomenon known as fault induced delayed voltage recovery (FIDVR) due to air conditioning (A/C) compressor motor stall. Local voltage collapse from FIDVR is occurring in part because modern air-conditioner and heat pump compressor motors are much more susceptible to stalling during a voltage sag or dip than older motors. These motors can stall in less than three cycles (0.05 s) when a fault, for example, on the sub-transmission system, causes voltage on the distribution system to sag to 70% or less of nominal. We completed a new test system for A/C compressor motor stall testing at the DECC Lab. The A/C Stall test system is being used to characterize when and how compressor motors stall under low voltage and high compressor pressure conditions. However, instead of using air conditioners, we are using high efficiency heat pumps. We have gathered A/C stall characterization data for both sustained and momentary voltage sags of the test heat pump. At low enough voltage, the heat pump stalls (compressor motor stops and draws 5-6 times normal current in trying to restart) due to low inertia and low torque of the motor. For the momentary sag, we are using a fast acting contactor/switch to quickly switch from nominal to the sagged voltage in cycles.

  13. Electric Transport Traction Power Supply System With Distributed Energy Sources

    NASA Astrophysics Data System (ADS)

    Abramov, E. Y.; Schurov, N. I.; Rozhkova, M. V.

    2016-04-01

    The paper states the problem of traction substation (TSS) leveling of daily-load curve for urban electric transport. The circuit of traction power supply system (TPSS) with distributed autonomous energy source (AES) based on photovoltaic (PV) and energy storage (ES) units is submitted here. The distribution algorithm of power flow for the daily traction load curve leveling is also introduced in this paper. In addition, it illustrates the implemented experiment model of power supply system.

  14. Distributed energy store powered railguns for hypervelocity launch

    NASA Astrophysics Data System (ADS)

    Maas, Brian L.; Bauer, David P.; Marshall, Richard A.

    1993-01-01

    Highly distributed power supplies are proposed as a basis for current difficulties with hypervelocity railgun power-supply compactness. This distributed power supply configuration reduces rail-to-rail voltage behind the main armature, thereby reducing the tendency for secondary armature current formation; secondary current elimination is essential for achieving the efficiencies associated with muzzle velocity above 6 km/sec. Attention is given to analytical and experimental results for two distributed energy storage schemes.

  15. Energy distribution among reaction products. V.

    NASA Technical Reports Server (NTRS)

    Anlauf, K. G.; Horne, D. S.; Macdonald, R. G.; Polanyi, J. C.; Woodall, K. B.

    1972-01-01

    Discussion of three reactions, one point of theoretical interest being the predicted correlation between barrier height and barrier location. The H + Br 2 reaction having a lower activation barrier than H + Cl 2, should have an earlier barrier, and hence a greater percentage attractive energy release and higher efficiency of vibrational excitation. Information is developed concerning the effect of isotopic substitution in the pair of reactions H + Cl 2 and D + Cl 2. The 'arrested relaxation' method was used. Essentially, the method involves reacting two diffuse reagent beams in a reaction vessel with background pressure less than 0.001 torr, and with walls cooled by liquid nitrogen or liquid helium.

  16. Ion adsorption and its influence on direct current electric field induced deformations of flexoelectric nematic layers

    NASA Astrophysics Data System (ADS)

    Derfel, Grzegorz; Buczkowska, Mariola

    2011-07-01

    The influence of ion adsorption on the behavior of the nematic liquid crystal layers is studied numerically. The homeotropic flexoelectric layer subjected to the dc electric field is considered. Selective adsorption of positive ions is assumed. The analysis is based on the free energy formalism for ion adsorption. The distributions of director orientation angle, electric potential, and ion concentrations are calculated by numerical resolving of suitable torques equations and Poisson equation. The threshold voltages for the deformations are also determined. It was shown that adsorption affects the distributions of both cations and anions. Sufficiently large number of adsorbed ions leads to spontaneous deformation arising without any threshold if the total number of ions creates sufficiently strong electric field with significant field gradients in the neighborhood of electrodes. The spontaneous deformations are favored by strong flexoelectricity, large thickness, large ion concentrations, weak anchoring, and large adsorption energy.

  17. Optimal Operation of Energy Storage in Power Transmission and Distribution

    NASA Astrophysics Data System (ADS)

    Akhavan Hejazi, Seyed Hossein

    In this thesis, we investigate optimal operation of energy storage units in power transmission and distribution grids. At transmission level, we investigate the problem where an investor-owned independently-operated energy storage system seeks to offer energy and ancillary services in the day-ahead and real-time markets. We specifically consider the case where a significant portion of the power generated in the grid is from renewable energy resources and there exists significant uncertainty in system operation. In this regard, we formulate a stochastic programming framework to choose optimal energy and reserve bids for the storage units that takes into account the fluctuating nature of the market prices due to the randomness in the renewable power generation availability. At distribution level, we develop a comprehensive data set to model various stochastic factors on power distribution networks, with focus on networks that have high penetration of electric vehicle charging load and distributed renewable generation. Furthermore, we develop a data-driven stochastic model for energy storage operation at distribution level, where the distribution of nodal voltage and line power flow are modelled as stochastic functions of the energy storage unit's charge and discharge schedules. In particular, we develop new closed-form stochastic models for such key operational parameters in the system. Our approach is analytical and allows formulating tractable optimization problems. Yet, it does not involve any restricting assumption on the distribution of random parameters, hence, it results in accurate modeling of uncertainties. By considering the specific characteristics of random variables, such as their statistical dependencies and often irregularly-shaped probability distributions, we propose a non-parametric chance-constrained optimization approach to operate and plan energy storage units in power distribution girds. In the proposed stochastic optimization, we consider

  18. Recent Ion Energy Distribution Observations on MST RFP Plasmas

    NASA Astrophysics Data System (ADS)

    Clark, Jerry; Titus, J. B.; Mezonlin, E. D.; Johnson, J. A., III; Almagri, A. F.; Andeson, J. A.

    2015-11-01

    Ion energy distribution and temperature measurements have been made on the Madison Symmetric Torus (MST) using the Florida A&M University compact neutral particle analyzer (CNPA). The CNPA is a low energy (0.34-5.2 keV), high energy resolution (25 channels) neutral particle analyzer, with a radial view on MST. Recently, a retarding potential system was built to allow CNPA measurements to ensemble a complete ion energy distribution with high-energy resolution, providing insight into the dynamics of the bulk and fast ion populations. Recent work has also been done to improve the analysis techniques used to infer the ion temperature measurements, allowing us to understand temperature dynamics better during global magnetic reconnection events. Work supported in part by grants to FAMU and to UW from NSF and from Fusion Energy Sciences at DOE.

  19. Distributed Sensor Coordination for Advanced Energy Systems

    SciTech Connect

    Tumer, Kagan

    2013-07-31

    The ability to collect key system level information is critical to the safe, efficient and reli- able operation of advanced energy systems. With recent advances in sensor development, it is now possible to push some level of decision making directly to computationally sophisticated sensors, rather than wait for data to arrive to a massive centralized location before a decision is made. This type of approach relies on networked sensors (called “agents” from here on) to actively collect and process data, and provide key control deci- sions to significantly improve both the quality/relevance of the collected data and the as- sociating decision making. The technological bottlenecks for such sensor networks stem from a lack of mathematics and algorithms to manage the systems, rather than difficulties associated with building and deploying them. Indeed, traditional sensor coordination strategies do not provide adequate solutions for this problem. Passive data collection methods (e.g., large sensor webs) can scale to large systems, but are generally not suited to highly dynamic environments, such as ad- vanced energy systems, where crucial decisions may need to be reached quickly and lo- cally. Approaches based on local decisions on the other hand cannot guarantee that each agent performing its task (maximize an agent objective) will lead to good network wide solution (maximize a network objective) without invoking cumbersome coordination rou- tines. There is currently a lack of algorithms that will enable self-organization and blend the efficiency of local decision making with the system level guarantees of global decision making, particularly when the systems operate in dynamic and stochastic environments. In this work we addressed this critical gap and provided a comprehensive solution to the problem of sensor coordination to ensure the safe, reliable, and robust operation of advanced energy systems. The differentiating aspect of the proposed work is in shift- ing

  20. Parallel Harmony Search Based Distributed Energy Resource Optimization

    SciTech Connect

    Ceylan, Oguzhan; Liu, Guodong; Tomsovic, Kevin

    2015-01-01

    This paper presents a harmony search based parallel optimization algorithm to minimize voltage deviations in three phase unbalanced electrical distribution systems and to maximize active power outputs of distributed energy resources (DR). The main contribution is to reduce the adverse impacts on voltage profile during a day as photovoltaics (PVs) output or electrical vehicles (EVs) charging changes throughout a day. The IEEE 123- bus distribution test system is modified by adding DRs and EVs under different load profiles. The simulation results show that by using parallel computing techniques, heuristic methods may be used as an alternative optimization tool in electrical power distribution systems operation.

  1. I. Gas adsorption properties and porosity of transition metal-based cyanogels. II. Novel energy transfer processes in organic light-emitting devices

    NASA Astrophysics Data System (ADS)

    Deshpande, Rahul Shrikant

    The gas adsorption properties and porosity of cyanide-bridged transition metal-based gels are investigated in the first part of this dissertation. The cyanide bridges, connecting two transition metal centers, are characteristic of these gels; hence, these gels are termed cyanogels. Aerogel versus xerogel structures have a profound effect, both, on the thermodynamics and kinetics of gas adsorption on these cyanogels. Carbon dioxide is selectively adsorbed on palladium-cobalt-based cyanogels; the adsorption is fully reversible on both types of gels discussed. The thermodynamics and kinetics of the gas adsorption processes on these gels are analyzed here. From the ease and reproducibility of the CO2 desorption and the associated enthalpy values, it is concluded that CO2 is physisorbed on these gels. Both the adsorption and desorption processes are first-order in the gels. Adsorption of carbon monoxide on the palladium-cobalt cyanogels is also investigated. Unlike CO 2 physisorption, carbon monoxide is chemisorbed on these gels. An uptake of CO brings about a profound change in the xerogel morphology. The palladium-cobalt-based aerogels possess both micro- and mesoporosity; the xerogels are predominantly microporous with a narrow microporosity. The aerogel surfaces are found to be fractal as analyzed by gas adsorption. Unlike the aerogels, the xerogels do not possess surface fractality. The mechanism of adsorption of different gases on these gels is analyzed based on the gel morphologies. These transition metal-based gels are promising for a variety of applications such as heterogeneous catalysts, gas filters and magnetic materials. The porosity of these gels can be exploited to make gel-embedded filters to separate mixtures of gases based on the their differential adsorption propensities. The reversible adsorption of CO2 can be harnessed practically by using these gels as CO2 storage reservoirs. In the second part of this dissertation, the first, balanced, white

  2. Calculation of energy deposition distributions for simple geometries

    NASA Technical Reports Server (NTRS)

    Watts, J. W., Jr.

    1973-01-01

    When high-energy charged particles pass through a thin detector, the ionization energy loss in that detector is subject to fluctuations or straggling which must be considered in interpreting the data. Under many conditions, which depend upon the charge and energy of the incident particle and the detector geometry, the ionization energy lost by the particle is significantly different from the energy deposited in the detector. This problem divides naturally into a calculation of the energy loss that results in excitation and low-energy secondary electrons which do not travel far from their production points, and a calculation of energy loss that results in high-energy secondary electrons which can escape from the detector. The first calculation is performed using a modification of the Vavilov energy loss distribution. A cutoff energy is introduced above which all electrons are ignored and energy transferred to low energy particles is assumed to be equivalent to the energy deposited by them. For the second calculation, the trajectory of the primary particle is considered as a source of secondary high-energy electrons. The electrons from this source are transported using Monte Carlo techniques and multiple scattering theory, and the energy deposited by them in the detector is calculated. The results of the two calculations are then combined to predict the energy deposition distribution. The results of these calculations are used to predict the charge resolution of parallel-plate pulse ionization chambers that are being designed to measure the charge spectrum of heavy nuclei in the galactic cosmic-ray flux.

  3. Distributed sensor coordination for advanced energy systems

    SciTech Connect

    Tumer, Kagan

    2015-03-12

    Motivation: The ability to collect key system level information is critical to the safe, efficient and reliable operation of advanced power systems. Recent advances in sensor technology have enabled some level of decision making directly at the sensor level. However, coordinating large numbers of sensors, particularly heterogeneous sensors, to achieve system level objectives such as predicting plant efficiency, reducing downtime or predicting outages requires sophisticated coordination algorithms. Indeed, a critical issue in such systems is how to ensure the interaction of a large number of heterogenous system components do not interfere with one another and lead to undesirable behavior. Objectives and Contributions: The long-term objective of this work is to provide sensor deployment, coordination and networking algorithms for large numbers of sensors to ensure the safe, reliable, and robust operation of advanced energy systems. Our two specific objectives are to: 1. Derive sensor performance metrics for heterogeneous sensor networks. 2. Demonstrate effectiveness, scalability and reconfigurability of heterogeneous sensor network in advanced power systems. The key technical contribution of this work is to push the coordination step to the design of the objective functions of the sensors, allowing networks of heterogeneous sensors to be controlled. By ensuring that the control and coordination is not specific to particular sensor hardware, this approach enables the design and operation of large heterogeneous sensor networks. In addition to the coordination coordination mechanism, this approach allows the system to be reconfigured in response to changing needs (e.g., sudden external events requiring new responses) or changing sensor network characteristics (e.g., sudden changes to plant condition). Impact: The impact of this work extends to a large class of problems relevant to the National Energy Technology Laboratory including sensor placement, heterogeneous sensor

  4. Triangular tessellation scheme for the adsorption free energy at the liquid-liquid interface: Towards nonconvex patterned colloids.

    PubMed

    de Graaf, Joost; Dijkstra, Marjolein; van Roij, René

    2009-11-01

    We present a numerical technique, namely, triangular tessellation, to calculate the free energy associated with the adsorption of a colloidal particle at a flat interface. The theory and numerical scheme presented here are sufficiently general to handle nonconvex patchy colloids with arbitrary surface patterns characterized by a wetting angle, e.g., amphiphilicity. We ignore interfacial deformation due to capillary, electrostatic, or gravitational forces, but the method can be extended to take such effects into account. It is verified that the numerical method presented is accurate and sufficiently stable to be applied to more general situations than presented in this paper. The merits of the tessellation method prove to outweigh those of traditionally used semianalytic approaches, especially when it comes to generality and applicability. PMID:20364983

  5. Can carbon surface oxidation shift the pore size distribution curve calculated from Ar, N2 and CO2 adsorption isotherms? Simulation results for a realistic carbon model

    NASA Astrophysics Data System (ADS)

    Furmaniak, Sylwester; Terzyk, Artur P.; Gauden, Piotr A.; Harris, Peter J. F.; Kowalczyk, Piotr

    2009-08-01

    Using the virtual porous carbon model proposed by Harris et al, we study the effect of carbon surface oxidation on the pore size distribution (PSD) curve determined from simulated Ar, N2 and CO2 isotherms. It is assumed that surface oxidation is not destructive for the carbon skeleton, and that all pores are accessible for studied molecules (i.e., only the effect of the change of surface chemical composition is studied). The results obtained show two important things, i.e., oxidation of the carbon surface very slightly changes the absolute porosity (calculated from the geometric method of Bhattacharya and Gubbins (BG)); however, PSD curves calculated from simulated isotherms are to a greater or lesser extent affected by the presence of surface oxides. The most reliable results are obtained from Ar adsorption data. Not only is adsorption of this adsorbate practically independent from the presence of surface oxides, but, more importantly, for this molecule one can apply the slit-like model of pores as the first approach to recover the average pore diameter of a real carbon structure. For nitrogen, the effect of carbon surface chemical composition is observed due to the quadrupole moment of this molecule, and this effect shifts the PSD curves compared to Ar. The largest differences are seen for CO2, and it is clearly demonstrated that the PSD curves obtained from adsorption isotherms of this molecule contain artificial peaks and the average pore diameter is strongly influenced by the presence of electrostatic adsorbate-adsorbate as well as adsorbate-adsorbent interactions.

  6. Can carbon surface oxidation shift the pore size distribution curve calculated from Ar, N(2) and CO(2) adsorption isotherms? Simulation results for a realistic carbon model.

    PubMed

    Furmaniak, Sylwester; Terzyk, Artur P; Gauden, Piotr A; Harris, Peter J F; Kowalczyk, Piotr

    2009-08-01

    Using the virtual porous carbon model proposed by Harris et al, we study the effect of carbon surface oxidation on the pore size distribution (PSD) curve determined from simulated Ar, N(2) and CO(2) isotherms. It is assumed that surface oxidation is not destructive for the carbon skeleton, and that all pores are accessible for studied molecules (i.e., only the effect of the change of surface chemical composition is studied). The results obtained show two important things, i.e., oxidation of the carbon surface very slightly changes the absolute porosity (calculated from the geometric method of Bhattacharya and Gubbins (BG)); however, PSD curves calculated from simulated isotherms are to a greater or lesser extent affected by the presence of surface oxides. The most reliable results are obtained from Ar adsorption data. Not only is adsorption of this adsorbate practically independent from the presence of surface oxides, but, more importantly, for this molecule one can apply the slit-like model of pores as the first approach to recover the average pore diameter of a real carbon structure. For nitrogen, the effect of carbon surface chemical composition is observed due to the quadrupole moment of this molecule, and this effect shifts the PSD curves compared to Ar. The largest differences are seen for CO(2), and it is clearly demonstrated that the PSD curves obtained from adsorption isotherms of this molecule contain artificial peaks and the average pore diameter is strongly influenced by the presence of electrostatic adsorbate-adsorbate as well as adsorbate-adsorbent interactions. PMID:21828590

  7. Laser energy distribution on detector under the different incident angle

    NASA Astrophysics Data System (ADS)

    Wang, Y.; Wang, G.; Chen, Q.; Hao, Y.; Zhang, W.; Li, H.; Ren, G.; Zhu, R.

    2015-11-01

    Laser active suppressing jamming is one of the most important technologies in the domain of electro-optical countermeasures. The propagation direction of laser is not always in the same line with the principal axis of electro-optical imaging system, so it is necessary to investigate laser energy distribution on detector under the different incident angle. This paper toke optical system with wide field of view for example. We firstly analyzed the system's structure based on the inverting prism and evaluated image quality. Laser energy distribution caused by diffraction effect of optical system was secondly simulated based on Kirchhoff 's diffraction theory. Thirdly, we built the system's analysis model of stray light, traced a large number of light propagation, and obtained laser energy distribution on detector caused by scattering effect. At last, combine the above two kinds of energy distribution into total laser energy distribution on detector. According to the detector's saturated threshold, we can count up the saturated number and evaluate laser disturbing effect. The research results can provide theoretical reference and technical support for evaluating laser disturbing effect of electro-optical imaging system.

  8. The role of vdW interactions in coverage dependent adsorption energies of atomic adsorbates on Pt(111) and Pd(111)

    NASA Astrophysics Data System (ADS)

    Thirumalai, Hari; Kitchin, John R.

    2016-08-01

    Adsorption, a fundamental process in heterogeneous catalysis is known to be dependent on the adsorbate-adsorbate and surface-adsorbate bonds. van der Waals (vdW) interactions are one of the types of interactions that have not been examined thoroughly as a function of adsorbate coverage. In this work we quantify the vdW interactions for atomic adsorbates on late transition metal surfaces, and determine how these long range forces affect the coverage dependent adsorption energies. We calculate the adsorption energies of carbon, nitrogen, oxygen, sulfur, fluorine, bromine and chlorine species on Pt(111) and Pd(111) at coverages ranging from 1/4 to 1 ML using the BEEF-vdW functional. We observe that adsorption energies remain coverage dependent, and this coverage dependence is shown to be statistically significant. vdW interactions are found to be coverage dependent, but more significantly, they are found to be dependent on molecular properties such as adsorbate size, and consequently, correlate with the adsorbate effective nuclear charge. We observe that these interactions account for a reduction in the binding energy of the system, due to the destabilizing attractive interactions between the adsorbates which weaken its bond with the surface.

  9. Changes in the size of the apparent surface area and adsorption energy of the rye roots by low pH and the presence of aluminium ions induced

    NASA Astrophysics Data System (ADS)

    Szatanik-Kloc, Alicja

    2016-07-01

    The plant reactions on Al-stress include i.a. change of the surface area of the roots, which in the physicochemistry of plants characterizes the transport of water and ions through the root. The object of this study is the specific surface area of the roots of plants which are tolerant to aluminium, such as rye. Plants of rye were grown in a nutrient solution for 14 days at pH 4.5 in the presence of Al3+ ions of concentration 10, 20, and 40 mg dm-3. The control plants were grown continuously at pH 7 or pH 4.5 without Al3+. The apparent surface area and adsorption energy of the plants roots were determined from water vapour adsorption - desorption data. The apparent surface area of roots growing in the aluminium was (with respect to control) statistically significantly lower. There were no statistically significant differences in the apparent surface area of the roots which grew in pH 7, pH 4.5 without Al3+. The average water vapour adsorption energy of the root surface, under stress conditions decreased. In the roots grown in the presence of Al+3, there was a slight decrease in high energy adsorption centres and an increase in the amount of low-energy centres.

  10. Highly selective CO2 adsorption accompanied with low-energy regeneration in a two-dimensional Cu(II) porous coordination polymer with inorganic fluorinated PF6(-) anions.

    PubMed

    Noro, Shin-ichiro; Hijikata, Yuh; Inukai, Munehiro; Fukushima, Tomohiro; Horike, Satoshi; Higuchi, Masakazu; Kitagawa, Susumu; Akutagawa, Tomoyuki; Nakamura, Takayoshi

    2013-01-01

    High selectivity and low-energy regeneration for adsorption of CO(2) gas were achieved concurrently in a two-dimensional Cu(II) porous coordination polymer, [Cu(PF(6))(2)(4,4'-bpy)(2)](n) (4,4'-bpy = 4,4'-bipyridine), containing inorganic fluorinated PF(6)(-) anions that can act as moderate interaction sites for CO(2) molecules.

  11. Exploring Distributed Energy Alternatives to Electrical Distribution Grid Expansion in Souhern California Edison Service Territory

    SciTech Connect

    Stovall, Therese K; Kingston, Tim

    2005-12-01

    Distributed energy (DE) technologies have received much attention for the energy savings and electric power reliability assurances that may be achieved by their widespread adoption. Fueling the attention have been the desires to globally reduce greenhouse gas emissions and concern about easing power transmission and distribution system capacity limitations and congestion. However, these benefits may come at a cost to the electric utility companies in terms of lost revenue and concerns with interconnection on the distribution system. This study assesses the costs and benefits of DE to both consumers and distribution utilities and expands upon a precursory study done with Detroit Edison (DTE)1, by evaluating the combined impact of DE, energy-efficiency, photovoltaics (a use of solar energy), and demand response that will shape the grid of the future. This study was funded by the U.S. Department of Energy (DOE), Gas Research Institute (GRI), American Electric Power (AEP), and Gas Technology Institute's (GTI) Distributed Energy Collaborative Program (DECP). It focuses on two real Southern California Edison (SCE) circuits, a 13 MW suburban circuit fictitiously named Justice on the Lincoln substation, and an 8 MW rural circuit fictitiously named Prosper on the Washington Substation. The primary objectives of the study were threefold: (1) Evaluate the potential for using advanced energy technologies, including DE, energy-efficiency (EE), demand response, electricity storage, and photovoltaics (PV), to reshape electric load curves by reducing peak demand, for real circuits. (2) Investigate the potential impact on guiding technology deployment and managing operation in a way that benefits both utilities and their customers by: (a) Improving grid load factor for utilities; (b) Reducing energy costs for customers; and (c) Optimizing electric demand growth. (3) Demonstrate benefits by reporting on a recently installed advanced energy system at a utility customer site. This

  12. Energy distribution asymmetry of electron precipitation signatures at Mars

    NASA Astrophysics Data System (ADS)

    Soobiah, Y. I. J.; Barabash, S.; Nilsson, H.; Stenberg, G.; Lundin, R.; Coates, A. J.; Winningham, J. D.; Frahm, R. A.

    2013-02-01

    The different types of asymmetry observed in the energy distributions of electrons and heavy-ions (M/Q=16-44) during signatures of electron precipitation in the Martian ionosphere have been classified. This has been achieved using the space plasma instrumentation of MEX ASPERA-3 from peri-centre altitude to 2200 km. ASPERA-3 ELS observes signatures of electron precipitation on 43.0% of MEX orbits. Unaccelerated electrons in the form of sudden electron flux enhancements are the most common type of electron precipitation signature at Mars and account for ∼70% of the events observed in this study. Electrons that form unaccelerated electron precipitation signatures are either local ionospheric electrons with enhanced density, or electrons transported from another region of ionosphere, solar wind or tail, or a combination of local and transported electrons. The heating of electrons has a strong influence on the shape of most electron energy spectra from accelerated precipitation signatures. On most occasions the general flow of heavy-ions away from Mars is unchanged during the precipitation of electrons, which is thought to be the result of the finite gyroradius effect of the heavy-ions on crustal magnetic field lines. Only ∼17% of events show some form of heavy-ion acceleration that is either concurrent or at the periphery of an electron precipitation signature. The most common combination of electron and heavy-ion energy distributions for signatures of electron precipitation involves electrons that visually have very little asymmetry or are isotropic and heavy-ions that have a upward net flux, and suggest the upward current associated with aurora. Due to a lack of reliable measurements of electrons travelling towards Mars, it is likely we miss further evidence of upward currents. The second most common combination of electron and heavy-ion energy distributions for signatures of electron precipitation, are those distributions of electrons that are asymmetric and

  13. Adsorption of gases on carbon molecular sieves

    SciTech Connect

    Vyas, S.N.; Patwardhan, S.R.; Vijayalakshmi, S. . Dept. of Chemical Engineering); Ganesh, K.S. )

    1994-12-01

    Adsorption on carbon molecular sieves (CMS) prepared by coke deposition has become an interesting area of adsorption due to its microporous nature and favorable separation factor on size and shape selectivity basis for many gaseous systems. In the present work CMS was synthesized from coconut shell through three major steps, namely, carbonization, activation, and coke deposition by hydrocarbon cracking. The crushed, washed, and sieved granules of coconut shell (particle size 2--3 mm) were pretreated with sodium silicate solution and oven-dried at 150 C to create the inorganic sites necessary for coke deposition. Carbonization and activation of the dried granules were carried out at 800 C, for 30 min each. The activated char thus produced was subjected to hydrocarbon cracking at 600 C for periods varying from 30 to 180 min. The product samples were characterized in terms of adsorption isotherm, kinetic adsorption curve, surface area, pore volume, pore size distribution, and characteristic energy for adsorption by using O[sub 2], N[sub 2], C[sub 2]H[sub 2], CO[sub 2], C[sub 3]H[sub 6], and CH[sub 4].

  14. Energy distribution in quantized mesoscopic RLC electric circuit

    NASA Astrophysics Data System (ADS)

    Wu, Wei-Feng; Fan, Hong-Yi

    2016-09-01

    Quantum information processing experimentally depends on optical-electronic devices. In this paper, we consider quantized mesoscopic RLC (resistance, inductance and capacitance) electric circuit in stable case as a quantum statistical ensemble, and calculate energy distribution (i.e. the energy stored in inductance and capacitance as well as the energy consumed on the resistance). For this aim, we employ the technique of integration within ordered product (IWOP) of operator to derive the thermo-vacuum state for this mesoscopic system, with which ensemble average energy calculation is replaced by evaluating expected value in pure state. This approach is concise and the result we deduced is physically appealling.

  15. High-energy tail distributions and resonant wave particle interaction

    NASA Technical Reports Server (NTRS)

    Leubner, M. P.

    1983-01-01

    High-energy tail distributions (k distributions) are used as an alternative to a bi-Lorentzian distribution to study the influence of energetic protons on the right- and left-hand cyclotron modes in a hot two-temperature plasma. Although the parameters are chosen to be in a range appropriate to solar wind or magnetospheric configurations, the results apply not only to specific space plasmas. The presence of energetic particles significantly alters the behavior of the electromagnetic ion cyclotron modes, leading to a wide range of unstable frequencies and increased growth rates. From the strongly enhanced growth rates it can be concluded that high-energy tail distributions should not show major temperature anisotropies, which is consistent with observations.

  16. Energy distributions of sputtered copper neutrals and ions

    NASA Technical Reports Server (NTRS)

    Lundquist, T. R.

    1978-01-01

    Direct quantitative analysis of surfaces by secondary ion mass spectrometry will depend on an understanding of the yield ratio of ions to neutrals. This ratio as a function of the energy of the sputtered particles has been obtained for a clean polycrystalline copper surface sputtered by 1000-3000 eV Ar(+). The energy distributions of both neutral and ionized copper were measured with a retarding potential analyzer using potential modulation differentiation and signal averaging. The maximum for both distributions is identical and occurs near 2.5 eV. The energy distributions of neutrals is more sharply peaked than that of the ions, presumably as a consequence of more efficient nutralization of slow escaping ions by the mobile electrons of copper. The ion-neutral ratio is compared with results from various ionization models.

  17. Energy distribution of nanoflares in the quiet solar corona

    NASA Astrophysics Data System (ADS)

    Ulyanov, Artyom

    2012-07-01

    We present a detailed statistical analysis of flare-like events in low layer of solar corona detected with TESIS instrument onboard CORONAS-PHOTON satellite in 171 {Å} during high-cadence (5 sec) time-series. The estimated thermal energies of these small events amount to 10^{23} - 10^{26} erg. According to modern classification flare-like events with such energies are usually referred to as nanoflares. The big number of registered events (above 2000) allowed us to obtain precise distributions of geometric and physical parameters of nanoflares, the most intriguing being energy distribution. Following Aschwanden et al. (2000) and other authors we approximated the calculated energy distribution with a single power law slope: N(E)dE ˜ N^{-α}dE. The power law index was derived to be α = 2.4 ± 0.2, which is very close to the value reported by Krucker & Benz (1998): α ≈ 2.3 - 2.4. The total energy input from registered events constitute about 10^4 erg \\cdot cm^{-2} \\cdot s^{-1}, which is well beyond net losses in quiet corona (3 \\cdot 10^5 erg \\cdot cm^{-2} \\cdot s^{-1}). However, the value of α > 2 indicates that nanoflares with lower energies dominate over nanoflares with bigger energies and could contribute considerably to quiet corona heating.

  18. Velocity and energy distributions in microcanonical ensembles of hard spheres

    NASA Astrophysics Data System (ADS)

    Scalas, Enrico; Gabriel, Adrian T.; Martin, Edgar; Germano, Guido

    2015-08-01

    In a microcanonical ensemble (constant N V E , hard reflecting walls) and in a molecular dynamics ensemble (constant N V E PG , periodic boundary conditions) with a number N of smooth elastic hard spheres in a d -dimensional volume V having a total energy E , a total momentum P , and an overall center of mass position G , the individual velocity components, velocity moduli, and energies have transformed beta distributions with different arguments and shape parameters depending on d , N , E , the boundary conditions, and possible symmetries in the initial conditions. This can be shown marginalizing the joint distribution of individual energies, which is a symmetric Dirichlet distribution. In the thermodynamic limit the beta distributions converge to gamma distributions with different arguments and shape or scale parameters, corresponding respectively to the Gaussian, i.e., Maxwell-Boltzmann, Maxwell, and Boltzmann or Boltzmann-Gibbs distribution. These analytical results agree with molecular dynamics and Monte Carlo simulations with different numbers of hard disks or spheres and hard reflecting walls or periodic boundary conditions. The agreement is perfect with our Monte Carlo algorithm, which acts only on velocities independently of positions with the collision versor sampled uniformly on a unit half sphere in d dimensions, while slight deviations appear with our molecular dynamics simulations for the smallest values of N .

  19. Densely-packed ZnTPPs Monolayer on the Rutile TiO2(110)-(1×1) Surface: Adsorption Behavior and Energy Level Alignment

    PubMed Central

    Rangan, Sylvie; Ruggieri, Charles; Bartynski, Robert; Martínez, José Ignacio; Flores, Fernando; Ortega, José

    2016-01-01

    The adsorption of a densely packed Zinc(II) tetraphenylporphyrin monolayer on a rutile TiO2(110)-(1×1) surface has been studied using a combination of experimental and theoretical methods, aimed at analyzing the relation between adsorption behavior and barrier height formation. The adsorption configuration of ZnTPP was determined from scanning tunnel microscopy (STM) imaging, density functional theory (DFT) calculations and STM image simulation. The corresponding energy alignment was experimentally determined from X-ray and UV-photoemission spectroscopies and inverse photoemission spectroscopy. These results were found in good agreement with an appropriately corrected DFT model, pointing to the importance of local bonding and intermolecular interactions in the establishment of barrier heights. PMID:26998188

  20. A Petri Net model for distributed energy system

    NASA Astrophysics Data System (ADS)

    Konopko, Joanna

    2015-12-01

    Electrical networks need to evolve to become more intelligent, more flexible and less costly. The smart grid is the next generation power energy, uses two-way flows of electricity and information to create a distributed automated energy delivery network. Building a comprehensive smart grid is a challenge for system protection, optimization and energy efficient. Proper modeling and analysis is needed to build an extensive distributed energy system and intelligent electricity infrastructure. In this paper, the whole model of smart grid have been proposed using Generalized Stochastic Petri Nets (GSPN). The simulation of created model is also explored. The simulation of the model has allowed the analysis of how close the behavior of the model is to the usage of the real smart grid.

  1. A Petri Net model for distributed energy system

    SciTech Connect

    Konopko, Joanna

    2015-12-31

    Electrical networks need to evolve to become more intelligent, more flexible and less costly. The smart grid is the next generation power energy, uses two-way flows of electricity and information to create a distributed automated energy delivery network. Building a comprehensive smart grid is a challenge for system protection, optimization and energy efficient. Proper modeling and analysis is needed to build an extensive distributed energy system and intelligent electricity infrastructure. In this paper, the whole model of smart grid have been proposed using Generalized Stochastic Petri Nets (GSPN). The simulation of created model is also explored. The simulation of the model has allowed the analysis of how close the behavior of the model is to the usage of the real smart grid.

  2. Comparison of Measured Dark Current Distributions with Calculated Damage Energy Distributions in HgCdTe

    NASA Technical Reports Server (NTRS)

    Marshall, C. J.; Marshall, P. W.; Howe, C. L.; Reed, R. A.; Weller, R. A.; Mendenhall, M.; Waczynski, A.; Ladbury, R.; Jordan, T. M.

    2007-01-01

    This paper presents a combined Monte Carlo and analytic approach to the calculation of the pixel-to-pixel distribution of proton-induced damage in a HgCdTe sensor array and compares the results to measured dark current distributions after damage by 63 MeV protons. The moments of the Coulombic, nuclear elastic and nuclear inelastic damage distributions were extracted from Monte Carlo simulations and combined to form a damage distribution using the analytic techniques first described in [1]. The calculations show that the high energy recoils from the nuclear inelastic reactions (calculated using the Monte Carlo code MCNPX [2]) produce a pronounced skewing of the damage energy distribution. While the nuclear elastic component (also calculated using the MCNPX) contributes only a small fraction of the total nonionizing damage energy, its inclusion in the shape of the damage across the array is significant. The Coulombic contribution was calculated using MRED [3-5], a Geant4 [4,6] application. The comparison with the dark current distribution strongly suggests that mechanisms which are not linearly correlated with nonionizing damage produced according to collision kinematics are responsible for the observed dark current increases. This has important implications for the process of predicting the on-orbit dark current response of the HgCdTe sensor array.

  3. A Bio-Based Fuel Cell for Distributed Energy Generation

    SciTech Connect

    Anthony Terrinoni; Sean Gifford

    2008-06-30

    The technology we propose consists primarily of an improved design for increasing the energy density of a certain class of bio-fuel cell (BFC). The BFCs we consider are those which harvest electrons produced by microorganisms during their metabolism of organic substrates (e.g. glucose, acetate). We estimate that our technology will significantly enhance power production (per unit volume) of these BFCs, to the point where they could be employed as stand-alone systems for distributed energy generation.

  4. Thermal electron energy distribution measurements in the ionosphere.

    NASA Technical Reports Server (NTRS)

    Hays, P. B.; Nagy, A. F.

    1973-01-01

    A recoverable payload instrumented for twilight airglow studies was launched by an Aerobee 150 from the White Sands Test Range on Feb. 8, 1971 at 13.56 UT. The payload included a low energy electron spectrometer (HARP) and a cylindrical Langmuir probe. The HARP electron spectrometer is a new device designed to make high resolution differential electron flux measurements. Measurements of ionospheric electron energy distribution in the range from about 0.2 to 4.0 eV are presented.

  5. Thermodynamics of interfacial energy in binary metallic systems: influence of adsorption on dihedral angles

    SciTech Connect

    Shimizu, I. . E-mail: ichiko@eps.s.u-tiokyo.ac.jp; Takei, Y.

    2005-02-01

    The solid-liquid interfacial energy (or interfacial tension) was investigated by the lattice-liquid statistical calculation and by the Cahn-Hilliard theory of interface. Interfacial energies in binary metallic systems were estimated from a few bulk thermodynamic properties, i.e., melting temperature, entropy of fusion, and the critical temperature of the liquid phase. In eutectic systems, interfacial energy gradually increases with decreasing concentration of the solid species in the liquid. In monotectic systems, interfacial thickening occurs and interfacial energy is reduced around the liquid immiscibility gap. The results of calculation explain the experimental data of dihedral angles fairly well.

  6. Comparison of Measured Leakage Current Distributions with Calculated Damage Energy Distributions in HgCdTe

    NASA Technical Reports Server (NTRS)

    Marshall, C. J.; Ladbury, R.; Marshall, P. W.; Reed, R. A.; Howe, C.; Weller, B.; Mendenhall, M.; Waczynski, A.; Jordan, T. M.; Fodness, B.

    2006-01-01

    This paper presents a combined Monte Carlo and analytic approach to the calculation of the pixel-to-pixel distribution of proton-induced damage in a HgCdTe sensor array and compares the results to measured dark current distributions after damage by 63 MeV protons. The moments of the Coulombic, nuclear elastic and nuclear inelastic damage distribution were extracted from Monte Carlo simulations and combined to form a damage distribution using the analytic techniques first described in [I]. The calculations show that the high energy recoils from the nuclear inelastic reactions (calculated using the Monte Car10 code MCNPX [2]) produce a pronounced skewing of the damage energy distribution. The nuclear elastic component (also calculated using the MCNPX) has a negligible effect on the shape of the damage distribution. The Coulombic contribution was calculated using MRED [3,4], a Geant4 [4,5] application. The comparison with the dark current distribution strongly suggests that mechanisms which are not linearly correlated with nonionizing damage produced according to collision kinematics are responsible for the observed dark current increases. This has important implications for the process of predicting the on-orbit dark current response of the HgCdTe sensor array.

  7. Studies of influence of energy distribution on the upper atmosphere

    NASA Astrophysics Data System (ADS)

    Sheng, Cheng

    The energy inputs into the upper atmosphere including both solar irradiation and geomagnetic energy can significantly change the upper atmosphere such as the neutral and plasma densities, velocities and temperatures. Therefore, the precise specification of the energy inputs is critical to estimate the ionosphere/thermosphere variation during both quiet and storm times. In order to improve the understanding of the energy distribution and its influence at high latitudes, specifically, we have conducted the following studies. (1) Estimation of the altitudinal distribution of Joule heating from COSMIC observations. Joule heating is the most significant way to dissipate geomagnetic energy at high latitudes. But the altitudinal distribution of Joule heating has not been studied in detail. Based on the Constellation Observing System for Meteorology, Ionosphere, and Climate (COSMIC) observations from 2008 to 2011, the height-integrated Pedersen conductivities in both E (100-150 km) and F (150-600 km) regions and their ratio lambdaP (sumPE/sumPF) have been calculated. The result from data analysis (˜5.5) shows a smaller value than that from model (˜9), which indicates that the energy inputs into the F region may be underestimated in the model. Dependences of the ratio and the conductance in both E and F regions on the solar and geomagnetic activities have been studied as well. (2) The influence of cusp energy on the thermospheric winds has also been studied, through simulating a real event. The Global Ionosphere Thermosphere Model (GITM) has been run in different cases and under different resolutions to investigate the neutral dynamics around the cusp region. The results indicate that the heating added in the cusp causes the change of pressure gradient around the cusp and changes the neutral wind dynamics there. (3) Correlation of Poynting flux and soft particle precipitation in the dayside polar cap boundary regions has been investigated using DMSP satellite measurements

  8. Review of Test Facilities for Distributed Energy Resources

    SciTech Connect

    AKHIL,ABBAS ALI; MARNAY,CHRIS; KIPMAN,TIMOTHY

    2003-05-01

    Since initiating research on integration of distributed energy resources (DER) in 1999, the Consortium for Electric Reliability Technology Solutions (CERTS) has been actively assessing and reviewing existing DER test facilities for possible demonstrations of advanced DER system integration concepts. This report is a compendium of information collected by the CERTS team on DER test facilities during this period.

  9. Automated Energy Distribution and Reliability System (AEDR): Final Report

    SciTech Connect

    Buche, D. L.

    2008-07-01

    This report describes Northern Indiana Public Service Co. project efforts to develop an automated energy distribution and reliability system. The purpose of this project was to implement a database-driven GIS solution that would manage all of the company's gas, electric, and landbase objects.

  10. Multi-objective optimal dispatch of distributed energy resources

    NASA Astrophysics Data System (ADS)

    Longe, Ayomide

    This thesis is composed of two papers which investigate the optimal dispatch for distributed energy resources. In the first paper, an economic dispatch problem for a community microgrid is studied. In this microgrid, each agent pursues an economic dispatch for its personal resources. In addition, each agent is capable of trading electricity with other agents through a local energy market. In this paper, a simple market structure is introduced as a framework for energy trades in a small community microgrid such as the Solar Village. It was found that both sellers and buyers benefited by participating in this market. In the second paper, Semidefinite Programming (SDP) for convex relaxation of power flow equations is used for optimal active and reactive dispatch for Distributed Energy Resources (DER). Various objective functions including voltage regulation, reduced transmission line power losses, and minimized reactive power charges for a microgrid are introduced. Combinations of these goals are attained by solving a multiobjective optimization for the proposed ORPD problem. Also, both centralized and distributed versions of this optimal dispatch are investigated. It was found that SDP made the optimal dispatch faster and distributed solution allowed for scalability.

  11. Automated Energy Distribution and Reliability System Status Report

    SciTech Connect

    Buche, D. L.; Perry, S.

    2007-10-01

    This report describes Northern Indiana Public Service Co. project efforts to develop an automated energy distribution and reliability system. The purpose of this project was to implement a database-driven GIS solution that would manage all of the company's gas, electric, and landbase objects.

  12. Energy loss analysis of an integrated space power distribution system

    NASA Technical Reports Server (NTRS)

    Kankam, M. D.; Ribeiro, P. F.

    1992-01-01

    The results of studies related to conceptual topologies of an integrated utility-like space power system are described. The system topologies are comparatively analyzed by considering their transmission energy losses as functions of mainly distribution voltage level and load composition. The analysis is expedited by use of a Distribution System Analysis and Simulation (DSAS) software. This recently developed computer program by the Electric Power Research Institute (EPRI) uses improved load models to solve the power flow within the system. However, present shortcomings of the software with regard to space applications, and incompletely defined characteristics of a space power system make the results applicable to only the fundamental trends of energy losses of the topologies studied. Accountability, such as included, for the effects of the various parameters on the system performance can constitute part of a planning tool for a space power distribution system.

  13. Energy dependent growth of nucleon and inclusive charged hadron distributions

    NASA Astrophysics Data System (ADS)

    Wang, Hong-Min; Hou, Zhao-Yu; Sun, Xian-Jing

    2015-11-01

    In the Color Glass Condensate formalism, charged hadron pT spectra in p+p and p+Pb collisions are studied by considering an energy-dependent broadening of nucleon density distribution. Then, in the glasma flux tube picture, the n-particle multiplicity distributions at different pseudo-rapidity ranges are investigated. Both the theoretical results show good agreement with the recent experimental data from ALICE and CMS at LHC energies. The predictive results for pT or multiplicity distributions in p+p and p+Pb collisions at the Large Hadron Collider are also given in this paper. Supported by Natural Science Foundation of Hebei Province (A2012210043)

  14. Distributed Frequency Control of Prosumer-Based Electric Energy Systems

    SciTech Connect

    Nazari, MH; Costello, Z; Feizollahi, MJ; Grijalva, S; Egerstedt, M

    2014-11-01

    In this paper, we propose a distributed frequency regulation framework for prosumer-based electric energy systems, where a prosumer (producer-consumer) is defined as an intelligent agentwhich can produce, consume, and/or store electricity. Despite the frequency regulators being distributed, stability can be ensured while avoiding inter-area oscillations using a limited control effort. To achieve this, a fully distributed one-step model-predictive control protocol is proposed and analyzed, whereby each prosumer communicates solely with its neighbors in the network. The efficacy of the proposed frequency regulation framework is shown through simulations on two real-world electric energy systems of different scale and complexity. We show that prosumers can indeed bring frequency and power deviations to their desired values after small perturbations.

  15. Electron energy distribution in a dusty plasma: analytical approach.

    PubMed

    Denysenko, I B; Kersten, H; Azarenkov, N A

    2015-09-01

    Analytical expressions describing the electron energy distribution function (EEDF) in a dusty plasma are obtained from the homogeneous Boltzmann equation for electrons. The expressions are derived neglecting electron-electron collisions, as well as transformation of high-energy electrons into low-energy electrons at inelastic electron-atom collisions. At large electron energies, the quasiclassical approach for calculation of the EEDF is applied. For the moderate energies, we account for inelastic electron-atom collisions in the dust-free case and both inelastic electron-atom and electron-dust collisions in the dusty plasma case. Using these analytical expressions and the balance equation for dust charging, the electron energy distribution function, the effective electron temperature, the dust charge, and the dust surface potential are obtained for different dust radii and densities, as well as for different electron densities and radio-frequency (rf) field amplitudes and frequencies. The dusty plasma parameters are compared with those calculated numerically by a finite-difference method taking into account electron-electron collisions and the transformation of high-energy electrons at inelastic electron-neutral collisions. It is shown that the analytical expressions can be used for calculation of the EEDF and dusty plasma parameters at typical experimental conditions, in particular, in the positive column of a direct-current glow discharge and in the case of an rf plasma maintained by an electric field with frequency f=13.56MHz.

  16. Strain energy release rate distributions for double cantilever beam specimens

    NASA Technical Reports Server (NTRS)

    Crews, J. H., Jr.; Shivakumar, K. N.; Raju, I. S.

    1991-01-01

    A 24-ply composite double cantilever-beam specimen under mode I (opening) loading has been analyzed by a 3D FEM code that calculated along a straight delamination starter for several different specimen materials. An isotropic specimen was found to have a strain-energy release rate distribution which varied along its delamination front due to the boundary-layer effect and another effect associated with the anticlastic curvature of the bent specimen arms. A 0-deg graphite-reinforced epoxy specimen had a nearly-uniform strain-energy release rate distribution which dropped only near the edge, due to the boundary-layer effect, and a +/- 45-deg graphite/epoxy specimen exhibited a pronounced strain-energy release rate variation across the specimen width.

  17. Collisionless Plasma Modeling in an Arbitrary Potential Energy Distribution

    NASA Technical Reports Server (NTRS)

    Liemohn, M. W.; Khazanov, G. V.

    1997-01-01

    A new technique for calculating a collisionless plasma along a field line is presented. The primary feature of the new model is that it can handle an arbitrary (including nonmonotonic) potential energy distribution. This was one of the limiting constraints on the existing models in this class, and these constraints are generalized for an arbitrary potential energy composition. The formulation for relating current density to the field-aligned potential as well as formulas for density, temperature and energy flux calculations are presented for several distribution functions, ranging from a bi-Lorentzian with a loss cone to an isotropic Maxwellian. A comparison of these results with previous models shows that the formulation reduces.to the earlier models under similar assumptions.

  18. Benefits of Power Electronic Interfaces for Distributed Energy Systems

    SciTech Connect

    Kroposki, B.; Pink, C.; DeBlasio, R.; Thomas, H.; Simoes, M.; Sen, P. K.

    2006-01-01

    Optimization of overall electrical system performance is important for the long-term economic viability of distributed energy (DE) systems. With the increasing use of DE systems in industry and its technological advancement, it is becoming more important to understand the integration of these systems with the electric power systems. New markets and benefits for distributed energy applications include the ability to provide ancillary services, improve energy efficiency, enhance power system reliability, and allow customer choice. Advanced power electronic (PE) interfaces will allow DE systems to provide increased functionality through improved power quality and voltage/VAR support, increase electrical system compatibility by reducing the fault contributions, and flexibility in operations with various other DE sources, while reducing overall interconnection costs. This paper examines the system integration and optimization issues associated with DE systems and show the benefits of using PE interfaces for such applications.

  19. Polymer adsorption

    NASA Astrophysics Data System (ADS)

    Joanny, Jean-Francois

    2008-03-01

    The aim of this talk is to review Pierre-Gilles deGennes' work on polymer adsorption and the impact that it has now in our understanding of this problem. We will first present the self-consistent mean-field theory and its applications to adsorption and depletion. De Gennes most important contribution is probably the derivation of the self-similar power law density profile for adsorbed polymer layers that we will present next, emphasizing the differences between the tail sections and the loop sections of the adsorbed polymers. We will then discuss the kinetics of polymer adsorption and the penetration of a new polymer chain in an adsobed layer that DeGennes described very elegantly in analogy with a quantum tunneling problem. Finally, we will discuss the role of polymer adsorption for colloid stabilization.

  20. Optimal Voltage Regulation for Unbalanced Distribution Networks Considering Distributed Energy Resources

    SciTech Connect

    Xu, Yan; Tomsovic, Kevin

    2015-01-01

    With increasing penetration of distributed generation in the distribution networks (DN), the secure and optimal operation of DN has become an important concern. In this paper, an iterative quadratic constrained quadratic programming model to minimize voltage deviations and maximize distributed energy resource (DER) active power output in a three phase unbalanced distribution system is developed. The optimization model is based on the linearized sensitivity coefficients between controlled variables (e.g., node voltages) and control variables (e.g., real and reactive power injections of DERs). To avoid the oscillation of solution when it is close to the optimum, a golden search method is introduced to control the step size. Numerical simulations on modified IEEE 13 nodes test feeders show the efficiency of the proposed model. Compared to the results solved by heuristic search (harmony algorithm), the proposed model converges quickly to the global optimum.

  1. Metal-organic frameworks for upgrading biogas via CO2 adsorption to biogas green energy.

    PubMed

    Chaemchuen, Somboon; Kabir, Nawsad Alam; Zhou, Kui; Verpoort, Francis

    2013-12-21

    In the midst of the global climate change phenomenon, mainly caused by fossil fuel burning to provide energy for our daily life and discharge of CO2 into the atmosphere, biogas is one of the important renewable energy sources that can be upgraded and applied as a fuel source for energy in daily life. The advantages of the production of hybrid materials, metal-organic framework (MOF) adsorbents, expected for the biogas upgrading, rely on the bulk separation of CO2 under near-ambient conditions. This review highlights the challenges for MOF adsorbents, which have the greatest upgrading abilities for biogas via selective passage of methane. The key factors improving the ideal MOF materials for these high CO2 capture and selectivity uses for biogas upgrading to produce bio-methane and reduce fossil-fuel CO2 emission will be discussed.

  2. Distributed energy resources at naval base ventura county building 1512

    SciTech Connect

    Bailey, Owen C.; Marnay, Chris

    2004-10-01

    This paper reports the findings of a preliminary assessment of the cost effectiveness of distributed energy resources at Naval Base Ventura County (NBVC) Building 1512. This study was conducted in response to the base's request for design assistance to the Federal Energy Management Program. Given the current tariff structure there are two main decisions facing NBVC: whether to install distributed energy resources (DER), or whether to continue the direct access energy supply contract. At the current effective rate, given assumptions about the performance and structure of building energy loads and available generating technology characteristics, the results of this study indicate that if the building installed a 600 kW DER system with absorption cooling and heat capabilities chosen by cost minimization, the energy cost savings would be about 14 percent, or $55,000 per year. However, under current conditions, this study also suggests that significant savings could be obtained if Building 1 512 changed from the direct access contract to a SCE TOU-8 (Southern California Edison time of use tariff number 8) rate without installing a DER system. At current SCE TOU-8 tariffs, the potential savings from installation of a DER system would be about 4 percent, or $15,000 per year.

  3. The spectral energy distribution of Zeta Puppis and HD 50896

    NASA Technical Reports Server (NTRS)

    Holm, A. V.; Cassinelli, J. P.

    1977-01-01

    The ultraviolet spectral energy distribution of the O5f star Zeta Pup and the WN5 star HD 50896 are derived from OAO-2 observations with the calibration of Bless, Code, and Fairchild (1976). An estimate of the interstellar reddening (0.12 magnitude) of the Wolf-Rayet star is determined from the size of the characteristic interstellar extinction bump at 4.6 inverse microns. After correction for extinction, both stars show a flat energy distribution in the ultraviolet. The distribution of HD 50896 from 1100 A to 2 microns is in good agreement with results of extended model atmospheres, but some uncertainty remains because of the interstellar-extinction correction. The absolute energy distribution of Zeta Pup is fitted by a 42,000-K plane-parallel model if the model's flux is adjusted for the effects of electron scattering in the stellar wind and for UV line blanketing that was determined empirically from high-resolution Copernicus satellite observations. To achieve this fit, it is necessary to push both the spectroscopically determined temperature and the ultraviolet calibration to the limits of their probable errors.

  4. Steam distribution and energy delivery optimization using wireless sensors

    NASA Astrophysics Data System (ADS)

    Olama, Mohammed M.; Allgood, Glenn O.; Kuruganti, Teja P.; Sukumar, Sreenivas R.; Djouadi, Seddik M.; Lake, Joe E.

    2011-05-01

    The Extreme Measurement Communications Center at Oak Ridge National Laboratory (ORNL) explores the deployment of a wireless sensor system with a real-time measurement-based energy efficiency optimization framework in the ORNL campus. With particular focus on the 12-mile long steam distribution network in our campus, we propose an integrated system-level approach to optimize the energy delivery within the steam distribution system. We address the goal of achieving significant energy-saving in steam lines by monitoring and acting on leaking steam valves/traps. Our approach leverages an integrated wireless sensor and real-time monitoring capabilities. We make assessments on the real-time status of the distribution system by mounting acoustic sensors on the steam pipes/traps/valves and observe the state measurements of these sensors. Our assessments are based on analysis of the wireless sensor measurements. We describe Fourier-spectrum based algorithms that interpret acoustic vibration sensor data to characterize flows and classify the steam system status. We are able to present the sensor readings, steam flow, steam trap status and the assessed alerts as an interactive overlay within a web-based Google Earth geographic platform that enables decision makers to take remedial action. We believe our demonstration serves as an instantiation of a platform that extends implementation to include newer modalities to manage water flow, sewage and energy consumption.

  5. Steam distribution and energy delivery optimization using wireless sensors

    SciTech Connect

    Olama, Mohammed M; Allgood, Glenn O; Kuruganti, Phani Teja; Sukumar, Sreenivas R; Djouadi, Seddik M; Lake, Joe E

    2011-01-01

    The Extreme Measurement Communications Center at Oak Ridge National Laboratory (ORNL) explores the deployment of a wireless sensor system with a real-time measurement-based energy efficiency optimization framework in the ORNL campus. With particular focus on the 12-mile long steam distribution network in our campus, we propose an integrated system-level approach to optimize the energy delivery within the steam distribution system. We address the goal of achieving significant energy-saving in steam lines by monitoring and acting on leaking steam valves/traps. Our approach leverages an integrated wireless sensor and real-time monitoring capabilities. We make assessments on the real-time status of the distribution system by mounting acoustic sensors on the steam pipes/traps/valves and observe the state measurements of these sensors. Our assessments are based on analysis of the wireless sensor measurements. We describe Fourier-spectrum based algorithms that interpret acoustic vibration sensor data to characterize flows and classify the steam system status. We are able to present the sensor readings, steam flow, steam trap status and the assessed alerts as an interactive overlay within a web-based Google Earth geographic platform that enables decision makers to take remedial action. We believe our demonstration serves as an instantiation of a platform that extends implementation to include newer modalities to manage water flow, sewage and energy consumption.

  6. (e,2e) Angular Distributions and Energy Spectra in Cadmium

    NASA Astrophysics Data System (ADS)

    Martin, N. L. S.; Bauman, R. P.; Ross, K. J.; Wilson, M.

    1996-05-01

    Early angular distribution measurements on the Cd 4d^95s^25p ^3P1 autoionizing level( N.L.S. Martin and K.J. Ross, J. Phys. B 17), 4033 (1984). did not correspond with those expected from a single level of mixed ^3P+^1P character. An analysis indicated that the results were consistent with the combined angular distributions of the ^3P1 level and a previously unknown ^1D2 even parity autoionizing level at a slightly displaced ejected-electron energy. Recent (e,2e) energy spectra measurements( N.L.S. Martin, D.B. Thompson, R.P. Bauman, M. Wilson, Phys.Rev.A 50), 3878 (1994). that spanned the 4d^95s^25p energy region were interpreted with the help of ab initio structure and plane wave Born amplitude calculations. It was found that the experimental data could be modeled satisfactorily without including a ^1D2 level close to the ^3P1 level. We will present new calculations which reconcile these apparent contradictions between the angular distributions and energy spectra.

  7. 10 CFR 431.193 - Test procedures for measuring energy consumption of distribution transformers.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 10 Energy 3 2011-01-01 2011-01-01 false Test procedures for measuring energy consumption of distribution transformers. 431.193 Section 431.193 Energy DEPARTMENT OF ENERGY ENERGY CONSERVATION ENERGY... § 431.193 Test procedures for measuring energy consumption of distribution transformers. The...

  8. 10 CFR 431.193 - Test procedures for measuring energy consumption of distribution transformers.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 10 Energy 3 2010-01-01 2010-01-01 false Test procedures for measuring energy consumption of distribution transformers. 431.193 Section 431.193 Energy DEPARTMENT OF ENERGY ENERGY CONSERVATION ENERGY... § 431.193 Test procedures for measuring energy consumption of distribution transformers. The...

  9. Initial energy and perihelion distributions of Oort-cloud comets

    NASA Technical Reports Server (NTRS)

    Weissman, P. R.

    1977-01-01

    A Monte Carlo model of stellar perturbations of the Oort cloud is used to study the distributions in energy and perihelion of comets entering the planetary region for the first time. The model is run for a variety of initial states and a range of velocity perturbations. In all cases the resulting orbits are uniformly distributed in perihelion distance in the planetary region, q less than 20 AU. Most orbits are confined to a fairly narrow range in 1/a and hyperbolic orbits are rare.

  10. Energy management and control of active distribution systems

    NASA Astrophysics Data System (ADS)

    Shariatzadeh, Farshid

    Advancements in the communication, control, computation and information technologies have driven the transition to the next generation active power distribution systems. Novel control techniques and management strategies are required to achieve the efficient, economic and reliable grid. The focus of this work is energy management and control of active distribution systems (ADS) with integrated renewable energy sources (RESs) and demand response (DR). Here, ADS mean automated distribution system with remotely operated controllers and distributed energy resources (DERs). DER as active part of the next generation future distribution system includes: distributed generations (DGs), RESs, energy storage system (ESS), plug-in hybrid electric vehicles (PHEV) and DR. Integration of DR and RESs into ADS is critical to realize the vision of sustainability. The objective of this dissertation is the development of management architecture to control and operate ADS in the presence of DR and RES. One of the most challenging issues for operating ADS is the inherent uncertainty of DR and RES as well as conflicting objective of DER and electric utilities. ADS can consist of different layers such as system layer and building layer and coordination between these layers is essential. In order to address these challenges, multi-layer energy management and control architecture is proposed with robust algorithms in this work. First layer of proposed multi-layer architecture have been implemented at the system layer. Developed AC optimal power flow (AC-OPF) generates fair price for all DR and non-DR loads which is used as a control signal for second layer. Second layer controls DR load at buildings using a developed look-ahead robust controller. Load aggregator collects information from all buildings and send aggregated load to the system optimizer. Due to the different time scale at these two management layers, time coordination scheme is developed. Robust and deterministic controllers

  11. Liquid-Phase Adsorption of Phenol onto Activated Carbons Prepared with Different Activation Levels.

    PubMed

    Hsieh; Teng

    2000-10-01

    The influence of the pore size distribution of activated carbon on the adsorption of phenol from aqueous solutions was explored. Activated carbons with different porous structures were prepared by gasifying a bituminous coal char to different extents of burn-off. The results of adsorption experiments show that the phenol capacity of these carbons does not proportionally increase with their BET surface area. This reflects the heterogeneity of the carbon surface for adsorption. The pore size distributions of these carbons, determined according to the Dubinin-Stoeckli equation, were found to vary with the burn-off level. By incorporating the distribution with the Dubinin-Radushkevich equation using an inverse proportionality between the micropore size and the adsorption energy, the isotherms for the adsorption of phenol onto these carbons can be well predicted. The present study has demonstrated that the heterogeneity of carbon surface for the phenol adsorption can be attributed to the different energies required for adsorption in different-size micropores. Copyright 2000 Academic Press. PMID:10998301

  12. Fractional Statistical Theory of Adsorption of Polyatomics

    NASA Astrophysics Data System (ADS)

    Riccardo, J. L.; Ramirez-Pastor, A. J.; Romá, F.

    2004-10-01

    A new theoretical description of fractional statistical theory of adsorption (FSTA) phenomena is presented based on Haldane’s statistics. Thermodynamic functions for adsorption of polyatomics are analytically developed. The entropy is characterized by an exclusion parameter g, which relates to the configuration of the admolecules and surface geometry. FSTA provides a simple framework to address a large class of complex adsorption systems. Comparisons of theoretical adsorption isotherms with experiments and simulations indicate that adsorption configuration and adsorption energy can accurately be assessed from this theory.

  13. Fractional statistical theory of adsorption of polyatomics.

    PubMed

    Riccardo, J L; Ramirez-Pastor, A J; Romá, F

    2004-10-29

    A new theoretical description of fractional statistical theory of adsorption (FSTA) phenomena is presented based on Haldane's statistics. Thermodynamic functions for adsorption of polyatomics are analytically developed. The entropy is characterized by an exclusion parameter g, which relates to the configuration of the admolecules and surface geometry. FSTA provides a simple framework to address a large class of complex adsorption systems. Comparisons of theoretical adsorption isotherms with experiments and simulations indicate that adsorption configuration and adsorption energy can accurately be assessed from this theory. PMID:15525184

  14. Sulfate adsorption on goethite

    SciTech Connect

    Rietra, R.P.J.J.; Hiemstra, T.; Riemsdijk, W.H. van

    1999-10-15

    Recent spectroscopic work has suggested that only one surface species of sulfate is dominant on hematite. Sulfate is therefore a very suitable anion to test and develop adsorption models for variable charge minerals. The authors have studied sulfate adsorption on goethite covering a large range of sulfate concentrations, surface coverages, pH values, and electrolyte concentrations. Four different techniques were used to cover the entire range of conditions. For characterization at low sulfate concentrations, below the detection limit of sulfate with ICP-AES, the authors used proton-sulfate titrations at constant pH. Adsorption isotherms were studied for the intermediate sulfate concentration range. Acid-base titrations in sodium sulfate and electromobility were used for high sulfate concentrations. All the data can be modeled with one adsorbed species if it is assumed that the charge of adsorbed sulfate is spatially distributed in the interface. The charge distribution of sulfate follows directly from modeling the proton-sulfate adsorption stoichoimemtry sine this stoichiometry is independent of the intrinsic affinity constant of sulfate. The charge distribution can be related to the structure of the surface complex by use of the Pauling bond valence concept and is in accordance with the microscopic structure found by spectroscopy. The intrinsic affinity constant follows from the other measurements. Modeling of the proton-ion stoichoimetry with the commonly used 2-pK models, where adsorbed ions are treated as point charges, is possible only if at least two surface species for sulfate are used.

  15. On Measuring Cosmic Ray Energy Spectra with the Rapidity Distributions

    NASA Technical Reports Server (NTRS)

    Bashindzhagyan, G.; Adams, J.; Chilingarian, A.; Drury, L.; Egorov, N.; Golubkov, S.; Korotkova, N.; Panasyuk, M.; Podorozhnyi, D.; Procqureur, J.

    2000-01-01

    An important goal of cosmic ray research is to measure the elemental energy spectra of galactic cosmic rays up to 10(exp 16) eV. This goal cannot be achieved with an ionization calorimeter because the required instrument is too massive for space flight. An alternate method will be presented. This method is based on measuring the primary particle energy by determining the angular distribution of secondaries produced in a target layer. The proposed technique can be used over a wide range of energies (10 (exp 11) -10 (exp 16) eV) and gives an energy resolution of 60% or better. Based on this technique, a conceptual design for a new instrument (KLEM) will be presented. Due to its light weight, this instrument can have a large aperture enabling the direct measurement of cosmic rays to 1016 eV.

  16. Fabrication of Low Adsorption Energy Ni-Mo Cluster Cocatalyst in Metal-Organic Frameworks for Visible Photocatalytic Hydrogen Evolution.

    PubMed

    Zhen, Wenlong; Gao, Haibo; Tian, Bin; Ma, Jiantai; Lu, Gongxuan

    2016-05-01

    An effective cocatalyst is crucial for enhancing the visible photocatalytic performance of the hydrogen generation reaction. By using density-functional theory (DFT) and frontier molecular orbital (FMO) theory calculation analysis, the hydrogen adsorption free energy (ΔGH) of Ni-Mo alloy (458 kJ·mol(-1)) is found to be lower than that of Ni itself (537 kJ·mol(-1)). Inspired by these results, the novel, highly efficient cocatalyst NiMo@MIL-101 for photocatalysis of the hydrogen evolution reaction (HER) was fabricated using the double solvents method (DSM). In contrast with Ni@MIL-101 and Mo@MIL-101, NiMo@MIL-101 exhibited an excellent photocatalytic performance (740.2 μmol·h(-1) for HER), stability, and high apparent quantum efficiency (75.7%) under 520 nm illumination at pH 7. The NiMo@MIL-101 catalyst also showed a higher transient photocurrent, lower overpotential (-0.51 V), and longer fluorescence lifetime (1.57 ns). The results uncover the dependence of the photocatalytic activity of HER on the ΔGH of Ni-Mo (MoNi4) alloy nanoclusters, i.e., lower ΔGH corresponding to higher HER activity for the first time. The NiMo@MIL-101 catalyst could be a promising candidate to replace precious-metal catalysts of the HER.

  17. Band-Filling Correction Method for Accurate Adsorption Energy Calculations: A Cu/ZnO Case Study.

    PubMed

    Hellström, Matti; Spångberg, Daniel; Hermansson, Kersti; Broqvist, Peter

    2013-11-12

    We present a simple method, the "band-filling correction", to calculate accurate adsorption energies (Eads) in the low coverage limit from finite-size supercell slab calculations using DFT. We show that it is necessary to use such a correction if charge transfer takes place between the adsorbate and the substrate, resulting in the substrate bands either filling up or becoming depleted. With this correction scheme, we calculate Eads of an isolated Cu atom adsorbed on the ZnO(101̅0) surface. Without the correction, the calculated Eads is highly coverage-dependent, even for surface supercells that would typically be considered very large (in the range from 1 nm × 1 nm to 2.5 nm × 2.5 nm). The correction scheme works very well for semilocal functionals, where the corrected Eads is converged within 0.01 eV for all coverages. The correction scheme also works well for hybrid functionals if a large supercell is used and the exact exchange interaction is screened. PMID:26583386

  18. Applications of hierarchically structured porous materials from energy storage and conversion, catalysis, photocatalysis, adsorption, separation, and sensing to biomedicine.

    PubMed

    Sun, Ming-Hui; Huang, Shao-Zhuan; Chen, Li-Hua; Li, Yu; Yang, Xiao-Yu; Yuan, Zhong-Yong; Su, Bao-Lian

    2016-06-13

    Over the last decade, significant effort has been devoted to the applications of hierarchically structured porous materials owing to their outstanding properties such as high surface area, excellent accessibility to active sites, and enhanced mass transport and diffusion. The hierarchy of porosity, structural, morphological and component levels in these materials is key for their high performance in all kinds of applications. The introduction of hierarchical porosity into materials has led to a significant improvement in the performance of materials. Herein, recent progress in the applications of hierarchically structured porous materials from energy conversion and storage, catalysis, photocatalysis, adsorption, separation, and sensing to biomedicine is reviewed. Their potential future applications are also highlighted. We particularly dwell on the relationship between hierarchically porous structures and properties, with examples of each type of hierarchically structured porous material according to its chemical composition and physical characteristics. The present review aims to open up a new avenue to guide the readers to quickly obtain in-depth knowledge of applications of hierarchically porous materials and to have a good idea about selecting and designing suitable hierarchically porous materials for a specific application. In addition to focusing on the applications of hierarchically porous materials, this comprehensive review could stimulate researchers to synthesize new advanced hierarchically porous solids.

  19. Fabrication of Low Adsorption Energy Ni-Mo Cluster Cocatalyst in Metal-Organic Frameworks for Visible Photocatalytic Hydrogen Evolution.

    PubMed

    Zhen, Wenlong; Gao, Haibo; Tian, Bin; Ma, Jiantai; Lu, Gongxuan

    2016-05-01

    An effective cocatalyst is crucial for enhancing the visible photocatalytic performance of the hydrogen generation reaction. By using density-functional theory (DFT) and frontier molecular orbital (FMO) theory calculation analysis, the hydrogen adsorption free energy (ΔGH) of Ni-Mo alloy (458 kJ·mol(-1)) is found to be lower than that of Ni itself (537 kJ·mol(-1)). Inspired by these results, the novel, highly efficient cocatalyst NiMo@MIL-101 for photocatalysis of the hydrogen evolution reaction (HER) was fabricated using the double solvents method (DSM). In contrast with Ni@MIL-101 and Mo@MIL-101, NiMo@MIL-101 exhibited an excellent photocatalytic performance (740.2 μmol·h(-1) for HER), stability, and high apparent quantum efficiency (75.7%) under 520 nm illumination at pH 7. The NiMo@MIL-101 catalyst also showed a higher transient photocurrent, lower overpotential (-0.51 V), and longer fluorescence lifetime (1.57 ns). The results uncover the dependence of the photocatalytic activity of HER on the ΔGH of Ni-Mo (MoNi4) alloy nanoclusters, i.e., lower ΔGH corresponding to higher HER activity for the first time. The NiMo@MIL-101 catalyst could be a promising candidate to replace precious-metal catalysts of the HER. PMID:27070204

  20. Consistent energy barrier distributions in magnetic particle chains

    NASA Astrophysics Data System (ADS)

    Laslett, O.; Ruta, S.; Chantrell, R. W.; Barker, J.; Friedman, G.; Hovorka, O.

    2016-04-01

    We investigate long-time thermal activation behaviour in magnetic particle chains of variable length. Chains are modelled as Stoner-Wohlfarth particles coupled by dipolar interactions. Thermal activation is described as a hopping process over a multidimensional energy landscape using the discrete orientation model limit of the Landau-Lifshitz-Gilbert dynamics. The underlying master equation is solved by diagonalising the associated transition matrix, which allows the evaluation of distributions of time scales of intrinsic thermal activation modes and their energy representation. It is shown that as a result of the interaction dependence of these distributions, increasing the particle chain length can lead to acceleration or deceleration of the overall relaxation process depending on the initialisation procedure.

  1. Autonomous and Adaptive Voltage Control using Multiple Distributed Energy Resources

    SciTech Connect

    Li, Huijuan; Li, Fangxing; Xu, Yan; Rizy, D Tom

    2012-01-01

    Voltage regulation using distributed energy resources (DE) or distributed generators (DG) with power electronics interfaces and logic control has drawn increasing interests. This paper addresses the challenges of controlling multiple DEs to regulate voltages in distribution systems using an autonomous and adaptive control approach. Theoretical analysis shows that there exists a corresponding formulation of the dynamic control parameters with multiple DEs. Hence, the proposed control method is theoretically solid. Simulation results confirm that this method is capable of satisfying the fast response requirement for operational use without causing oscillation or inefficiency. This method is autonomous based on local information and the other DEs input without the instructions from any control center, is widely adaptive to variable power system operational situations, and has a high tolerance to data shortage of systems parameter. Hence, it is suitable for broad utility application

  2. Adsorption of Iodine and Potassium on Bi2Sr2CaCu2O8+δ Investigated by Low Energy Alkali Ion Scattering

    SciTech Connect

    Gu, G.D.; Gann, R.D.; Cao, J.X.; Wu, R.Q.; Wen, J.; Xu, Z.; Gu, G.D.; Yarmoff, J.A.

    2010-01-01

    The adsorption of K and I on the surface of the high-T{sub c} cuprate BSCCO-2212 is investigated with low-energy (0.8 to 2 keV) Na{sup +} ion scattering and density functional theory (DFT). Samples were cleaved in ultrahigh vacuum and charge-resolved spectra of the scattered ions were collected with time-of-flight. The spectra contain a single peak representing Na scattered from Bi, as the clean surfaces are terminated by BiO. The neutralization of scattered Na depends on the local potential above the target site, and the angular dependence indicates that the clean surface has an inhomogeneous potential. Neutralization is dependent on the coverage of I, but independent of K adsorption. DFT suggests high-symmetry sites for the adsorption of both I and K, and that the potential above the Bi sites is altered by I by an amount consistent with the experimental findings, while the potential is not affected by K adsorption. DFT also enables an experimental determination of the 'freezing distance,' which is the effective point beyond which charge exchange does not occur, to be 1.6 {+-} 0.1 {angstrom} from the outermost Bi layer.

  3. Network Capacity Assessment of CHP-based Distributed Generation on Urban Energy Distribution Networks

    NASA Astrophysics Data System (ADS)

    Zhang, Xianjun

    The combined heat and power (CHP)-based distributed generation (DG) or dis-tributed energy resources (DERs) are mature options available in the present energy market, considered to be an effective solution to promote energy efficiency. In the urban environment, the electricity, water and natural gas distribution networks are becoming increasingly interconnected with the growing penetration of the CHP-based DG. Subsequently, this emerging interdependence leads to new topics meriting serious consideration: how much of the CHP-based DG can be accommodated and where to locate these DERs, and given preexisting constraints, how to quantify the mutual impacts on operation performances between these urban energy distribution networks and the CHP-based DG. The early research work was conducted to investigate the feasibility and design methods for one residential microgrid system based on existing electricity, water and gas infrastructures of a residential community, mainly focusing on the economic planning. However, this proposed design method cannot determine the optimal DG sizing and siting for a larger test bed with the given information of energy infrastructures. In this context, a more systematic as well as generalized approach should be developed to solve these problems. In the later study, the model architecture that integrates urban electricity, water and gas distribution networks, and the CHP-based DG system was developed. The proposed approach addressed the challenge of identifying the optimal sizing and siting of the CHP-based DG on these urban energy networks and the mutual impacts on operation performances were also quantified. For this study, the overall objective is to maximize the electrical output and recovered thermal output of the CHP-based DG units. The electricity, gas, and water system models were developed individually and coupled by the developed CHP-based DG system model. The resultant integrated system model is used to constrain the DG's electrical

  4. Energy distribution of elastically scattered electrons from double layer samples

    NASA Astrophysics Data System (ADS)

    Tőkési, K.; Varga, D.

    2016-02-01

    We present a theoretical description of the spectra of electrons elastically scattered from thin double layered Au-C samples. The analysis is based on the Monte Carlo simulation of the recoil and Doppler effects in reflection and transmission geometries of the scattering at a fixed angle of 44.3 ° and a primary energy of 40 keV. The relativistic correction is taken into account. Besides the experimentally measurable energy distributions the simulations give many partial distributions separately, depending on the number of elastic scatterings (single, and multiple scatterings of different types). Furthermore, we present detailed analytical calculations for the main parameters of the single scattering, taking into account both the ideal scattering geometry, i.e. infinitesimally small angular range, and the effect of the real, finite angular range used in the measurements. We show our results for intensity ratios, peak shifts and broadenings for four cases of measurement geometries and layer thicknesses. While in the peak intensity ratios of gold and carbon for transmission geometries were found to be in good agreement with the results of the single scattering model, especially large deviations were obtained in reflection geometries. The separation of the peaks, depending on the geometry and the thickness, generally smaller, and the peak width generally larger than it can be expected from the nominal values of the primary energy, scattering angle, and mean kinetic energy of the atoms. We also show that the peaks are asymmetric even for the case of the single scattering due to the finite solid angle. Finally, we present a qualitative comparison with the experimental data. We find our resulting energy distribution of elastically scattered electrons to be in good agreement with recent measurements.

  5. Complementing the adsorption energies of CO2, H2S and NO2 to h-BN sheets by doping with carbon

    NASA Astrophysics Data System (ADS)

    Sagynbaeva, Myskal; Hussain, Tanveer; Panigrahi, Puspamitra; Johansson, Borje; Ahuja, Rajeev

    2015-03-01

    We predict the adsorption proficiency of hexagonal boron nitride (h-BN) sheets to toxic gas molecules like CO2, H2S and NO2 on the basis of first-principles density functional theory calculations. The computed energies predict the pristine h-BN sheet to have very little affinity towards the mentioned gas molecules. However, while doping C at the N site of the h-BN sheet brings a significant enhancement to the estimated adsorption energies, doping C at B site of the sheet is found to be energetically not so favorable. To have a higher coverage effect, the concentration of C doping on the h-BN sheet is further increased which resulted in upsurging the adsorption energies for the mentioned gas molecules. Among the three, CO2, H2S are found to be physisorbed to the C-doped h-BN sheets, where as the C-doped sheets are found to have strong affinity towards NO2 gas molecules.

  6. Ion and neutral energy distributions in multifrequency capacitive discharges

    NASA Astrophysics Data System (ADS)

    Wu, Alan Chung Fai

    In radio frequency capacitive discharges, ions are accelerated by the electric field in the sheath. During this acceleration, ions can collide with neutrals via charge exchange to create fast neutrals. The particles can then impact the wall with a distribution of energies and angles depending on the power source, gas constituents, pressure, and other reactor parameters. The distributions are important for materials processing, and therefore fast computation models to predict and control these are valuable. An ideal model consists of a series of simple computational steps that result in accurate ion energy, ion angle, neutral energy, and neutral angle distributions (IED, IAD, NED, and NAD, respectively) at the wall given the input parameters. In addition, it predicts the input driving signals needed to give particular distributions. This dissertation covers three parts of this ideal model, which are developed and validated using one dimensional particle-in-cell (PIC) simulations. The first topic deals with predicting the collisionless IED. This assumption is appropriate where the mean free path of the ions is large compared to the sheath width. The model gives the IED given the sheath voltage obtained from PIC simulations. The second topic deals with a synthesis process to estimate the input parameters needed for a uniform IED in a collisionless regime. A cumulative distribution function of the IED is used to determine the simplest ion response, which is then chosen as the driving voltage. Then the steps in the first topic are applied and compared to the results. The last topic deals with IED, IAD, NED, and NAD from PIC in a collisional regime. At higher pressures, the mean free path of the ions is not large compared to the sheath width. Therefore, the ions will collide with the background gas as they accelerate across the sheath. As a result, there will be fewer energetic ions. In addition, fast neutral particles created by charge exchange and elastic scattering

  7. Effect of the electron energy distribution on total energy loss with argon in inductively coupled plasmas

    SciTech Connect

    Kim, June Young; Kim, Young-Cheol; Kim, Yu-Sin; Chung, Chin-Wook

    2015-01-15

    The total energy lost per electron-ion pair lost ε{sub T} is investigated with the electron energy distribution function (EEDF). The EEDFs are measured at various argon powers in RF inductively coupled plasma, and the EEDFs show a depleted distribution (a discontinuity occurring at the minimum argon excitation threshold energy level) with the bulk temperature and the tail temperature. The total energy loss per electron-ion pair lost ε{sub T} is calculated from a power balance model with the Maxwellian EEDFs and the depleted EEDFs and then compared with the measured ε{sub T} from the floating probe. It is concluded that the small population of the depleted high energy electrons dramatically increases the collisional energy loss, and the calculated ε{sub T} from the depleted EEDFs has a value that is similar to the measured ε{sub T}.

  8. Integration of distributed energy resources. The CERTS Microgrid Concept

    SciTech Connect

    Lasseter, Robert; Akhil, Abbas; Marnay, Chris; Stephens, John; Dagle, Jeff; Guttromsom, Ross; Meliopoulous, A. Sakis; Yinger, Robert; Eto, Joe

    2002-04-01

    Evolutionary changes in the regulatory and operational climate of traditional electric utilities and the emergence of smaller generating systems such as microturbines have opened new opportunities for on-site power generation by electricity users. In this context, distributed energy resources (DER)--small power generators typically located at users' sites where the energy (both electric and thermal) they generate is used--have emerged as a promising option to meet growing customer needs for electric power with an emphasis on reliability and power quality. The portfolio of DER includes generators, energy storage, load control, and, for certain classes of systems, advanced power electronic interfaces between the generators and the bulk power provider. This white paper proposes that the significant potential of smaller DER to meet customers' and utilities' needs can be best captured by organizing these resources into MicroGrids.

  9. Controlling the Electron Energy Distribution Function Using an Anode

    NASA Astrophysics Data System (ADS)

    Baalrud, Scott D.; Barnat, Edward V.; Hopkins, Mathew M.

    2014-10-01

    Positively biased electrodes inserted into plasmas influence the electron energy distribution function (EEDF) by providing a sink for low energy electrons that would otherwise be trapped by ion sheaths at the chamber walls. We develop a model for the EEDF in a hot filament generated discharge in the presence of positively biased electrodes of various surface areas, and compare the model results with experimental Langmuir probe measurements and particle-in-cell simulations. In the absence of an anode, the EEDF is characterized by a cool trapped population at energies below the sheath energy, and a comparatively warm tail population associated with the filament primaries. Anodes that are small enough to collect a negligible fraction of the electrons exiting the plasma have little affect on the EEDF, but as the anode area approaches √{me /mi }Aw , where Aw is the chamber wall area, the anode collects most of the electrons leaving the plasma. This drastically reduces the density of the otherwise trapped population, causing an effective heating of the electrons and a corresponding density decrease. A global model is developed based on the EEDF model and current balance, which shows the interconnected nature of the electron temperature, density and the plasma potential. This work was supported by the Office of Fusion Energy Science at the U.S. Department of Energy under Contract DE-AC04-94SL85000, and by the University of Iowa Old Gold Program.

  10. Optimal Control of Distributed Energy Resources using Model Predictive Control

    SciTech Connect

    Mayhorn, Ebony T.; Kalsi, Karanjit; Elizondo, Marcelo A.; Zhang, Wei; Lu, Shuai; Samaan, Nader A.; Butler-Purry, Karen

    2012-07-22

    In an isolated power system (rural microgrid), Distributed Energy Resources (DERs) such as renewable energy resources (wind, solar), energy storage and demand response can be used to complement fossil fueled generators. The uncertainty and variability due to high penetration of wind makes reliable system operations and controls challenging. In this paper, an optimal control strategy is proposed to coordinate energy storage and diesel generators to maximize wind penetration while maintaining system economics and normal operation. The problem is formulated as a multi-objective optimization problem with the goals of minimizing fuel costs and changes in power output of diesel generators, minimizing costs associated with low battery life of energy storage and maintaining system frequency at the nominal operating value. Two control modes are considered for controlling the energy storage to compensate either net load variability or wind variability. Model predictive control (MPC) is used to solve the aforementioned problem and the performance is compared to an open-loop look-ahead dispatch problem. Simulation studies using high and low wind profiles, as well as, different MPC prediction horizons demonstrate the efficacy of the closed-loop MPC in compensating for uncertainties in wind and demand.

  11. Effects of Porous Polystyrene Resin Parameters on Candida antarctica Lipase B Adsorption, Distribution, and Polyester Synthesis Activity

    SciTech Connect

    Chen,B.; Miller, M.; Gross, R.

    2007-01-01

    Polystyrene resins with varied particle sizes (35 to 350-600 {mu}m) and pore diameters (300-1000 {angstrom}) were employed to study the effects of immobilization resin particle size and pore diameter on Candida antarctica Lipase B (CALB) loading, distribution within resins, fraction of active sites, and catalytic properties for polyester synthesis. CALB adsorbed rapidly (saturation time {<=}4 min) for particle sizes 120 {mu}m (pore size = 300 {angstrom}). Infrared microspectroscopy showed that CALB forms protein loading fronts regardless of resin particle size at similar enzyme loadings ({approx}8%). From the IR images, the fractions of total surface area available to the enzyme are 21, 33, 35, 37, and 88% for particle sizes 350-600, 120, 75, 35 {mu}m (pore size 300 {angstrom}), and 35 {mu}m (pore size 1000 {angstrom}), respectively. Titration with methyl p-nitrophenyl n-hexylphosphate (MNPHP) showed that the fraction of active CALB molecules adsorbed onto resins was {approx}60%. The fraction of active CALB molecules was invariable as a function of resin particle and pore size. At {approx}8% (w/w) CALB loading, by increasing the immobilization support pore diameter from 300 to 1000 {angstrom}, the turnover frequency (TOF) of {var_epsilon}-caprolactone ({var_epsilon}-CL) to polyester increased from 12.4 to 28.2 s{sup -1}. However, the {var_epsilon}-CL conversion rate was not influenced by changes in resin particle size. Similar trends were observed for condensation polymerizations between 1,8-octanediol and adipic acid. The results herein are compared to those obtained with a similar series of methyl methacrylate resins, where variations in particle size largely affected CALB distribution within resins and catalyst activity for polyester synthesis.

  12. Modeling of customer adoption of distributed energy resources

    SciTech Connect

    Marnay, Chris; Chard, Joseph S.; Hamachi, Kristina S.; Lipman, Timothy; Moezzi, Mithra M.; Ouaglal, Boubekeur; Siddiqui, Afzal S.

    2001-08-01

    This report describes work completed for the California Energy Commission (CEC) on the continued development and application of the Distributed Energy Resources Customer Adoption Model (DER-CAM). This work was performed at Ernest Orlando Lawrence Berkeley National Laboratory (Berkeley Lab) between July 2000 and June 2001 under the Consortium for Electric Reliability Technology Solutions (CERTS) Distributed Energy Resources Integration (DERI) project. Our research on distributed energy resources (DER) builds on the concept of the microgrid ({mu}Grid), a semiautonomous grouping of electricity-generating sources and end-use sinks that are placed and operated for the benefit of its members. Although a {mu}Grid can operate independent of the macrogrid (the utility power network), the {mu}Grid is usually interconnected, purchasing energy and ancillary services from the macrogrid. Groups of customers can be aggregated into {mu}Grids by pooling their electrical and other loads, and the most cost-effective combination of generation resources for a particular {mu}Grid can be found. In this study, DER-CAM, an economic model of customer DER adoption implemented in the General Algebraic Modeling System (GAMS) optimization software is used, to find the cost-minimizing combination of on-site generation customers (individual businesses and a {mu}Grid) in a specified test year. DER-CAM's objective is to minimize the cost of supplying electricity to a specific customer by optimizing the installation of distributed generation and the self-generation of part or all of its electricity. Currently, the model only considers electrical loads, but combined heat and power (CHP) analysis capability is being developed under the second year of CEC funding. The key accomplishments of this year's work were the acquisition of increasingly accurate data on DER technologies, including the development of methods for forecasting cost reductions for these technologies, and the creation of a credible

  13. A fundamental study of the impact of pressure on the adsorption mechanism in reversed-phase liquid chromatography.

    PubMed

    Åsberg, Dennis; Samuelsson, Jörgen; Fornstedt, Torgny

    2016-07-29

    A fundamental investigation of the pressure effect on individual adsorption sites was undertaken based on adsorption energy distribution and adsorption isotherm measurements. For this purpose, we measured adsorption equilibrium data at pressures ranging from 100 to 1000bar at constant flow and over a wide concentration range for three low-molecular-weight solutes, antipyrine, sodium 2-naphthalenesulfonate, and benzyltriethylammonium chloride, on an Eternity C18 stationary phase. The adsorption energy distribution was bimodal for all solutes, remaining clearly so at all pressures. The bi-Langmuir model best described the adsorption in these systems and two types of adsorption sites were identified, one with a low and another with a high energy of interaction. Evidence exists that the low-energy interactions occur at the interface between the mobile and stationary phases and that the high-energy interactions occur nearer the silica surface, deeper in the C18 layer. The contribution of each type of adsorption site to the retention factor was calculated and the change in solute molar volume from the mobile to stationary phase during the adsorption process was estimated for each type of site. The change in solute molar volume was 2-4 times larger at the high-energy site, likely because of the greater loss of solute solvation layer when penetrating deeper into the C18 layer. The association equilibrium constant increased with increasing pressure while the saturation capacity of the low-energy site remained almost unchanged. The observed increase in saturation capacity for the high-energy site did not affect the column loading capacity, which was almost identical at 50- and 950-bar pressure drops over the column.

  14. Energy and angular distributions of hyperthermal-energy Li{sup +} scattered from Cu(001)

    SciTech Connect

    Behringer, E.R.; McLean, J.G.; Cooper, B.H.

    1996-03-01

    We have measured the in-plane energy and angular distributions of scattered Li{sup +} ions that result when Li{sup +} ion beams with incident energies {ital E}{sub {ital i}}=100 and 400 eV impinge on Cu(001) with an incident angle {theta}{sub {ital i}}=65{degree} and along the {l_angle}100{r_angle} azimuth. By comparing the energy and angular distributions with those generated by classical trajectory simulations, we extract information about the ion-surface interaction potential. A model ion-surface potential consisting of a sum of Hartree-Fock pair potentials and an attractive term produces good agreement with the measured distributions at both incident energies, while the universal potential of Ziegler, Biersack, and Littmarck does so only for {ital E}{sub {ital i}} = 400 eV. Analysis of the simulated distributions enables us to correlate different types of scattering events with features of the measured distributions (e.g., rainbows) and so obtain a detailed understanding of the scattering of Li{sup +}, which is more complex than has been previously observed for heavier alkali ions (e.g., Na{sup +} and K{sup +}). We find that the energy loss of the Li{sup +} ions can be mostly accounted for by momentum transfer to the surface atoms and that inelastic losses are small but significant for this system at these incident energies. We also find that the thermal vibrations of the surface atoms have dramatic effects on the simulated energy and angular distributions. {copyright} {ital 1996 The American Physical Society.}

  15. Nuclear momentum distribution and potential energy surface in hexagonal ice

    NASA Astrophysics Data System (ADS)

    Lin, Lin; Morrone, Joseph; Car, Roberto; Parrinello, Michele

    2011-03-01

    The proton momentum distribution in ice Ih has been recently measured by deep inelastic neutron scattering and calculated from open path integral Car-Parrinello simulation. Here we report a detailed investigation of the relation between momentum distribution and potential energy surface based on both experiment and simulation results. The potential experienced by the proton is largely harmonic and characterized by 3 principal frequencies, which can be associated to weighted averages of phonon frequencies via lattice dynamics calculations. This approach also allows us to examine the importance of quantum effects on the dynamics of the oxygen nuclei close to the melting temperature. Finally we quantify the anharmonicity that is present in the potential acting on the protons. This work is supported by NSF and by DOE.

  16. Benzene adsorption on Ir{100} studied by low-energy electron diffraction I-V analysis: Evidence for formation of tilted benzyne

    NASA Astrophysics Data System (ADS)

    Johnson, K.; Sauerhammer, B.; Titmuss, S.; King, D. A.

    2001-06-01

    In order to increase understanding of the structure and bonding of aromatic molecules and their fragments on transition metal surfaces, a low-energy electron diffraction (LEED) study of benzene adsorption on Ir{100} has been carried out. Following benzene adsorption at 465 K, a c(2×4) LEED pattern is observed. Its formation is accompanied by the loss of two hydrogen atoms as H2, indicating that benzyne (C6H4) is formed. This is the first time an ordered overlayer of benzyne has been observed on a transition metal surface. It makes the structure accessible to LEED I-V analysis, providing the most reliable structural information for benzyne adsorbed on a transition metal surface to date. The benzyne species was found to be di-σ bonded to the bridge site with a 47° tilt angle to the surface normal.

  17. Effective coordination as a predictor of adsorption energies: A model study of NO on Rh(100) and Rh/MgO(100) surfaces

    SciTech Connect

    Pushpa, Raghani; Gironcoli, Stefano de; Narasimhan, Shobhana

    2009-04-15

    We have studied the adsorption of NO, and the coadsorption of N and O, on four physical and hypothetical systems: unstrained and strained Rh(100) surfaces and monolayers of Rh atoms on strained and unstrained MgO(100) surfaces. We find that as we go from Rh(100) to Rh/Mg0(100), via the other two hypothetical systems, the effective coordination progressively decreases, the d band narrows and its center shifts closer to the Fermi level, and the strength of adsorption and coadsorption increases. Both the strain and the presence of the oxide substrate contribute significantly to this. However, charge transfer is found to play a negligible role due to a canceling out between donation and back-donation processes. Our results suggest that lowering the effective coordination of Rh catalysts by strain, roughening, or the use of inert substrates might lower activation energies for the dissociation of NO.

  18. Patterns of inequality: Dynamics of income distribution in USA and global energy consumption distribution

    NASA Astrophysics Data System (ADS)

    Banerjee, Anand; Yakovenko, Victor

    2010-03-01

    Applying the principle of entropy maximization, we argued that the distribution of money in a closed economic system should be exponential [1], see also recent review [2]. In this talk, we show that income distribution in USA is exponential for the majority of population (about 97%). However, the high-income tail follows a power law and is highly dynamical, i.e., out of equilibrium. The fraction of income going to the tail swelled to 20% of all income in 2000 and 2006 at the peaks of speculative bubbles followed by spectacular crashes. Next, we analyze the global distribution of energy consumption per capita among different countries. In the first approximation, it is reasonably well captured by the exponential function. Comparing the data for 1990 and 2005, we observe that the distribution is getting closer to the exponential, presumably as a result of globalization of the world economy.[4pt] [1] A. A. Dragulescu and V. M. Yakovenko, Eur. Phys. J. B 17, 723 (2000). [2] V. M. Yakovenko and J. B. Rosser, to appear in Rev. Mod. Phys. (2009), arXiv:0905.1518.

  19. Extraction of electron plasma energy distribution function using distortion meters

    NASA Astrophysics Data System (ADS)

    Azooz, A. A.

    2006-06-01

    A new method for direct evaluation of the electron energy distribution function in plasmas is suggested, which involves the use of audio frequencies distortion factor meters. The amount of distortion suffered by a Langmuir probe AC current produced by superimposing a clean AC voltage on the DC probe voltage is measured. Although such distortions are proportional to the second derivative of the probe characteristic at any point when its neighborhood can be approximated by a second-degree polynomial, the instrument function is always sharper than that of harmonic differentiation. The method is analyzed theoretically, and tested experimentally. It is also shown that distortion additionally provides a direct measure of the electron temperature.

  20. Terahertz absorption spectra and potential energy distribution of liquid crystals.

    PubMed

    Chen, Zezhang; Jiang, Yurong; Jiang, Lulu; Ma, Heng

    2016-01-15

    In this work, the terahertz (THz) absorption spectra of a set of nematic liquid crystals were studied using the density functional theories (DFT). An accurate assignment of the vibrational modes corresponding to absorption frequencies were performed using potential energy distribution (PED) in a frequency range of 0-3 THz. The impacts of different core structures on THz absorption spectra were discussed. The results indicate that scope of application must be considered in the LC-based THz device designing. This proposed work may give a useful suggestion on the design of novel liquid crystal material in THz wave. PMID:26476072

  1. Adoption and supply of a distributed energy technology

    NASA Astrophysics Data System (ADS)

    Strachan, Neil Douglas

    2000-12-01

    Technical and economic developments in distributed generation (DG) represent an opportunity for a radically different energy market paradigm, and potentially significant cuts in global carbon emissions. This thesis investigates DG along two interrelated themes: (1) Early adoption and supply of the DG technology of internal combustion (IC) engine cogeneration. (2) Private and social cost implications of DG for private investors and within an energy system. IC engine cogeneration of both power and heat has been a remarkable success in the Netherlands with over 5,000 installations and 1,500MWe of installed capacity by 1997. However, the technology has struggled in the UK with an installed capacity of 110Mwe, fulfilling only 10% of its large estimated potential. An investment simulation model of DG investments in the UK and Netherlands was used, together with analysis of site level data on all DG adoptions from 1985 through 1997. In the UK over 60% of the early installations were sized too small (<140kWe) to be economically attractive (suppliers made their money with maintenance contracts). In the Netherlands, most facilities were sized well above the economic size threshold of 100kWe (lower due to reduced operating and grid connection costs). Institutional players were key in improved sizing of DG. Aided by energy market and CO2 reduction regulatory policy, Dutch distributions utilities played a proactive role in DG. This involved joint ventures with engine cogen suppliers and users, offering improved electricity buy-back tariffs and lower connection costs. This has allowed flexible operation of distributed generation, especially in electricity sales to the grid. Larger units can be sized for on-site heat requirements with electricity export providing revenue and aiding in management of energy networks. A comparison of internal and external costs of three distributed and three centralized generation technologies over a range of heat to power ratios (HPR) was made

  2. On Energy Trading Decision Methods in Distributed Energy Management Systems with Multiple Customers

    NASA Astrophysics Data System (ADS)

    Miyamoto, Toshiyuki; Sugimoto, Yohei; Mori, Kazuyuki; Kitamura, Shoichi; Yamamoto, Takaya

    This paper addresses an operation and energy purchase planning problem under the CO2 emissions regulation for corporate entities. Considering energy trading, more efficient energy consumption may be possible. We have studied an agent-based planning system, called Distributed Energy Management Systems (DEMSs), which intends to reduce energy consumption. In the DEMSs, CO2 emissions regulation is imposed on each corporate entity, and electrical and thermal energy trading among the entities are allowed. We have proposed an energy trading decision method based on the Market Oriented Programming (MOP). In this paper, we propose trading decision methods for the group composed of several customers and several suppliers. Experimental results show effectiveness of the proposed method.

  3. Calculating fusion neutron energy spectra from arbitrary reactant distributions

    NASA Astrophysics Data System (ADS)

    Eriksson, J.; Conroy, S.; Andersson Sundén, E.; Hellesen, C.

    2016-02-01

    The Directional Relativistic Spectrum Simulator (DRESS) code can perform Monte-Carlo calculations of reaction product spectra from arbitrary reactant distributions, using fully relativistic kinematics. The code is set up to calculate energy spectra from neutrons and alpha particles produced in the D(d, n)3He and T(d, n)4He fusion reactions, but any two-body reaction can be simulated by including the corresponding cross section. The code has been thoroughly tested. The kinematics calculations have been benchmarked against the kinematics module of the ROOT Data Analysis Framework. Calculated neutron energy spectra have been validated against tabulated fusion reactivities and against an exact analytical expression for the thermonuclear fusion neutron spectrum, with good agreement. The DRESS code will be used as the core of a detailed synthetic diagnostic framework for neutron measurements at the JET and MAST tokamaks.

  4. Long-distance distribution of genuine energy-time entanglement

    PubMed Central

    Cuevas, A.; Carvacho, G.; Saavedra, G.; Cariñe, J.; Nogueira, W.A.T.; Figueroa, M.; Cabello, A.; Mataloni, P.; Lima, G.; Xavier, G.B.

    2013-01-01

    Any practical realization of entanglement-based quantum communication must be intrinsically secure and able to span long distances avoiding the need of a straight line between the communicating parties. The violation of Bell’s inequality offers a method for the certification of quantum links without knowing the inner workings of the devices. Energy-time entanglement quantum communication satisfies all these requirements. However, currently there is a fundamental obstacle with the standard configuration adopted: an intrinsic geometrical loophole that can be exploited to break the security of the communication, in addition to other loopholes. Here we show the first experimental Bell violation with energy-time entanglement distributed over 1 km of optical fibres that is free of this geometrical loophole. This is achieved by adopting a new experimental design, and by using an actively stabilized fibre-based long interferometer. Our results represent an important step towards long-distance secure quantum communication in optical fibres. PMID:24287678

  5. Broad band spectral energy distribution studies of Fermi bright blazars

    NASA Astrophysics Data System (ADS)

    Monte, C.; Giommi, P.; Cavazzuti, E.; Gasparrini, D.; Rainò, S.; Fuhrmann, L.; Angelakis, E.; Villata, M.; Raiteri, C. M.; Perri, M.; Richards, J.

    2011-02-01

    The Fermi Gamma-ray Space Telescope was successfully launched on June 11, 2008 and has already opened a new era for gamma-ray astronomy. The Large Area Telescope (LAT), the main instrument on board Fermi, presents a significant improvement in sensitivity over its predecessor EGRET, due to its large field of view and effective area, combined with its excellent timing capabilities. The preliminary results of the Spectral Energy Distribution Analysis performed on a sample of bright blazars are presented. For this study, the data from the first three months of data collection of Fermi have been used. The analysis is extended down to radio, mm, near-IR, optical, UV and X-ray bands and up to TeV energies based on unprecedented sample of simultaneous multi-wavelength observations by GASP-WEBT.

  6. Long-distance distribution of genuine energy-time entanglement.

    PubMed

    Cuevas, A; Carvacho, G; Saavedra, G; Cariñe, J; Nogueira, W A T; Figueroa, M; Cabello, A; Mataloni, P; Lima, G; Xavier, G B

    2013-01-01

    Any practical realization of entanglement-based quantum communication must be intrinsically secure and able to span long distances avoiding the need of a straight line between the communicating parties. The violation of Bell's inequality offers a method for the certification of quantum links without knowing the inner workings of the devices. Energy-time entanglement quantum communication satisfies all these requirements. However, currently there is a fundamental obstacle with the standard configuration adopted: an intrinsic geometrical loophole that can be exploited to break the security of the communication, in addition to other loopholes. Here we show the first experimental Bell violation with energy-time entanglement distributed over 1 km of optical fibres that is free of this geometrical loophole. This is achieved by adopting a new experimental design, and by using an actively stabilized fibre-based long interferometer. Our results represent an important step towards long-distance secure quantum communication in optical fibres.

  7. Energy distribution of proton microbeam transmitted through two flat plates

    NASA Astrophysics Data System (ADS)

    Nagy, G. U. L.; Rajta, I.; Bereczky, R. J.; Tőkési, K.

    2015-07-01

    The transmission of 1 MeV proton microbeam passing between two parallel flat plates was investigated. Three different materials were used in our experiments. As insulators we used Polytetrafluoroethylene and borosilicate glass plates and glass with gold layer on the surface as conductor. The surface of the plates was parallel to the beam axis and one of the plates was moved towards the beam. The energy distribution and the deflection of the transmitted beam were measured as the function of the sample distance relative to the beam. We found systematic differences between the behaviour of the metallic and insulator samples. The proton microbeam suffered significant deflection towards the sample surface due to the image acceleration when using conductor material. In case of the glass and Polytetrafluoroethylene plates the beam was deflected into the opposite direction, and the incident protons did not suffer significant energy loss, which is the consequence of the guiding effect.

  8. Advanced Communication and Control Solutions of Distributed Energy Resources (DER)

    SciTech Connect

    Asgeirsson, Haukur; Seguin, Richard; Sherding, Cameron; de Bruet, Andre, G.; Broadwater, Robert; Dilek, Murat

    2007-01-10

    This report covers work performed in Phase II of a two phase project whose objective was to demonstrate the aggregation of multiple Distributed Energy Resources (DERs) and to offer them into the energy market. The Phase I work (DE-FC36-03CH11161) created an integrated, but distributed, system and procedures to monitor and control multiple DERs from numerous manufacturers connected to the electric distribution system. Procedures were created which protect the distribution network and personnel that may be working on the network. Using the web as the communication medium for control and monitoring of the DERs, the integration of information and security was accomplished through the use of industry standard protocols such as secure SSL,VPN and ICCP. The primary objective of Phase II was to develop the procedures for marketing the power of the Phase I aggregated DERs in the energy market, increase the number of DER units, and implement the marketing procedures (interface with ISOs) for the DER generated power. The team partnered with the Midwest Independent System Operator (MISO), the local ISO, to address the energy market and demonstrate the economic dispatch of DERs in response to market signals. The selection of standards-based communication technologies offers the ability of the system to be deployed and integrated with other utilities’ resources. With the use of a data historian technology to facilitate the aggregation, the developed algorithms and procedures can be verified, audited, and modified. The team has demonstrated monitoring and control of multiple DERs as outlined in phase I report including procedures to perform these operations in a secure and safe manner. In Phase II, additional DER units were added. We also expanded on our phase I work to enhance communication security and to develop the market model of having DERs, both customer and utility owned, participate in the energy market. We are proposing a two-part DER energy market model--a utility

  9. Role for Distributed Energy Resources (DER) in the Digital Economy

    SciTech Connect

    Key, Thomas S

    2007-11-01

    A large, and growing, part of the Nation's economy either serves or depends upon the information technology industry. These high-tech or "digital" enterprises are characterized by a dependence on electronic devices, need for completely reliable power supply, and intolerance to any power quality problems. In some cases these enterprises are densely populated with electronic loads and have very high energy usage per square foot. Serving these enterprises presents both electric power and equipment cooling challenges. Traditional electric utilities are often hard-pressed to deliver power that meets the stringent requirements of digital customers, and the economic and social consequences of a service quality or reliability problem can be large. New energy delivery and control options must be developed to effectively serve a digital economy. This report explores how distributed energy resources, partnerships between utility and customer to share the responsibility for service quality, innovative facility designs, higher energy efficiencies and waste-heat utilization can be coupled to meet the needs of a growing digital economy.

  10. Aqueous mercury adsorption by activated carbons.

    PubMed

    Hadi, Pejman; To, Ming-Ho; Hui, Chi-Wai; Lin, Carol Sze Ki; McKay, Gordon

    2015-04-15

    Due to serious public health threats resulting from mercury pollution and its rapid distribution in our food chain through the contamination of water bodies, stringent regulations have been enacted on mercury-laden wastewater discharge. Activated carbons have been widely used in the removal of mercuric ions from aqueous effluents. The surface and textural characteristics of activated carbons are the two decisive factors in their efficiency in mercury removal from wastewater. Herein, the structural properties and binding affinity of mercuric ions from effluents have been presented. Also, specific attention has been directed to the effect of sulfur-containing functional moieties on enhancing the mercury adsorption. It has been demonstrated that surface area, pore size, pore size distribution and surface functional groups should collectively be taken into consideration in designing the optimal mercury removal process. Moreover, the mercury adsorption mechanism has been addressed using equilibrium adsorption isotherm, thermodynamic and kinetic studies. Further recommendations have been proposed with the aim of increasing the mercury removal efficiency using carbon activation processes with lower energy input, while achieving similar or even higher efficiencies.

  11. Global versus local adsorption selectivity

    NASA Astrophysics Data System (ADS)

    Pauzat, Françoise; Marloie, Gael; Markovits, Alexis; Ellinger, Yves

    2015-10-01

    The origin of the enantiomeric excess found in the amino acids present in the organic matter of carbonaceous meteorites is still unclear. Selective adsorption of one of the two enantiomers existing after a racemic formation could be part of the answer. Hereafter we report a comparative study of the adsorption of the R and S enantiomers of α-alanine and lactic acid on the hydroxylated { } chiral surface of α-quartz using numerical simulation techniques. Structurally different adsorption sites were found with opposite R versus S selectivity for the same molecule-surface couple, raising the problem of whether to consider adsorption as a local property or as a global response characteristic of the whole surface. To deal with the second term of this alternative, a statistical approach was designed, based on the occurrence of each adsorption site whose energy was calculated using first principle periodic density functional theory. It was found that R-alanine and S-lactic acid are the enantiomers preferentially adsorbed, even if the adsorption process on the quartz { } surface stays with a disappointingly poor enantio-selectivity. Nevertheless, it highlighted the important point that considering adsorption as a global property changes perspectives in the search for more efficient enantio-selective supports and more generally changes the way to apprehend adsorption processes in astro-chemistry/biology.

  12. Protein Adsorption in Three Dimensions

    PubMed Central

    Vogler, Erwin A.

    2011-01-01

    Recent experimental and theoretical work clarifying the physical chemistry of blood-protein adsorption from aqueous-buffer solution to various kinds of surfaces is reviewed and interpreted within the context of biomaterial applications, especially toward development of cardiovascular biomaterials. The importance of this subject in biomaterials surface science is emphasized by reducing the “protein-adsorption problem” to three core questions that require quantitative answer. An overview of the protein-adsorption literature identifies some of the sources of inconsistency among many investigators participating in more than five decades of focused research. A tutorial on the fundamental biophysical chemistry of protein adsorption sets the stage for a detailed discussion of the kinetics and thermodynamics of protein adsorption, including adsorption competition between two proteins for the same adsorbent immersed in a binary-protein mixture. Both kinetics and steady-state adsorption can be rationalized using a single interpretive paradigm asserting that protein molecules partition from solution into a three-dimensional (3D) interphase separating bulk solution from the physical-adsorbent surface. Adsorbed protein collects in one-or-more adsorbed layers, depending on protein size, solution concentration, and adsorbent surface energy (water wettability). The adsorption process begins with the hydration of an adsorbent surface brought into contact with an aqueous-protein solution. Surface hydration reactions instantaneously form a thin, pseudo-2D interface between the adsorbent and protein solution. Protein molecules rapidly diffuse into this newly-formed interface, creating a truly 3D interphase that inflates with arriving proteins and fills to capacity within milliseconds at mg/mL bulk-solution concentrations CB. This inflated interphase subsequently undergoes time-dependent (minutes-to-hours) decrease in volume VI by expulsion of either-or-both interphase water and

  13. Aged nano-structured platinum based catalyst: effect of chemical treatment on adsorption and catalytic activity.

    PubMed

    Shim, Wang Geun; Nahm, Seung Won; Park, Hyuk Ryeol; Yun, Hyung Sun; Seo, Seong Gyu; Kim, Sang Chai

    2011-02-01

    To examine the effect of chemical treatment on the adsorption and catalytic activity of nanostructured platinum based catalyst, the aged commercial Pt/AC catalyst was pretreated with sulfuric acid (H2SO4) and a cleaning agent (Hexane). Several reliable methods such as nitrogen adsorption, X-ray powder diffraction (XRD), scanning electron microscopy (SEM) and inductively coupled plasma (ICP) were employed to characterize the aged Pt/AC catalyst and its chemically pretreated Pt/AC catalysts. The catalytic and adsorption activities of nano-structured heterogeneous Pt/AC catalyst were investigated on the basis of toluene oxidation and adsorption isotherm data. In addition, the adsorption isotherms of toluene were used to calculate the adsorption energy distribution functions for the parent catalyst and its pre-treated nano-structured Pt/AC catalysts. It was found that sulfuric acid aqueous treatment can enhance the catalytic performance of aged Pt/AC catalyst toward catalytic oxidation of toluene. It was also shown that a comparative analysis of the energy distribution functions for nano-structured Pt/AC catalysts as well as the pore size distribution provides valuable information about their structural and energetic heterogeneity.

  14. Low energy ion distribution measurements in Madison Symmetric Torus plasmas

    NASA Astrophysics Data System (ADS)

    Titus, J. B.; Mezonlin, E. D.; Johnson, J. A.

    2014-06-01

    Charge-exchange neutrals contain information about the contents of a plasma and can be detected as they escape confinement. The Florida A&M University compact neutral particle analyzer (CNPA), used to measure the contents of neutral particle flux, has been reconfigured, calibrated, and installed on the Madison Symmetric Torus (MST) for high temperature deuterium plasmas. The energy range of the CNPA has been extended to cover 0.34-5.2 keV through an upgrade of the 25 detection channels. The CNPA has been used on all types of MST plasmas at a rate of 20 kHz throughout the entire discharge (˜70 ms). Plasma parameter scans show that the ion distribution is most dependent on the plasma current. Magnetic reconnection events throughout these scans produce stronger poloidal electric fields, stronger global magnetic modes, and larger changes in magnetic energy all of which heavily influence the non-Maxwellian part of the ion distribution (the fast ion tail).

  15. Low energy ion distribution measurements in Madison Symmetric Torus plasmas

    SciTech Connect

    Titus, J. B. Mezonlin, E. D.; Johnson, J. A.

    2014-06-15

    Charge-exchange neutrals contain information about the contents of a plasma and can be detected as they escape confinement. The Florida A and M University compact neutral particle analyzer (CNPA), used to measure the contents of neutral particle flux, has been reconfigured, calibrated, and installed on the Madison Symmetric Torus (MST) for high temperature deuterium plasmas. The energy range of the CNPA has been extended to cover 0.34–5.2 keV through an upgrade of the 25 detection channels. The CNPA has been used on all types of MST plasmas at a rate of 20 kHz throughout the entire discharge (∼70 ms). Plasma parameter scans show that the ion distribution is most dependent on the plasma current. Magnetic reconnection events throughout these scans produce stronger poloidal electric fields, stronger global magnetic modes, and larger changes in magnetic energy all of which heavily influence the non-Maxwellian part of the ion distribution (the fast ion tail)

  16. Laboratory study on the adsorption of Mn(2+) on suspended and deposited amorphous Al(OH)(3) in drinking water distribution systems.

    PubMed

    Wang, Wendong; Zhang, Xiaoni; Wang, Hongping; Wang, Xiaochang; Zhou, Lichuan; Liu, Rui; Liang, Yuting

    2012-09-01

    Manganese (II) is commonly present in drinking water. This paper mainly focuses on the adsorption of manganese on suspended and deposited amorphous Al(OH)(3) solids. The effects of water flow rate and water quality parameters, including solution pH and the concentrations of Mn(2+), humic acid, and co-existing cations on adsorption were investigated. It was found that chemical adsorption mainly took place in drinking water with pHs above 7.5; suspended Al(OH)(3) showed strong adsorption capacity for Mn(2+). When the total Mn(2+) input was 3 mg/L, 1.0 g solid could accumulate approximately 24.0 mg of Mn(2+) at 15 °C. In drinking water with pHs below 7.5, because of H(+) inhibition, active reaction sites on amorphous Al(OH)(3) surface were much less. The adsorption of Mn(2+) on Al(OH)(3) changed gradually from chemical coordination to physical adsorption. In drinking water with high concentrations of Ca(2+), Mg(2+), Fe(3+), and HA, the removal of Mn(2+) was enhanced due to the effects of co-precipitation and adsorption. In solution with 1.0 mg/L HA, the residual concentration of Mn(2+) was below 0.005 mg/L, much lower than the limit value required by the Chinese Standard for Drinking Water Quality. Unlike suspended Al(OH)(3), deposited Al(OH)(3) had a much lower adsorption capacity of 0.85 mg/g, and the variation in flow rate and major water quality parameters had little effect on it. Improved managements of water age, pipe flushing and mechanical cleaning were suggested to control residual Mn(2+).

  17. Product energy distributions and energy partitioning in O atom reactions on surfaces

    NASA Technical Reports Server (NTRS)

    Halpern, Bret; Kori, Moris

    1987-01-01

    Surface reactions involving O atoms are likely to be highly exoergic, with different consequences if energy is channeled mostly to product molecules or surface modes. Thus the surface may become a source of excited species which can react elsewhere, or a sink for localized heat deposition which may disrupt the surface. The vibrational energy distribution of the product molecule contains strong clues about the flow of released energy. Two instructive examples of energy partitioning at surfaces are the Pt catalyzed oxidations: (1) C(ads) + O(ads) yields CO* (T is greater than 1000 K); and (2) CO(ads) + O(gas) yields CO2* (T is approx. 300 K). The infrared emission spectra of the excited product molecules were recorded and the vibrational population distributions were determined. In reaction 1, energy appeared to be statistically partitioned between the product CO and several Pt atoms. In reaction 2, partitioning was non-statistical; the CO2 asymmetric stretch distribution was inverted. In gas reactions these results would indicate a long lived and short lived activated complex. The requirement that Pt be heated in O atoms to promote reaction of atomic O and CO at room temperature is specifically addressed. Finally, the fraction of released energy that is deposited in the catalyst is estimated.

  18. Thermodynamic and kinetic behaviors of trinitrotoluene adsorption on powdered activated carbons

    SciTech Connect

    Lee, J.W.; Hwang, K.J.; Shim, W.G.; Moon, I.S.

    2006-07-01

    Regulations on the removal of trinitrotoluene (TNT) from wastewater have become increasingly more stringent, demanding faster, less expensive, and more efficient treatment. This study focuses on the adsorption equilibrium and kinetics of TNT on powered activated carbons (PAC). Three types of PACs (i.e., wood based, coal based, and coconut-shell based) were studied as functions of temperature and pH. Thermodynamic properties including Gibbs free energy, enthalpy, and entropy, were evaluated by applying the Van't Hoff equation. In addition, the adsorption energy distribution functions which describe heterogeneous characteristics of porous solid sorbents were calculated by using the generalized nonlinear regularization method. Adsorption kinetic studies were carried out in batch adsorber under important conditions such as PAC types, temperature, pH, and concentration. We found that fast and efficient removal of TNT dissolved in water can be successfully achieved by PAC adsorption.

  19. From single molecules to water networks: Dynamics of water adsorption on Pt(111).

    PubMed

    Naderian, Maryam; Groß, Axel

    2016-09-01

    The adsorption dynamics of water on Pt(111) was studied using ab initio molecular dynamics simulations based on density functional theory calculations including dispersion corrections. Sticking probabilities were derived as a function of initial kinetic energy and water coverage. In addition, the energy distribution upon adsorption was monitored in order to analyze the energy dissipation process. We find that on the water pre-covered surface the sticking probability is enhanced because of the attractive water-water interaction and the additional effective energy dissipation channels to the adsorbed water molecules. The water structures forming directly after the adsorption on the pre-covered surfaces do not necessarily correspond to energy minimum structures. PMID:27609006

  20. Method of local increments for the calculation of adsorption energies of atoms and small molecules on solid surfaces. 2. CO/MgO(001).

    PubMed

    Staemmler, Volker

    2011-06-30

    The method of local increments is used in connection with an embedded cluster approach and wave function based quantum chemical ab initio methods to describe the adsorption of a single CO molecule on the MgO(001) surface. The first step in this approach is a conventional Hartree-Fock calculation. The occupied orbitals are then localized by means of the Foster-Boys localization procedure, and the full system is decomposed into several "subunits" that consist of the orbitals localized at the CO molecule and at the Mg and O atoms of the MgO cluster. The correlation energy is expanded into a series of local n-body increments that are evaluated separately and independently. In this way, big savings in computer time can be achieved because (a) the treatment of a large system is replaced with a series of much faster calculations for small subsystems and (b) the big basis sets necessary for describing dispersion effects are only needed for the atoms in the respective subsystem while all other atoms can be treated by medium size Hartree-Fock type basis sets. The coupled electron pair approach, CEPA, an approximate coupled cluster method, is used to calculate the correlation energies of the various subsystems. For the vertical adsorption of CO on top a Mg atom of the MgO(001) surface with the C atom toward Mg, the individual one- and two-body increments are calculated as functions of the CO-MgO separation and a full potential energy curve is constructed from them. A very shallow minimum with an adsorption energy of 0.016 eV at a Mg-C distance of 3.04 Å is found at the Hartree-Fock level, while inclusion of correlation (dispersion) effects shortens the Mg-C distance to 2.59 Å and yields a much larger adsorption energy of 0.124 eV. This is in very good agreement with the best experimental value of 0.14 eV. The basis set superposition error, BSSE, was fully corrected for by the counterpoise method and the bonding mechanism was analyzed at the Hartree-Fock level by means of

  1. Method of local increments for the calculation of adsorption energies of atoms and small molecules on solid surfaces. 2. CO/MgO(001).

    PubMed

    Staemmler, Volker

    2011-06-30

    The method of local increments is used in connection with an embedded cluster approach and wave function based quantum chemical ab initio methods to describe the adsorption of a single CO molecule on the MgO(001) surface. The first step in this approach is a conventional Hartree-Fock calculation. The occupied orbitals are then localized by means of the Foster-Boys localization procedure, and the full system is decomposed into several "subunits" that consist of the orbitals localized at the CO molecule and at the Mg and O atoms of the MgO cluster. The correlation energy is expanded into a series of local n-body increments that are evaluated separately and independently. In this way, big savings in computer time can be achieved because (a) the treatment of a large system is replaced with a series of much faster calculations for small subsystems and (b) the big basis sets necessary for describing dispersion effects are only needed for the atoms in the respective subsystem while all other atoms can be treated by medium size Hartree-Fock type basis sets. The coupled electron pair approach, CEPA, an approximate coupled cluster method, is used to calculate the correlation energies of the various subsystems. For the vertical adsorption of CO on top a Mg atom of the MgO(001) surface with the C atom toward Mg, the individual one- and two-body increments are calculated as functions of the CO-MgO separation and a full potential energy curve is constructed from them. A very shallow minimum with an adsorption energy of 0.016 eV at a Mg-C distance of 3.04 Å is found at the Hartree-Fock level, while inclusion of correlation (dispersion) effects shortens the Mg-C distance to 2.59 Å and yields a much larger adsorption energy of 0.124 eV. This is in very good agreement with the best experimental value of 0.14 eV. The basis set superposition error, BSSE, was fully corrected for by the counterpoise method and the bonding mechanism was analyzed at the Hartree-Fock level by means of

  2. 77 FR 10997 - Energy Conservation Program: Energy Conservation Standards for Distribution Transformers; Correction

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-02-24

    ... distribution transformers (72 FR 58190). The Energy Policy Act of 2005 (EPACT 2005), Public Law 109-25, amended... transformers (77 FR 7282). Need for Correction As published, values in certain tables of the proposed rule are... February 10 NOPR. Corrections In proposed rule FR Doc. 2012-2642 appearing on page 7282 in the issue...

  3. Adsorption of Rh(III) complexes from chloride solutions obtained by leaching chlorinated spent automotive catalysts on ion-exchange resin Diaion WA21J.

    PubMed

    Shen, Shaobo; Pan, Tonglin; Liu, Xinqiang; Yuan, Lei; Wang, Jinchao; Zhang, Yongjian; Guo, Zhanchen

    2010-07-15

    It was found that Rh, Pd and Pt contained in the spent ceramic automotive catalysts could be effectively extracted by dry chlorination with chlorine. In order to concentrate Rh(III) ions contained in the chloride solutions obtained, thermodynamic and kinetics studies for adsorption of Rh(III) complexes from the chloride solutions on an anionic exchange resin Diaion WA21J were carried out. Rh, Pd, Pt, Al, Fe, Si, Zn and Pb from the chloride solution could be adsorbed on the resin. The distribution coefficients (K(d)) of Rh(III) decreased with the increase in initial Rh(III) concentration or in adsorption temperature. The isothermal adsorption of Rh(III) was found to fit Langmuir, Freundlich and Dubinin-Kaganer-Radushkevich models under the adsorption conditions. The maximum monolayer adsorption capacities Q(max) based on Langmuir adsorption isotherms were 6.39, 6.61 and 5.81 mg/g for temperatures 18, 28 and 40 degrees C, respectively. The apparent adsorption energy of Rh was about -7.6 kJ/mol and thus Rh(III) adsorption was a physical type. The experimental data obtained could be better simulated by pseudo-first-order kinetic model and the activation energy obtained was 6.54 J/mol. The adsorption rate of Rh(III) was controlled by intraparticle diffusion in most of time of adsorption process.

  4. Adsorption of Rh(III) complexes from chloride solutions obtained by leaching chlorinated spent automotive catalysts on ion-exchange resin Diaion WA21J.

    PubMed

    Shen, Shaobo; Pan, Tonglin; Liu, Xinqiang; Yuan, Lei; Wang, Jinchao; Zhang, Yongjian; Guo, Zhanchen

    2010-07-15

    It was found that Rh, Pd and Pt contained in the spent ceramic automotive catalysts could be effectively extracted by dry chlorination with chlorine. In order to concentrate Rh(III) ions contained in the chloride solutions obtained, thermodynamic and kinetics studies for adsorption of Rh(III) complexes from the chloride solutions on an anionic exchange resin Diaion WA21J were carried out. Rh, Pd, Pt, Al, Fe, Si, Zn and Pb from the chloride solution could be adsorbed on the resin. The distribution coefficients (K(d)) of Rh(III) decreased with the increase in initial Rh(III) concentration or in adsorption temperature. The isothermal adsorption of Rh(III) was found to fit Langmuir, Freundlich and Dubinin-Kaganer-Radushkevich models under the adsorption conditions. The maximum monolayer adsorption capacities Q(max) based on Langmuir adsorption isotherms were 6.39, 6.61 and 5.81 mg/g for temperatures 18, 28 and 40 degrees C, respectively. The apparent adsorption energy of Rh was about -7.6 kJ/mol and thus Rh(III) adsorption was a physical type. The experimental data obtained could be better simulated by pseudo-first-order kinetic model and the activation energy obtained was 6.54 J/mol. The adsorption rate of Rh(III) was controlled by intraparticle diffusion in most of time of adsorption process. PMID:20346581

  5. Development of facile property calculation model for adsorption chillers based on equilibrium adsorption cycle

    NASA Astrophysics Data System (ADS)

    Yano, Masato; Hirose, Kenji; Yoshikawa, Minoru; Thermal management technology Team

    Facile property calculation model for adsorption chillers was developed based on equilibrium adsorption cycles. Adsorption chillers are one of promising systems that can use heat energy efficiently because adsorption chillers can generate cooling energy using relatively low temperature heat energy. Properties of adsorption chillers are determined by heat source temperatures, adsorption/desorption properties of adsorbent, and kinetics such as heat transfer rate and adsorption/desorption rate etc. In our model, dependence of adsorption chiller properties on heat source temperatures was represented using approximated equilibrium adsorption cycles instead of solving conventional time-dependent differential equations for temperature changes. In addition to equilibrium cycle calculations, we calculated time constants for temperature changes as functions of heat source temperatures, which represent differences between equilibrium cycles and real cycles that stemmed from kinetic adsorption processes. We found that the present approximated equilibrium model could calculate properties of adsorption chillers (driving energies, cooling energies, and COP etc.) under various driving conditions quickly and accurately within average errors of 6% compared to experimental data.

  6. Interacting Electrons in Parabolic Quantum Dots:. Energy Levels, Addition Energies, and Charge Distributions

    NASA Astrophysics Data System (ADS)

    Schreiber, Michael; Siewert, Jens; Vojta, Thomas

    We investigate the properties of interacting electrons in a parabolic confinement. To this end we numerically diagonalize the Hamiltonian using the Hartree-Fock based diagonalization method which is related to the configuration interaction approach. We study different types of interactions, Coulomb as well as short range. In addition to the ground state energy we calculate the spatial charge distribution and compare the results to those of the classical calculation. We find that a sufficiently strong screened Coulomb interaction produces energy level bunching for classical as well as for quantum-mechanical dots. Bunching in the quantum-mechanical system occurs due to an interplay of kinetic and interaction energy, moreover, it is observed well before reaching the limit of a Wigner crystal. It also turns out that the shell structure of classical and quantum mechanical spatial charge distributions is quite similar.

  7. Interacting Electrons in Parabolic Quantum Dots:. Energy Levels, Addition Energies, and Charge Distributions

    NASA Astrophysics Data System (ADS)

    Schreiber, Michael; Siewert, Jens; Vojta, Thomas

    2001-08-01

    We investigate the properties of interacting electrons in a parabolic confinement. To this end we numerically diagonalize the Hamiltonian using the Hartree-Fock based diagonalization method which is related to the configuration interaction approach. We study different types of interactions, Coulomb as well as short range. In addition to the ground state energy we calculate the spatial charge distribution and compare the results to those of the classical calculation. We find that a sufficiently strong screened Coulomb interaction produces energy level bunching for classical as well as for quantum-mechanical dots. Bunching in the quantum-mechanical system occurs due to an interplay of kinetic and interaction energy, moreover, it is observed well before reaching the limit of a Wigner crystal. It also turns out that the shell structure of classical and quantum mechanical spatial charge distributions is quite similar.

  8. Energy distribution in the strongly interacting binary system SX Cassiopeiae

    NASA Technical Reports Server (NTRS)

    Plavec, M. J.; Weiland, J. L.; Koch, R. H.

    1982-01-01

    IUE spectra and optical scans covering the 110-680 nm interval were obtained in a search for a source which would resolve the anomalous presence of strong Balmer emission lines in the SX Cas eclipsing binary system, which is inconsistent with the usual spectral classification of the components as A6 III + G6 III. The IUE spectra unexpectedly show such strong emission lines as those of C IV, N V and Si IV, which require higher temperatures that the already anomalously high Balmer lines, and a continuum several magnitudes higher than the extrapolated continuum of an A6 star. A model in which the UV continuum originates in the transition zone between the A6 star and an accretion disk fails to reproduce the observed energy distribution. A revision of component spectral types to B7 + K3 III removes the UV excess.

  9. AGN Spectral Energy Distributions of GLAST Telescope Network Program Objects

    NASA Astrophysics Data System (ADS)

    Adkins, Jeff; Lacy, Mark; Daou, Doris; Rapp, Steve; Stefaniak, Linda

    2005-03-01

    The Gamma-Ray Large Area Space Telescope (GLAST) has a proposed observing list that includes AGNs and Polars bright enough to be observed optically by amateurs and students. This observing list is maintained by the "GLAST Telescope Network" (GTN) and includes a number of objects that have yet to be observed by the Spitzer Space Telescope. Our project will observe one of these objects with the Spitzer MIPS and the IRAC instruments to determine their Spectral Energy Distribution (SED), which will be compared to a computer model of disk emission in order to determine what component of the SED is due to the disk and what component is due to synchrotron radiation induced by the jets. In addition we will observe our program objects prior to, simultaneously with, and after Spitzer observes them. This gives a direct connection from Spitzer research to student activities in the classroom.

  10. Passive Safety Small Reactor for Distributed Energy Supply

    NASA Astrophysics Data System (ADS)

    Ishida, Toshihisa; Sawada, Ken-Ichi; Odano, Naoteru

    The purpose of this paper is to study the core performance of passive safety small reactor for distributed energy supply by changing the heavy water (D2O) concentration in the mixed coolant together with the fuel pitch. The long core life with conditions of the excessive reactivity of 2 %Δk/k, the reactivity shutdown margin of 1 %Δk/k and the negative coolant temperature reactivity coefficient is attained for the case of D2O concentration of 60% with 10% enrichment gadolinia (Gd2O3) doped fuel rods. This D2O core has a shorter core life 4.14 years than the original light water (H2O) core 4.76 years, while it needs a larger core size. However, changing the D2O concentration on the way during the burn-up shows a possibility of extending more the core life than that of the original H2O core.

  11. Thylakoid protein phosphorylation: Regulation of light energy distribution in photosynthesis

    SciTech Connect

    Coughlan, S.J.

    1990-01-01

    It has become apparent that green plants possess the ability to adapt to changes in the spectral quality of ambient light. This phenomenon, state transitions, involves a reversible distribution of light energy between the two photosystems in response to changes in the excitation state of photosystems 1 and 2. Thus, the quantum efficiency of photosynthetic electron transport is maintained under different illumination conditions, and damage caused by excessive energetic input of light (photoinhibition) is prevented. This model comprises a phosphorylation/dephosphorylation cycle of three major components: substrates, the protein kinase(s) and protein phosphatase(s) responsible for the specific phosphorylation and dephosphorylation of these of substrates, and the control mechanisms whereby the protein kinase(s) is activated/deactivated in response to redox and /or conformational changes in the thylakoid. This report considers the three components in some detail.

  12. Evaluation Framework and Tools for Distributed Energy Resources

    SciTech Connect

    Gumerman, Etan Z.; Bharvirkar, Ranjit R.; LaCommare, Kristina Hamachi; Marnay , Chris

    2003-02-01

    The Energy Information Administration's (EIA) 2002 Annual Energy Outlook (AEO) forecast anticipates the need for 375 MW of new generating capacity (or about one new power plant) per week for the next 20 years, most of which is forecast to be fueled by natural gas. The Distributed Energy and Electric Reliability Program (DEER) of the Department of Energy (DOE), has set a national goal for DER to capture 20 percent of new electric generation capacity additions by 2020 (Office of Energy Efficiency and Renewable Energy 2000). Cumulatively, this amounts to about 40 GW of DER capacity additions from 2000-2020. Figure ES-1 below compares the EIA forecast and DEER's assumed goal for new DER by 2020 while applying the same definition of DER to both. This figure illustrates that the EIA forecast is consistent with the overall DEER DER goal. For the purposes of this study, Berkeley Lab needed a target level of small-scale DER penetration upon which to hinge consideration of benefits and costs. Because the AEO2002 forecasted only 3.1 GW of cumulative additions from small-scale DER in the residential and commercial sectors, another approach was needed to estimate the small-scale DER target. The focus here is on small-scale DER technologies under 500 kW. The technology size limit is somewhat arbitrary, but the key results of interest are marginal additional costs and benefits around an assumed level of penetration that existing programs might achieve. Berkeley Lab assumes that small-scale DER has the same growth potential as large scale DER in AEO2002, about 38 GW. This assumption makes the small-scale goal equivalent to 380,000 DER units of average size 100 kW. This report lays out a framework whereby the consequences of meeting this goal might be estimated and tallied up. The framework is built around a list of major benefits and a set of tools that might be applied to estimate them. This study lists some of the major effects of an emerging paradigm shift away from central

  13. Surface free energies and elemental surface compositions of human enamel after application of commercially available mouthrinses and adsorption of salivary constituents.

    PubMed

    Perdok, J F; Van Der Mei, H C; Busscher, H J; Genet, M J; Rouxhet, P G

    1990-01-01

    The adsorption of active agents from six commercially available mouthrinses to ground and polished enamel, with and without adsorbed salivary constituents, was monitored by contact angle measurements and X-ray Photoelectron Spectroscopy (XPS). Human enamel samples were treated with mouthrinses containing chlorhexidine (Peridex), stannous fluoride/amine fluoride (Meridol), thymol/benzoic acid (Listerine), sanguinarine (Veadent), sodium fluoride (Prodent), or cetylpyridinium chloride (Merocet). XPS indicated a sizeable adsorption of both active and non-active components for all products. After treatment, all enamel surface free energies increased except for the stannous fluoride/amine fluoride containing mouthrinse. It is suggested that non-active components in the products cause an increase in surface free energy. Despite this thermodynamically unfavorable increase in surface free energy, all rinses have plaque reducing effects, indicating that this unfavorable surface characteristic is overruled by the antibacterial properties of the components. Replacement of non-active components by less adsorbing surfactants could increase the efficiency of the products tested. PMID:2090159

  14. Curvature of the spectral energy distributions of blazars

    SciTech Connect

    Chen, Liang

    2014-06-20

    In this paper, spectral energy distributions (SED) of both synchrotron and inverse Compton (IC) components of a sample of Fermi bright blazars are fitted by a log-parabolic law. The second-degree term of the log parabola measures the curvature of an SED. We find a statistically significant correlation between the synchrotron peak frequency and its curvature. This result is in agreement with the theoretical prediction and confirms previous studies that dealt with a single source with observations at various epochs or a small sample. If a broken power law is employed to fit the SED, the difference between the two spectral indices (i.e., |α{sub 2} – α{sub 1}|) can be considered a 'surrogate' of the SED curvature. We collect data from the literature and find a correlation between the synchrotron peak frequency and the spectral difference. We do not find a significant correlation between the IC peak frequency and its curvature, which may be caused by a complicated seed photon field. It is also found that the synchrotron curvatures are on average larger than those of IC curvatures, and there is no correlation between these two parameters. As suggested by previous works, both the log-parabolic law of the SED and the above correlation can be explained by statistical and/or stochastic particle accelerations. Based on a comparison of the slops of the correlation, our result seems to favor stochastic acceleration mechanisms and emission processes. Additional evidence, including SED modeling, particle acceleration simulation, and comparisons between some predictions and empirical relations/correlations, also seems to support the idea that the electron energy distribution (and/or synchrotron SED) may be log-parabolic.

  15. Ion energy distributions in dual frequency RF plasmas

    NASA Astrophysics Data System (ADS)

    Hatton, Peter; Rees, John; Bort, Sam; Seymour, Dave

    2015-09-01

    For many surface-processing applications involving plasmas operated at RF frequencies it has been found helpful to combine two sources of power operating at different frequencies. By choosing suitable input powers at the two frequencies and varying the phase relationship set between the two inputs, the energy distributions (IEDs) for the ions arriving at the target surface can be optimised. There have been, however, only a limited number of published reports of measured or modelled distributions. In the present work IEDs for both positive and negative ions formed in plasmas in argon and nitrous oxide have been measured for mass-identified ions in two different reactors, one of which is a parallel-plate, capacitatively-coupled, system and the other is an inductively-coupled system. Typical data for 13.56 and 27.1 MHz inputs are presented for a range of phase relationships. The IEDs show clearly significant differences between the data for different species of ions which result in part from the ion-molecule collisions occurring, particularly in the plasma/surface sheath regions.

  16. A modal approach to modeling spatially distributed vibration energy dissipation.

    SciTech Connect

    Segalman, Daniel Joseph

    2010-08-01

    The nonlinear behavior of mechanical joints is a confounding element in modeling the dynamic response of structures. Though there has been some progress in recent years in modeling individual joints, modeling the full structure with myriad frictional interfaces has remained an obstinate challenge. A strategy is suggested for structural dynamics modeling that can account for the combined effect of interface friction distributed spatially about the structure. This approach accommodates the following observations: (1) At small to modest amplitudes, the nonlinearity of jointed structures is manifest primarily in the energy dissipation - visible as vibration damping; (2) Correspondingly, measured vibration modes do not change significantly with amplitude; and (3) Significant coupling among the modes does not appear to result at modest amplitudes. The mathematical approach presented here postulates the preservation of linear modes and invests all the nonlinearity in the evolution of the modal coordinates. The constitutive form selected is one that works well in modeling spatially discrete joints. When compared against a mathematical truth model, the distributed dissipation approximation performs well.

  17. Enhanced Security-Constrained OPF With Distributed Battery Energy Storage

    SciTech Connect

    Wen, YF; Guo, CX; Kirschen, DS; Dong, SF

    2015-01-01

    This paper discusses how fast-response distributed battery energy storage could be used to implement post-contingency corrective control actions. Immediately after a contingency, the injections of distributed batteries could be adjusted to alleviate overloads and reduce flows below their short-term emergency rating. This ensures that the post-contingency system remains stable until the operator has redispatched the generation. Implementing this form of corrective control would allow operators to take advantage of the difference between the short-and long-term ratings of the lines and would therefore increase the available transmission capacity. This problem is formulated as a two-stage, enhanced security-constrained OPF problem, in which the first-stage optimizes the pre-contingency generation dispatch, while the second-stage minimizes the corrective actions for each contingency. Case studies based on a six-bus test system and on the RTS 96 demonstrate that the proposed method provides effective corrective actions and can guarantee operational reliability and economy.

  18. The Far-Infrared Spectral Energy Distributions of Quasars

    NASA Technical Reports Server (NTRS)

    Wilkes, Belinda J.; West, Donald K. (Technical Monitor)

    2001-01-01

    The origin of the infrared emission in Active Galactic Nuclei (AGN), whose strength is comparable to the optical/ultraviolet (OUV) emission, is generally thought to be a combination of thermal emission from dust and non-thermal, synchrotron emission. Although data are sparse, particularly in the far-infrared, the broad wavelength range of this emission suggests a wide range of temperatures and a combination of AGN and starburst heating mechanisms. The strength of the non-thermal emission is expected to be related to the radio emission. While this scenario is well-established, basic questions, such as the spatial and temperature distribution of the dust, the relative importance of AGN and starburst heating, and the significance of the non-thermal contribution remain largely undetermined. The wide wavelength range of the Infrared Space Observatory (ISO) combined with its arcmin spatial resolution and increased sensitivity facilitated the observation of a larger subset of the AGN population than previously covered, allowing these questions to be investigated in more detail. This paper will review the spectral energy distributions (SED) of AGN with particular emphasis on the infrared emission and on ISO's contributions to our knowledge. Preliminary results from ISO observations of X-ray selected and high-redshift AGN will be described.

  19. Spectrophotometry of Wolf-Rayet stars. I - Continuum energy distributions

    NASA Technical Reports Server (NTRS)

    Morris, Patrick W.; Brownsberger, Kenneth R.; Conti, Peter S.; Massey, Philip; Vacca, William D.

    1993-01-01

    All available low-resolution IUE spectra are assembled for Galactic, LMC, and SMC W-R stars and are merged with ground-based optical and NIR spectra in order to collate in a systematic fashion the shapes of these energy distributions over the wavelength range 0.1-1 micron. They can be consistently fitted by a power law of the form F(lambda) is approximately equal to lambda exp -alpha over the range 1500-9000 A to derive color excesses E(B-V) and spectral indices by removing the 2175-A interstellar absorption feature. The WN star color excesses derived are found to be in good agreement with those of Schmutz and Vacca (1991) and Koesterke et al. (1991). Significant heterogeneity in spectral index values was generally seen with any given subtype, but the groups consisting of the combined set of Galactic and LMC W-R stars, the separate WN and WC sequences, and the Galactic and LMC W-R stars all showed a striking and consistent Gaussian-like frequency distribution of values.

  20. Distributed generation capabilities of the national energy modeling system

    SciTech Connect

    LaCommare, Kristina Hamachi; Edwards, Jennifer L.; Marnay, Chris

    2003-01-01

    This report describes Berkeley Lab's exploration of how the National Energy Modeling System (NEMS) models distributed generation (DG) and presents possible approaches for improving how DG is modeled. The on-site electric generation capability has been available since the AEO2000 version of NEMS. Berkeley Lab has previously completed research on distributed energy resources (DER) adoption at individual sites and has developed a DER Customer Adoption Model called DER-CAM. Given interest in this area, Berkeley Lab set out to understand how NEMS models small-scale on-site generation to assess how adequately DG is treated in NEMS, and to propose improvements or alternatives. The goal is to determine how well NEMS models the factors influencing DG adoption and to consider alternatives to the current approach. Most small-scale DG adoption takes place in the residential and commercial modules of NEMS. Investment in DG ultimately offsets purchases of electricity, which also eliminates the losses associated with transmission and distribution (T&D). If the DG technology that is chosen is photovoltaics (PV), NEMS assumes renewable energy consumption replaces the energy input to electric generators. If the DG technology is fuel consuming, consumption of fuel in the electric utility sector is replaced by residential or commercial fuel consumption. The waste heat generated from thermal technologies can be used to offset the water heating and space heating energy uses, but there is no thermally activated cooling capability. This study consists of a review of model documentation and a paper by EIA staff, a series of sensitivity runs performed by Berkeley Lab that exercise selected DG parameters in the AEO2002 version of NEMS, and a scoping effort of possible enhancements and alternatives to NEMS current DG capabilities. In general, the treatment of DG in NEMS is rudimentary. The penetration of DG is determined by an economic cash-flow analysis that determines adoption based on the

  1. High-Resolution Electron Energy Loss Studies of Oxygen, Hydrogen, Nitrogen, Nitric Oxide, and Nitrous Oxide Adsorption on Germanium Surfaces.

    NASA Astrophysics Data System (ADS)

    Entringer, Anthony G.

    The first high resolution electron energy loss spectroscopy (HREELS) studies of the oxidation and nitridation of germanium surfaces are reported. Both single crystal Ge(111) and disordered surfaces were studied. Surfaces were exposed to H, O_2, NO, N _2O, and N, after cleaning in ultra-high vacuum. The Ge surfaces were found to be non-reactive to molecular hydrogen (H_2) at room temperature. Exposure to atomic hydrogen (H) resulted hydrogen adsorption as demonstrated by the presence of Ge-H vibrational modes. The HREEL spectrum of the native oxide of Ge characteristic of nu -GeO_2 was obtained by heating the oxide to 200^circC. Three peaks were observed at 33, 62, and 106 meV for molecular oxygen (O_2) adsorbed on clean Ge(111) at room temperature. These peaks are indicative of dissociative bonding and a dominant Ge-O-Ge bridge structure. Subsequent hydrogen exposure resulted in a shift of the Ge-H stretch from its isolated value of 247 meV to 267 meV, indicative of a dominant +3 oxidation state. A high density of dangling bonds and defects and deeper oxygen penetration at the amorphous Ge surface result in a dilute bridge structure with a predominant +1 oxidation state for similar exposures. Molecules of N_2O decompose at the surfaces to desorbed N_2 molecules and chemisorbed oxygen atoms. In contrast, both oxygen and nitrogen are detected at the surfaces following exposure to NO molecules. Both NO and N_2O appear to dissociate and bond at the top surface layer. Molecular nitrogen (N_2) does not react with the Ge surfaces, however, a precursor Ge nitride is observed at room temperature following exposure to nitrogen atoms and ions. Removal of oxygen by heating of the NO-exposed surface to 550^circC enabled the identification of the Ge-N vibrational modes. These modes show a structure similar to that of germanium nitride. This spectrum is also identical to that of the N-exposed surface heated to 550^circC. Surface phonon modes of the narrow-gap semiconducting

  2. Protein Adsorption in Three Dimensions

    PubMed Central

    Vogler, Erwin A.

    2011-01-01

    Recent experimental and theoretical work clarifying the physical chemistry of blood-protein adsorption from aqueous-buffer solution to various kinds of surfaces is reviewed and interpreted within the context of biomaterial applications, especially toward development of cardiovascular biomaterials. The importance of this subject in biomaterials surface science is emphasized by reducing the “protein-adsorption problem” to three core questions that require quantitative answer. An overview of the protein-adsorption literature identifies some of the sources of inconsistency among many investigators participating in more than five decades of focused research. A tutorial on the fundamental biophysical chemistry of protein adsorption sets the stage for a detailed discussion of the kinetics and thermodynamics of protein adsorption, including adsorption competition between two proteins for the same adsorbent immersed in a binary-protein mixture. Both kinetics and steady-state adsorption can be rationalized using a single interpretive paradigm asserting that protein molecules partition from solution into a three-dimensional (3D) interphase separating bulk solution from the physical-adsorbent surface. Adsorbed protein collects in one-or-more adsorbed layers, depending on protein size, solution concentration, and adsorbent surface energy (water wettability). The adsorption process begins with the hydration of an adsorbent surface brought into contact with an aqueous-protein solution. Surface hydration reactions instantaneously form a thin, pseudo-2D interface between the adsorbent and protein solution. Protein molecules rapidly diffuse into this newly-formed interface, creating a truly 3D interphase that inflates with arriving proteins and fills to capacity within milliseconds at mg/mL bulk-solution concentrations CB. This inflated interphase subsequently undergoes time-dependent (minutes-to-hours) decrease in volume VI by expulsion of either-or-both interphase water and

  3. Distributed Energy Alternative to Electrical Distribution Grid Expansion in Consolidated Edison Service Territory

    SciTech Connect

    Kingston, Tim; Kelly, John

    2008-08-01

    The nation's power grid, specifically the New York region, faces burgeoning energy demand and suffers from congested corridors and aging equipment that cost New York consumers millions of dollars. Compounding the problem is high-density buildup in urban areas that limits available space to expand grid capacity. Coincidently, these urban areas are precisely where additional power is required. DER in this study refers to combined heat and power (CHP) technology, which simultaneously generates heat and electricity at or near the point where the energy will be consumed. There are multiple CHP options available that, combined with a portfolio of other building energy efficiency (EE) strategies, can help achieve a more efficient supply-demand balance than what the grid can currently provide. As an alternative to expanding grid capacity, CHP and EE strategies can be deployed in a flexible manner at virtually any point on the grid to relieve load. What's more, utilities and customers can install them in a variety of potentially profitable applications that are more environmentally friendly. Under the auspices of the New York State Energy Research and Development Authority (NYSERDA) and the Oak Ridge National Laboratory representing the Office of Electricity of the U.S. Department of Energy, Gas Technology Institute (GTI) conducted this study in cooperation with Consolidated Edison to help broaden the market penetration of EE and DER. This study provides realistic load models and identifies the impacts that EE and DER can have on the electrical distribution grid; specifically within the current economic and regulatory environment of a high load growth area of New York City called Hudson Yards in Midtown Manhattan. These models can be used to guide new policies that improve market penetration of appropriate CHP and EE technologies in new buildings. The following load modeling scenarios were investigated: (1) Baseline: All buildings are built per the Energy Conservation

  4. Physical adsorption strength in open systems.

    PubMed

    Knippenberg, M Todd; Stuart, Steven J; Cooper, Alan C; Pez, G P; Cheng, Hansong

    2006-11-23

    For a physical adsorption system, the distances of adsorbates from the surface of a substrate can vary significantly, depending on particle loading and interatomic interactions. Although the total adsorption energy is quantified easily, the normalized, per-particle adsorption energies are more ambiguous if some of these particles are far away from the surface and are interacting only weakly with the substrate. A simple analytical procedure is proposed to characterize the distance dependence of the physisorption strength and effective adsorption capacity. As an example, the method is utilized to describe H2 physisorption in a finite bundle of single-walled carbon nanotubes. PMID:17107125

  5. Microstructure-Dependent Gas Adsorption: Accurate Predictions of Methane Uptake in Nanoporous Carbons

    SciTech Connect

    Ihm, Yungok; Cooper, Valentino R; Gallego, Nidia C; Contescu, Cristian I; Morris, James R

    2014-01-01

    We demonstrate a successful, efficient framework for predicting gas adsorption properties in real materials based on first-principles calculations, with a specific comparison of experiment and theory for methane adsorption in activated carbons. These carbon materials have different pore size distributions, leading to a variety of uptake characteristics. Utilizing these distributions, we accurately predict experimental uptakes and heats of adsorption without empirical potentials or lengthy simulations. We demonstrate that materials with smaller pores have higher heats of adsorption, leading to a higher gas density in these pores. This pore-size dependence must be accounted for, in order to predict and understand the adsorption behavior. The theoretical approach combines: (1) ab initio calculations with a van der Waals density functional to determine adsorbent-adsorbate interactions, and (2) a thermodynamic method that predicts equilibrium adsorption densities by directly incorporating the calculated potential energy surface in a slit pore model. The predicted uptake at P=20 bar and T=298 K is in excellent agreement for all five activated carbon materials used. This approach uses only the pore-size distribution as an input, with no fitting parameters or empirical adsorbent-adsorbate interactions, and thus can be easily applied to other adsorbent-adsorbate combinations.

  6. Effect of the corrected ionization potential and spatial distribution on the angular and energy distribution in tunnel ionization

    NASA Astrophysics Data System (ADS)

    Petrović, V. M.; Miladinović, T. B.

    2016-05-01

    Within the framework of the Ammosov-Delone-Krainov theory, we consider the angular and energy distribution of outgoing electrons due to ionization by a circularly polarized electromagnetic field. A correction of the ground ionization potential by the ponderomotive and Stark shift is incorporated in both distributions. Spatial dependence is analyzed.

  7. Space and energy. [space systems for energy generation, distribution and control

    NASA Technical Reports Server (NTRS)

    Bekey, I.

    1976-01-01

    Potential contributions of space to energy-related activities are discussed. Advanced concepts presented include worldwide energy distribution to substation-sized users using low-altitude space reflectors; powering large numbers of large aircraft worldwide using laser beams reflected from space mirror complexes; providing night illumination via sunlight-reflecting space mirrors; fine-scale power programming and monitoring in transmission networks by monitoring millions of network points from space; prevention of undetected hijacking of nuclear reactor fuels by space tracking of signals from tagging transmitters on all such materials; and disposal of nuclear power plant radioactive wastes in space.

  8. Phosphate adsorption on lanthanum loaded biochar.

    PubMed

    Wang, Zhanghong; Shen, Dekui; Shen, Fei; Li, Tianyu

    2016-05-01

    To attain a low-cost and high-efficient phosphate adsorbent, lanthanum (La) loaded biochar (La-BC) prepared by a chemical precipitation method was developed. La-BC and its pristine biochar (CK-BC) were comparatively characterized using zeta potential, BET surface area, scanning electron microscopy/energy dispersive spectrometer (SEM-EDS), X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS) and Fourier transform infrared spectroscopy (FT-IR). The adsorption ability and the mechanisms during adsorption process for the La-BC samples were also investigated. La loaded on the surface of biochar can be termed as La-composites (such as LaOOH, LaONO3 and La(OH)3), leading to the decrease of negative charge and surface area of biochar. La-BC exhibited the high adsorption capacity to phosphate compared to CK-BC. Adsorption isotherm and adsorption kinetic studies showed that the Langmuir isotherm and second order model could well describe the adsorption process of La-BC, indicating that the adsorption was dominated by a homogeneous and chemical process. The calculated maximum adsorption capacity was as high as 46.37 mg g(-1) (computed in P). Thermodynamic analysis revealed that the adsorption was spontaneous and endothermic. SEM, XRD, XPS and FT-IR analysis suggested that the multi-adsorption mechanisms including precipitation, ligand exchange and complexation interactions can be evidenced during the phosphate adsorption process by La-composites in La-BC. PMID:26871732

  9. Direct Energy Exchange Enhancement in Distributed Injection Light Gas Launchers

    SciTech Connect

    Alger, T W; Finucane, R G; Hall, J P; Penetrante, B M; Uphaus, T M

    2000-04-06

    initially contained in the reservoir. This results deserves emphasis: whereas conventional guns apply a few percent of the reservoir pressure to a fast moving projectile, our design is paradoxically capable of applying nearly double the contained pressure. We later confirmed this experimental result analytically and related it to a type of direct energy exchange between unsteady fluid flows. This physical approach was the basis for the German V-1 ''buzz bomb'' of World War II; it has been applied to a limited number of commercial applications. (This work should not be confused with the German WWII distributed injection missile launchers.) Direct fluid-energy exchange has not previously been applied to any gas-launcher technology. As a result of these discoveries, we estimate that a practical, 15 km/s, high-velocity launcher could be built using our direct-energy-exchange, distributed-injection approach. However, the radical nature of the results, the lack of confirming or allied work being carried out anywhere else, and the fact that it would take extensive time and resources to demonstrate targeted performance precluded further development. We plan to submit the results to a refereed journal to ensure that the work will not be lost to the launcher community.

  10. Quasar Spectral Energy Distributions As A Function Of Physical Property

    NASA Astrophysics Data System (ADS)

    Townsend, Shonda; Ganguly, R.; Stark, M. A.; Derseweh, J. A.; Richmond, J. M.

    2012-05-01

    Galaxy evolution models have shown that quasars are a crucial ingredient in the evolution of massive galaxies. Outflows play a key role in the story of quasars and their host galaxies, by helping regulate the accretion process, the star-formation rate and mass of the host galaxy (i.e., feedback). The prescription for modeling outflows as a contributor to feedback requires knowledge of the outflow velocity, geometry, and column density. In particular, we need to understand how these depend on physical parameters and how much is determined stochastically (and with what distribution). In turn, models of outflows have shown particular sensitivity to the shape of the spectral energy distribution (SED), depending on the UV luminosity to transfer momentum to the gas, the X-ray luminosity to regulate how efficiently that transfer can be, etc. To investigate how SED changes with physical properties, we follow up on Richards et al. (2006), who constructed SEDs with varying luminosity. Here, we construct SEDs as a function of redshift, and physical property (black hole mass, bolometric luminosity, Eddington ratio) for volume limited samples drawn from the Sloan Digital Sky Survey, with photometry supplemented from 2MASS, WISE, GALEX, ROSAT, and Chandra. To estimate black hole masses, we adopt the scaling relations from Greene & Ho (2005) based on the H-alpha emission line FWHM. This requires redshifts less than 0.4. To construct volume-limited subsamples, we begin by adopting g=19.8 as a nominal limiting magnitude over which we are guaranteed to detect z<0.4 quasars. At redshift 0.4, we are complete down to Mg=-21.8, which yields 3300 objects from Data Release 7. At z=0.1, we are complete down to Mg=-18.5. This material is based upon work supported by the National Aeronautics and Space Administration under Grant No. 09-ADP09-0016 issued through the Astrophysics Data Analysis Program.

  11. Energy Distribution of Electrons in Radiation Induced-Helium Plasmas. Ph.D. Thesis

    NASA Technical Reports Server (NTRS)

    Lo, R. H.

    1972-01-01

    Energy distribution of high energy electrons as they slow down and thermalize in a gaseous medium is studied. The energy distribution in the entire energy range from source energies down is studied analytically. A helium medium in which primary electrons are created by the passage of heavy-charged particles from nuclear reactions is emphasized. A radiation-induced plasma is of interest in a variety of applications, such as radiation pumped lasers and gaseous core nuclear reactors.

  12. 16 CFR Table 4 to Part 1512 - Relative Energy Distribution of Sources

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 16 Commercial Practices 2 2012-01-01 2012-01-01 false Relative Energy Distribution of Sources 4... SUBSTANCES ACT REGULATIONS REQUIREMENTS FOR BICYCLES Pt. 1512, Table 4 Table 4 to Part 1512—Relative Energy Distribution of Sources Wave length (nanometers) Relative energy 380 9.79 390 12.09 400 14.71 410 17.68 420...

  13. 16 CFR Table 4 to Part 1512 - Relative Energy Distribution of Sources

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 16 Commercial Practices 2 2013-01-01 2013-01-01 false Relative Energy Distribution of Sources 4... SUBSTANCES ACT REGULATIONS REQUIREMENTS FOR BICYCLES Pt. 1512, Table 4 Table 4 to Part 1512—Relative Energy Distribution of Sources Wave length (nanometers) Relative energy 380 9.79 390 12.09 400 14.71 410 17.68 420...

  14. 16 CFR Table 4 to Part 1512 - Relative Energy Distribution of Sources

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 16 Commercial Practices 2 2014-01-01 2014-01-01 false Relative Energy Distribution of Sources 4... SUBSTANCES ACT REGULATIONS REQUIREMENTS FOR BICYCLES Pt. 1512, Table 4 Table 4 to Part 1512—Relative Energy Distribution of Sources Wave length (nanometers) Relative energy 380 9.79 390 12.09 400 14.71 410 17.68 420...

  15. 16 CFR Table 4 to Part 1512 - Relative Energy Distribution of Sources

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 16 Commercial Practices 2 2010-01-01 2010-01-01 false Relative Energy Distribution of Sources 4... SUBSTANCES ACT REGULATIONS REQUIREMENTS FOR BICYCLES Pt. 1512, Table 4 Table 4 to Part 1512—Relative Energy Distribution of Sources Wave length (nanometers) Relative energy 380 9.79 390 12.09 400 14.71 410 17.68 420...

  16. 16 CFR Table 4 to Part 1512 - Relative Energy Distribution of Sources

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 16 Commercial Practices 2 2011-01-01 2011-01-01 false Relative Energy Distribution of Sources 4... SUBSTANCES ACT REGULATIONS REQUIREMENTS FOR BICYCLES Pt. 1512, Table 4 Table 4 to Part 1512—Relative Energy Distribution of Sources Wave length (nanometers) Relative energy 380 9.79 390 12.09 400 14.71 410 17.68 420...

  17. 10 CFR 431.193 - Test procedures for measuring energy consumption of distribution transformers.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... procedures for measuring the energy efficiency of distribution transformers for purposes of EPCA are... EFFICIENCY PROGRAM FOR CERTAIN COMMERCIAL AND INDUSTRIAL EQUIPMENT Distribution Transformers Test Procedures... 10 Energy 3 2013-01-01 2013-01-01 false Test procedures for measuring energy consumption...

  18. 10 CFR 431.193 - Test procedures for measuring energy consumption of distribution transformers.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... procedures for measuring the energy efficiency of distribution transformers for purposes of EPCA are... EFFICIENCY PROGRAM FOR CERTAIN COMMERCIAL AND INDUSTRIAL EQUIPMENT Distribution Transformers Test Procedures... 10 Energy 3 2012-01-01 2012-01-01 false Test procedures for measuring energy consumption...

  19. 10 CFR 431.193 - Test procedures for measuring energy consumption of distribution transformers.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... procedures for measuring the energy efficiency of distribution transformers for purposes of EPCA are... EFFICIENCY PROGRAM FOR CERTAIN COMMERCIAL AND INDUSTRIAL EQUIPMENT Distribution Transformers Test Procedures... 10 Energy 3 2014-01-01 2014-01-01 false Test procedures for measuring energy consumption...

  20. High-temperature adsorption of n-octane, benzene, and chloroform onto silica gel surface

    SciTech Connect

    Bilinski, B.

    2000-05-01

    The adsorption properties of silica gel surface for compounds differing in types of intermolecular interactions were studied under conditions in which the same silica was investigated by means of a gas phase titration method, i.e., at high temperature and low surface coverage. Adsorption isotherms of n-octane, benzene, and chloroform were determined at 373, 363, and 353 K. Based on these isotherms the isosteric heat of adsorption was calculated. Moreover, the adsorption energy distribution function and the derivative of film pressure with respect to the adsorbed amount were computed from the isotherms determined at 373 K. The obtained results were compared to those determined by gas phase titration. It was stated that on the dependencies of film pressure derivative some linear sections appeared that corresponded to the inflection points on gas phase titration curves. The results are discussed in terms of both the type and the strength of surface-molecule interactions.

  1. Adsorption kinetics and dynamics in Si(100) epitaxial growth and oxidation

    NASA Astrophysics Data System (ADS)

    Ferguson, Bradley Alan

    Molecular beam surface science techniques have been employed to probe the adsorption kinetics and dynamics of disilane and oxygen on Si(100)-2 x 1. In particular, the beam reflectivity method of King and Wells was used to measure reaction probabilities over a wide range of incident translational energies, incident angles, and surface temperatures. Oxygen is shown to chemisorb on Si(100) via two distinct adsorption mechanisms: trapping-mediated and direct chemisorption. In the low kinetic energy range, the adsorption probability is found to decrease strongly with increasing surface temperature and kinetic energy, which are trends consistent with a trapping-mediated mechanism. A simple mathematical model for trapping-mediated chemisorption fits the data in this range quite well. Trapping probabilities can be estimated from the data using the model, and decrease with increasing kinetic energy, as would be expected. In the high kinetic energy range, the chemisorption probability increases strongly with increasing kinetic energy, which is a defining characteristic of direct chemisorption. The molecular beam adsorption probability measurements are convoluted with a Maxwell-Boltzmann distribution of incident kinetic energies and angles to predict the average adsorption probability of a thermalized gas. From these calculations, the trapping-mediated mechanism dominates adsorption at low temperatures, while the direct mechanism takes over as the temperature is raised. The adsorption probability of disilane was measured over a wide range of conditions as well. The trapping-mediated and direct chemisorption mechanisms are also shown to be active in this system. However, the trapping probability in this system is much higher over a wider range of kinetic energies, primarily due to an increased physical adsorption binding energy. Also, the effect of surface hydrogen coverage on the chemisorption probability was investigated, and was found to obey a simple second order kinetic

  2. Scattering, Adsorption, and Langmuir-Hinshelwood Desorption Models for Physisorptive and Chemisorptive Gas-Surface Systems

    NASA Astrophysics Data System (ADS)

    Bentley, Brook I.

    Surface effects limit the performance of hypersonic vehicles, micro-electro-mechanical devices, and directed energy systems. This research develops methods to predict adsorption, scattering, and thermal desorption of molecules on a surface. These methods apply to physisorptive (adsorption and scattering) and chemisorptive (thermal desorption) gas-surface systems. Engineering and design applications will benefit from these methods, hence they are developed under the Direct Simulation Monte Carlo construct. The novel adsorption and scattering contribution, the Modified Kisliuk with Scattering method, predicts angular and energy distributions, and adsorption probabilities. These results agree more closely with experiment than the state-of-the-art Cercignani-Lampis-Lord scattering kernel. Super-elastic scattering is predicted. Gas-adlayer interactions are included for the first time. Accommodation coefficents can be determined by fitting simulations to experimental data. The new thermal desorption model accurately calculates angular, translational, rotational, and vibrational distributions, and the rotational alignment parameter. The model is validated by comparing with experiments. Multiple transition states are considered in a set of non-dimensionalized equations of motion, linked with temporally-accurate event timing. Initial conditions are chosen from a new truncated Maxwell-Boltzmann distribution. Run times are improved by eliminating the Gaussian Weighting of desorbing products. The absorption energy barrier is shown to significantly contribute only to the translational energy of desorbing molecules by contributing energy to each adatom in a similar manner.

  3. Adsorption removal of pollutants by active cokes produced from sludge in the energy recycle process of wastes.

    PubMed

    Kojima, Naozumi; Mitomo, Aki; Itaya, Yoshinori; Mori, Shigekatsu; Yoshida, Shuichi

    2002-01-01

    This study proposes a recycling system of sludge into active cokes and the fundamental examinations for the application were carried out. In the system, active cokes were produced by carbonizing pellets of sludge in a steam stream. Pyrolysis gas yielded by carbonization can be available to a fuel for a steam generation boiler. The exhaust heat from the boiler is used sequentially for drying of sludge. The active cokes are applied to the adsorbent for dioxin removal in exhaust gas from incinerators of wastes, or for purification of gas obtained in a gasification process of wastes, particularly removal of H2S. The used adsorbent is not recycled, but incinerated in the furnace without a desorption process to decompose adsorbed dioxin or to oxidize H2S for a sequential desulfurization process of SO2. Dry pellets of sludge were carbonized in a quartz tube reactor under various atmospheres. The micro pore structure and the adsorption performance of the cokes produced without activation process were examined. The micro pore structure was influenced by the temperature, the sort of flow gas (N2, CO2 and steam) and carbonization time, and the active cokes produced under the condition of the temperature 823 K for 60 min in the steam atmosphere had a largest specific surface area in the diameter less than 5 nm. The amount of benzene adsorption as an alternative substance of dioxin into the active cokes had a similar quality to a commercial active char produced from coal if it was evaluated by adsorption per a unit specific surface area. This fundamental knowledge must be reflected to an optimum design for development of a simple continuous process to produce the active cokes by a fluidized bed type of the carbonization furnace.

  4. A Tool For Exploring Spectral Energy Distributions in the Classroom

    NASA Astrophysics Data System (ADS)

    Stanford, Darryl; Seebode, S.; Drumheller, D.; Howell, S. B.; Hoard, D. W.

    2011-01-01

    The calculation of spectral type, temperature, radius and distance is often the first step in the study of stars and stellar systems. Spectral energy distributions or SEDs are of paramount importance in the determination of these quantities. We have created an innovative tool that enables high school and college physics and astronomy instructors and their students, to evaluate these parameters. This tool includes templates of main sequence stars with spectral types from O5 to M5 and associated lesson plans. Instructors can use it in a classroom setting and design lab exercises around it. Students can use it for research, determining stellar radii, distances, as well as cluster membership of stellar samples. More complex, multi-component SEDs can be used to investigate stellar systems, with dust disks, as well as, the dusty nuclei of starburst galaxies. The tool is in google documents format, easily downloadable and modifiable by interested parties, and will be accessible on the College of San Mateo astronomy website (http://gocsm.net/astronomy/), Teachers and students can add template data for other spectral types and luminosity classes, for their own projects. This study is part of the NASA/IPAC Teacher Archive Research Project (NITARP).

  5. Infrared Spectral Energy Distributions of Nearby Dwarf Carbon Stars

    NASA Astrophysics Data System (ADS)

    Lowrance, Patrick

    2014-06-01

    The discovery of G77-61 (Dahn et al. 1977) -- a star with a carbon-rich spectrum a mere 58 pc away and therefore of relatively low luminosity -- led to the recognition that _dwarf_ carbon (dC) stars exist. As more dCs are now known, the accepted paradigm of the presence of atmospheric carbon is that dCs must contain a white dwarf secondary. While the white dwarf companion was going through an AGB stage, it deposited carbon-rich material in the atmosphere of the lower-mass (and now brighter) dwarf star. Indeed, a handful of the dC's have exhibited radial velocity signatures consistent with this picture. To allow for the carbon to still be present in the atmosphere past the AGB stage, a replenishing outer shell or disk has been proposed. Current understanding of the formation and evolution of a dC is, however, limited by the small number of objects and observations. We present a full range of fluxes and flux limits from 1 - 160 um including 2MASS, WISE, Spitzer, and Herschel observations for a list of the nearest carbon dwarfs. We reconstruct the spectral energy distribution exploring the mid-infrared region where any residual debris disks would be detectable. The carbon dwarfs have been historically studied in the visible, and these new infrared observations provide a picture of the circumstellar dust.

  6. Electron energy distributions in a magnetized inductively coupled plasma

    SciTech Connect

    Song, Sang-Heon E-mail: Sang-Heon.Song@us.tel.com; Yang, Yang; Kushner, Mark J.

    2014-09-15

    Optimizing and controlling electron energy distributions (EEDs) is a continuing goal in plasma materials processing as EEDs determine the rate coefficients for electron impact processes. There are many strategies to customize EEDs in low pressure inductively coupled plasmas (ICPs), for example, pulsing and choice of frequency, to produce the desired plasma properties. Recent experiments have shown that EEDs in low pressure ICPs can be manipulated through the use of static magnetic fields of sufficient magnitudes to magnetize the electrons and confine them to the electromagnetic skin depth. The EED is then a function of the local magnetic field as opposed to having non-local properties in the absence of the magnetic field. In this paper, EEDs in a magnetized inductively coupled plasma (mICP) sustained in Ar are discussed with results from a two-dimensional plasma hydrodynamics model. Results are compared with experimental measurements. We found that the character of the EED transitions from non-local to local with application of the static magnetic field. The reduction in cross-field mobility increases local electron heating in the skin depth and decreases the transport of these hot electrons to larger radii. The tail of the EED is therefore enhanced in the skin depth and depressed at large radii. Plasmas densities are non-monotonic with increasing pressure with the external magnetic field due to transitions between local and non-local kinetics.

  7. Simulated galaxy interactions as probes of merger spectral energy distributions

    SciTech Connect

    Lanz, Lauranne; Zezas, Andreas; Smith, Howard A.; Ashby, Matthew L. N.; Fazio, Giovanni G.; Hernquist, Lars; Hayward, Christopher C.; Brassington, Nicola

    2014-04-10

    We present the first systematic comparison of ultraviolet-millimeter spectral energy distributions (SEDs) of observed and simulated interacting galaxies. Our sample is drawn from the Spitzer Interacting Galaxy Survey and probes a range of galaxy interaction parameters. We use 31 galaxies in 14 systems which have been observed with Herschel, Spitzer, GALEX, and 2MASS. We create a suite of GADGET-3 hydrodynamic simulations of isolated and interacting galaxies with stellar masses comparable to those in our sample of interacting galaxies. Photometry for the simulated systems is then calculated with the SUNRISE radiative transfer code for comparison with the observed systems. For most of the observed systems, one or more of the simulated SEDs match reasonably well. The best matches recover the infrared luminosity and the star formation rate of the observed systems, and the more massive systems preferentially match SEDs from simulations of more massive galaxies. The most morphologically distorted systems in our sample are best matched to the simulated SEDs that are close to coalescence, while less evolved systems match well with the SEDs over a wide range of interaction stages, suggesting that an SED alone is insufficient for identifying the interaction stage except during the most active phases in strongly interacting systems. This result is supported by our finding that the SEDs calculated for simulated systems vary little over the interaction sequence.

  8. Advanced Power Electronics Interfaces for Distributed Energy Workshop Summary: August 24, 2006, Sacramento, California

    SciTech Connect

    Treanton, B.; Palomo, J.; Kroposki, B.; Thomas, H.

    2006-10-01

    The Advanced Power Electronics Interfaces for Distributed Energy Workshop, sponsored by the California Energy Commission Public Interest Energy Research program and organized by the National Renewable Energy Laboratory, was held Aug. 24, 2006, in Sacramento, Calif. The workshop provided a forum for industry stakeholders to share their knowledge and experience about technologies, manufacturing approaches, markets, and issues in power electronics for a range of distributed energy resources. It focused on the development of advanced power electronic interfaces for distributed energy applications and included discussions of modular power electronics, component manufacturing, and power electronic applications.

  9. Electrical power distribution control methods, electrical energy demand monitoring methods, and power management devices

    DOEpatents

    Chassin, David P.; Donnelly, Matthew K.; Dagle, Jeffery E.

    2011-12-06

    Electrical power distribution control methods, electrical energy demand monitoring methods, and power management devices are described. In one aspect, an electrical power distribution control method includes providing electrical energy from an electrical power distribution system, applying the electrical energy to a load, providing a plurality of different values for a threshold at a plurality of moments in time and corresponding to an electrical characteristic of the electrical energy, and adjusting an amount of the electrical energy applied to the load responsive to an electrical characteristic of the electrical energy triggering one of the values of the threshold at the respective moment in time.

  10. Electrical power distribution control methods, electrical energy demand monitoring methods, and power management devices

    DOEpatents

    Chassin, David P.; Donnelly, Matthew K.; Dagle, Jeffery E.

    2006-12-12

    Electrical power distribution control methods, electrical energy demand monitoring methods, and power management devices are described. In one aspect, an electrical power distribution control method includes providing electrical energy from an electrical power distribution system, applying the electrical energy to a load, providing a plurality of different values for a threshold at a plurality of moments in time and corresponding to an electrical characteristic of the electrical energy, and adjusting an amount of the electrical energy applied to the load responsive to an electrical characteristic of the electrical energy triggering one of the values of the threshold at the respective moment in time.

  11. Crystal Structures, Surface Stability, and Water Adsorption Energies of La-Bastnäsite via Density Functional Theory and Experimental Studies

    DOE PAGES

    Srinivasan, Sriram Goverapet; Shivaramaiah, Radha; Kent, Paul R. C.; Stack, Andrew G.; Navrotsky, Alexandra; Riman, Richard; Anderko, Andre; Bryantsev, Vyacheslav S.

    2016-07-11

    Bastnasite is a fluoro-carbonate mineral that is the largest source of rare earth elements such as Y, La and Ce. With increasing demand for REE in many emerging technologies, there is an urgent need for improving the efficiency of ore beneficiation by froth flotation. In order to design improved flotation agents that can selectively bind to the mineral surface, a fundamental understanding of the bulk and surface properties of bastnasite is essential. Density functional theory calculations using the PBEsol exchange correlation functional and the DFT-D3 dispersion correction reveal that the most stable form of La bastnsite is isomorphic to themore » structure of Ce bastnasite belonging to the P2c space group, while the Inorganic Crystal Structure Database structure in the P2m space group is ca. 11.3 kJ/mol higher in energy per LaFCO3 formula unit. We report powder X-ray diffraction measurements on synthetic of La bastnasite to support these theoretical findings. Six different surfaces are studied by DFT, namely [100], [0001], [101], [102], [104] and [112]. Among these, the [100] surface is the most stable with a surface energy of 0.73 J/m2 in vacuum and 0.45 J/m2 in aqueous solution. We predicted the shape of a La bastnasite nanoparticle via thermodynamic Wulff construction to be a hexagonal prism with [100] and [0001] facets, chiseled at its ends by the [101] and [102] facets. The average surface energy of the nanoparticle in the gas phase is estimated to be 0.86 J/m2, in good agreement with a value of 1.11 J/m2 measured by calorimetry. The calculated adsorption energy of a water molecule varies widely with the surface plane and specific adsorption sites on a given surface. Moreover, the first layer of water molecules is predicted to adsorb strongly on the La-bastnasite surface, in agreement with water adsorption calorimetry experiments. Our work provides an important step towards a detailed atomistic understanding of the bastnasite water interface and designing

  12. Lifetime optimization of wireless sensor network by a better nodes positioning and energy distribution

    NASA Astrophysics Data System (ADS)

    Lebreton, J. M.; Murad, N. M.

    2014-10-01

    The purpose of this paper is to propose a method of energy distribution on a Wireless Sensor Network (WSN). Nodes are randomly positioned and the sink is placed at the centre of the surface. Simulations show that relay nodes around the sink are too much requested to convey data, which substantially reduces their lifetime. So, several algorithmic solutions are presented to optimize the energy distribution on each node, compared to the classical uniform energy distribution. Their performance is discussed in terms of failure rate of data transmission and network lifetime. Moreover, the total energy distributed on all nodes before the deployment is invariable and some non-uniform energy distributions are created. Finally, simulations show that every energy distributions greatly improve the WSN lifetime and decrease the failure rate of data transmission.

  13. Adsorption of polar, nonpolar, and substituted aromatics to colloidal graphene oxide nanoparticles.

    PubMed

    Wang, Fang; Haftka, Joris J-H; Sinnige, Theo L; Hermens, Joop L M; Chen, Wei

    2014-03-01

    We conducted batch adsorption experiments to understand the adsorptive properties of colloidal graphene oxide nanoparticles (GONPs) for a range of environmentally relevant aromatics and substituted aromatics, including model nonpolar compounds (pyrene, phenanthrene, naphthalene, and 1,3-dichlorobenzene) and model polar compounds (1-naphthol, 1-naphthylamine, 2,4-dichlorophenol, and 2,4-dinitrotoluene). GONPs exhibited strong adsorption affinities for all the test compounds, with distribution coefficients on the order of 10(3)-10(6) L/kg. Adsorption to GONPs is much more linear than to carbon nanotubes (CNTs) and C60, likely because GO nanoflakes are essentially individually dispersed (rendering adsorption sites of similar adsorption energy) whereas CNT/C60 are prone to bundling/aggregation. For a given compound GONPs and CNTs often exhibit different adsorption affinities, which is attributable to the differences in both the morphology and surface chemistry between the two nanomaterials. Particularly, the high surface O-content of GONPs enables strong H-bonding and Lewis acid-base interactions with hydroxyl- and amino-substituted aromatics.

  14. Methane adsorption in nanoporous carbon: the numerical estimation of optimal storage conditions

    NASA Astrophysics Data System (ADS)

    Ortiz, L.; Kuchta, B.; Firlej, L.; Roth, M. W.; Wexler, C.

    2016-05-01

    The efficient storage and transportation of natural gas is one of the most important enabling technologies for use in energy applications. Adsorption in porous systems, which will allow the transportation of high-density fuel under low pressure, is one of the possible solutions. We present and discuss extensive grand canonical Monte Carlo (GCMC) simulation results of the adsorption of methane into slit-shaped graphitic pores of various widths (between 7 Å and 50 Å), and at pressures P between 0 bar and 360 bar. Our results shed light on the dependence of film structure on pore width and pressure. For large widths, we observe multi-layer adsorption at supercritical conditions, with excess amounts even at large distances from the pore walls originating from the attractive interaction exerted by a very high-density film in the first layer. We are also able to successfully model the experimental adsorption isotherms of heterogeneous activated carbon samples by means of an ensemble average of the pore widths, based exclusively on the pore-size distributions (PSD) calculated from subcritical nitrogen adsorption isotherms. Finally, we propose a new formula, based on the PSD ensemble averages, to calculate the isosteric heat of adsorption of heterogeneous systems from single-pore-width calculations. The methods proposed here will contribute to the rational design and optimization of future adsorption-based storage tanks.

  15. First principles derived, transferable force fields for CO2 adsorption in Na-exchanged cationic zeolites.

    PubMed

    Fang, Hanjun; Kamakoti, Preeti; Ravikovitch, Peter I; Aronson, Matthew; Paur, Charanjit; Sholl, David S

    2013-08-21

    The development of accurate force fields is vital for predicting adsorption in porous materials. Previously, we introduced a first principles-based transferable force field for CO2 adsorption in siliceous zeolites (Fang et al., J. Phys. Chem. C, 2012, 116, 10692). In this study, we extend our approach to CO2 adsorption in cationic zeolites which possess more complex structures. Na-exchanged zeolites are chosen for demonstrating the approach. These methods account for several structural complexities including Al distribution, cation positions and cation mobility, all of which are important for predicting adsorption. The simulation results are validated with high-resolution experimental measurements of isotherms and microcalorimetric heats of adsorption on well-characterized materials. The choice of first-principles method has a significant influence on the ability of force fields to accurately describe CO2-zeolite interactions. The PBE-D2 derived force field, which performed well for CO2 adsorption in siliceous zeolites, does not do so for Na-exchanged zeolites; the PBE-D2 method overestimates CO2 adsorption energies on multi-cation sites that are common in cationic zeolites with low Si/Al ratios. In contrast, a force field derived from the DFT/CC method performed well. Agreement was obtained between simulation and experiment not only for LTA-4A on which the force field fitting is based, but for other two common adsorbents, NaX and NaY.

  16. Development of a High-Speed Static Switch for Distributed Energy and Microgrid Applications

    SciTech Connect

    Kroposki, B.; Pink, C.; Lynch, J.; John, V.; Meor Daniel, S.; Benedict, E.; Vihinen, I.

    2007-01-01

    Distributed energy resources can provide power to local loads in the electric distribution system and benefits such as improved reliability. Microgrids are intentional islands formed at a facility or in an electrical distribution system that contains at least one distributed resource and associated loads. Microgrids that operate both electrical generation and loads in a coordinated manner can offer additional benefits to the customer and local utility. The loads and energy sources can be disconnected from and reconnected to the area or local utility with minimal disruption to the local loads, thereby improving reliability. This paper details the development and testing of a highspeed static switch for distributed energy and microgrid applications.

  17. Exploring the interfacial structure of protein adsorbates and the kinetics of protein adsorption: an in situ high-energy X-ray reflectivity study.

    PubMed

    Evers, Florian; Shokuie, Kaveh; Paulus, Michael; Sternemann, Christian; Czeslik, Claus; Tolan, Metin

    2008-09-16

    The high energy X-ray reflectivity technique has been applied to study the interfacial structure of protein adsorbates and protein adsorption kinetics in situ. For this purpose, the adsorption of lysozyme at the hydrophilic silica-water interface has been chosen as a model system. The structure of adsorbed lysozyme layers was probed for various aqueous solution conditions. The effect of solution pH and lysozyme concentration on the interfacial structure was measured. Monolayer formation was observed for all cases except for the highest concentration. The adsorbed protein layers consist of adsorbed lysozyme molecules with side-on or end-on orientation. By means of time-dependent X-ray reflectivity scans, the time-evolution of adsorbed proteins was monitored as well. The results of this study demonstrate the capabilities of in situ X-ray reflectivity experiments on protein adsorbates. The great advantages of this method are the broad wave vector range available and the high time resolution.

  18. Exploring the interfacial structure of protein adsorbates and the kinetics of protein adsorption: an in situ high-energy X-ray reflectivity study.

    PubMed

    Evers, Florian; Shokuie, Kaveh; Paulus, Michael; Sternemann, Christian; Czeslik, Claus; Tolan, Metin

    2008-09-16

    The high energy X-ray reflectivity technique has been applied to study the interfacial structure of protein adsorbates and protein adsorption kinetics in situ. For this purpose, the adsorption of lysozyme at the hydrophilic silica-water interface has been chosen as a model system. The structure of adsorbed lysozyme layers was probed for various aqueous solution conditions. The effect of solution pH and lysozyme concentration on the interfacial structure was measured. Monolayer formation was observed for all cases except for the highest concentration. The adsorbed protein layers consist of adsorbed lysozyme molecules with side-on or end-on orientation. By means of time-dependent X-ray reflectivity scans, the time-evolution of adsorbed proteins was monitored as well. The results of this study demonstrate the capabilities of in situ X-ray reflectivity experiments on protein adsorbates. The great advantages of this method are the broad wave vector range available and the high time resolution. PMID:18715021

  19. An adsorption model of the heterogeneous nucleation of solidification

    SciTech Connect

    Kim, W.T.; Cantor, B. . Oxford Centre for Advanced Materials and Composites)

    1994-09-01

    An adsorption model has been developed to describe the heterogeneous nucleation of solidification in an A-B eutectic or monotectic alloy system. The interface between A-rich [alpha] solid and B-rich liquid is treated as a mixture of A solid, B solid, A liquid and B liquid atoms, randomly distributed as a monolayer between the two phases. The interfacial energy is calculated by summing pairwise bonding energies, and is then minimized to determine the equilibrium interface solid fraction and composition. With decreasing temperature, the interface monolayer changes sharply from liquid to solid, with a composition close to pure B. This sharp onset of interface adsorption of solid B atoms corresponds to [alpha] acting as a catalyst for the heterogeneous nucleation of B-rich [beta] solid. Adsorption close to the eutectic temperature and therefore efficient nucleation catalysis is promoted by a large difference between the melting points of A and B, and a small difference between the solid and liquid immiscibilities of A and B. Predicted undercoolings for the onset of adsorption and nucleation catalysis can be obtained directly from simple phase diagram data, and give good agreement with previous measurements in the Ag-Pb and Al-Sn alloy systems.

  20. Energy Distribution of the Bianchi Type i Solution

    NASA Astrophysics Data System (ADS)

    Radinschi, Irina

    We calculate the energy of an anisotropic model of universe based on the Bianchi type I metric in the Mo ller prescription. The total energy due to the matter and gravitational field is zero. This result supports the importance of the energy-momentum complexes in the localization of energy.

  1. The Effect of Distributed Energy Resource Competition with Central Generation

    SciTech Connect

    Hadley, SW

    2003-12-10

    Distributed Energy Resource (DER) has been touted as a clean and efficient way to generate electricity at end-use sites, potentially allowing the exhaust heat to be put to good use as well. However, despite its environmental acceptability compared to many other types of generation, it has faced some disapproval because it may displace other, cleaner generation technologies. The end result could be more pollution than if the DER were not deployed. On the other hand, the DER may be competing against older power plants. If the DER is built then these other plants may be retired sooner, reducing their emissions. Or it may be that DER does not directly compete against either new or old plant capacity at the decision-maker level, and increased DER simply reduces the amount of time various plants operate. The key factor is what gets displaced if DER is added. For every kWh made by DER a kWh (or more with losses) of other production is not made. If enough DER is created, some power plants will get retired or not get built so not only their production but their capacity is displaced. Various characteristics of the power system in a region will influence how DER impacts the operation of the grid. The growth in demand in the region may influence whether new plants are postponed or old plants retired. The generation mix, including the fuel types, efficiencies, and emission characteristics of the plants in the region will factor into the overall competition. And public policies such as ease of new construction, emissions regulations, and fuel availability will also come into consideration.

  2. Modelling and interpreting spectral energy distributions of galaxies with BEAGLE

    NASA Astrophysics Data System (ADS)

    Chevallard, Jacopo; Charlot, Stéphane

    2016-10-01

    We present a new-generation tool to model and interpret spectral energy distributions (SEDs) of galaxies, which incorporates in a consistent way the production of radiation and its transfer through the interstellar and intergalactic media. This flexible tool, named BEAGLE (for BayEsian Analysis of GaLaxy sEds), allows one to build mock galaxy catalogues as well as to interpret any combination of photometric and spectroscopic galaxy observations in terms of physical parameters. The current version of the tool includes versatile modelling of the emission from stars and photoionized gas, attenuation by dust and accounting for different instrumental effects, such as spectroscopic flux calibration and line spread function. We show a first application of the BEAGLE tool to the interpretation of broad-band SEDs of a published sample of ˜ 10^4 galaxies at redshifts 0.1 ≲ z ≲ 8. We find that the constraints derived on photometric redshifts using this multipurpose tool are comparable to those obtained using public, dedicated photometric-redshift codes and quantify this result in a rigorous statistical way. We also show how the post-processing of BEAGLE output data with the PYTHON extension PYP-BEAGLE allows the characterization of systematic deviations between models and observations, in particular through posterior predictive checks. The modular design of the BEAGLE tool allows easy extensions to incorporate, for example, the absorption by neutral galactic and circumgalactic gas, and the emission from an active galactic nucleus, dust and shock-ionized gas. Information about public releases of the BEAGLE tool will be maintained on http://www.jacopochevallard.org/beagle.

  3. Constructing and Analyzing Spectral Energy Distributions with the Virtual Observatory

    NASA Astrophysics Data System (ADS)

    Laurino, Omar; Busko, I.; Cresitello-Dittmar, M.; D'Abrusco, R.; Doe, S.; Evans, J.; Pevunova, O.; Norris, P.

    2013-01-01

    Spectral energy distributions (SEDs) are a common and useful means of assessing the relative contributions of different emission processes occurring within an object. Iris, the Virtual Astronomical Observatory (VAO) SED tool, seamlessly combines key features of several existing astronomical software applications to streamline and enhance the SED analysis process. With Iris, users may build and display SEDs, browse data and metadata and apply filters to them, fit models to SEDs, and calculate confidence limits on best-fit parameters. SED data may be built from a number of sources using the SED Builder. Iris supports the Simple Application Messaging Protocol for interoperability with other Virtual Observatory applications, like the VAO Data Discovery tool, and can directly fetch SEDs from the NASA Extragalactic Database SED service. Particular attention has been paid to the integration of user spectrophotometric data from files in several different formats. File readers for custom formats can be provided at runtime, as well as custom models to fit the data, as template libraries for template fitting or arbitrary python functions. New functionalities can be added by installing plugins, i.e. third party components that are developed using the Iris Software Development Kit. The VAO was established as a partnership of the Associated Universities, Inc. and the Association of Universities for Research in Astronomy, Inc. Iris Individual components have also been supported by the National Aeronautics and Space Administration (NASA) through the Chandra X-ray Center, which is operated by the Smithsonian Astrophysical Observatory for and on behalf of the NASA contract NAS8-03060, and by the Space Telescope Science Institute, operated by the Association of Universities for Research in Astronomy, Inc., under NASA contract NAS5-26555. This research has made use of the NASA/IPAC Extragalactic Database which is operated by the Jet Propulsion Laboratory, California Institute of

  4. Variations of Low-energy Ion Distributions Measured in the Heliosheath

    SciTech Connect

    Decker, R. B.; Roelof, E. C.; Hill, M. E.; Krimigis, S. M.

    2010-12-30

    This report is an update of low-energy ion intensities and angular distributions measured recently by the Low Energy Charged Particle instruments on the Voyager 1 and 2 spacecraft in the inner heliosheath.

  5. Surface heterogeneity analysis of MCM-41 metallosilicates by using nitrogen adsorption data

    SciTech Connect

    Kruk, M.; Jaroniec, M.; Sayari, A.

    1999-08-31

    MCM-41 silicas with framework-incorporated aluminum and boron heteroatoms were studied using nitrogen adsorption at 77K over a wide range of relative pressures. It was shown that despite significant differences in surface area, pore sizes, and widths of pore size distributions, the framework-substituted MCM-41 materials studied exhibited very similar low-pressure relative adsorption curves and adsorption energy distributions. This indicates that the presence of heteroatoms does not lead to significant changes in the surface properties with respect to nitrogen molecules. However, small but detectable and systematic changes in the low-pressure adsorption were observed for two series of samples with different contents of heteroatoms prepared under similar conditions. It was concluded that low-pressure nitrogen adsorption exhibits rather low sensitivity toward framework-incorporated aluminum and boron heteroatoms, but it may provide some information about contents of heteroatoms for samples prepared under the same conditions. Because of the similarity of nitrogen adsorption processes on surfaces of siliceous ordered mesoporous materials with and without framework-substituted heteroatoms, the methods of micropore analysis (e.g., the comparative plot method) and mesopore size analysis developed and/or calibrated for pure-silica materials are expected to be fully applicable for samples with different kinds of incorporated heteroatoms.

  6. Logistic distributed activation energy model--Part 1: Derivation and numerical parametric study.

    PubMed

    Cai, Junmeng; Jin, Chuan; Yang, Songyuan; Chen, Yong

    2011-01-01

    A new distributed activation energy model is presented using the logistic distribution to mathematically represent the pyrolysis kinetics of complex solid fuels. A numerical parametric study of the logistic distributed activation energy model is conducted to evaluate the influences of the model parameters on the numerical results of the model. The parameters studied include the heating rate, reaction order, frequency factor, mean of the logistic activation energy distribution, standard deviation of the logistic activation energy distribution. The parametric study addresses the dependence on the forms of the calculated α-T and dα/dT-T curves (α: reaction conversion, T: temperature). The study results would be very helpful to the application of the logistic distributed activation energy model, which is the main subject of the next part of this series.

  7. Interfacial adsorption in ternary alloys

    SciTech Connect

    Huang, C.; Cruz, M.O. de la; Voorhees, P.W.

    1999-11-26

    Interfaces of A-B-C ternary alloys decomposed into two and three phases are studied. The effect of the gradient energy coefficients {bar {kappa}}{sub II}, I = A, B, C, on the interface composition profiles of ternary alloys is examined. The adsorption of component C in ternary alloys is obtained numerically by finding steady-state solutions of the nonlinear Cahn-Hilliard equations and by solving the two Euler-Lagrange equations resulting from minimizing the interfacial energy, and analytically near the critical point. It is found that the solutions from both numerical methods are identical for a two-phase system. In symmetric ternary systems (equal interaction energy between each pair of components) with a minority component C, the gradient energy coefficient of C, {bar {kappa}}{sub CC}, can have a very strong influence on the degree of adsorption. In the {alpha} and {beta} two-phase regions, where {alpha} and {beta} are the phases rich in the majority components A and B, respectively, as {bar {kappa}}{sub CC} increases, the adsorption of the minority component C in the {alpha} and {beta} interfaces decreases. Near a critical point, however, the degree of adsorption of minority component C is independent of the gradient energy coefficient.

  8. Protein adsorption on a hydrophobic surface: a molecular dynamics study of lysozyme on graphite.

    PubMed

    Raffaini, Giuseppina; Ganazzoli, Fabio

    2010-04-20

    Adsorption of human lysozyme on hydrophobic graphite is investigated through atomistic computer simulations with molecular mechanics (MM) and molecular dynamics (MD) techniques. The chosen strategy follows a simulation protocol proposed by the authors to model the initial and the final adsorption stage on a bare surface. Adopting an implicit solvent and considering 10 starting molecular orientations so that all the main sides of the protein can face the surface, we first carry out an energy minimization to investigate the initial adsorption stage, and then long MD runs of selected arrangements to follow the surface spreading of the protein maximizing its adsorption strength. The results are discussed in terms of the kinetics of surface spreading, the interaction energy, and the molecular size, considering both the footprint and the final thickness of the adsorbed protein. The structural implications of the final adsorption geometry for surface aggregation and nanoscale structural organization are also pointed out. Further MD runs are carried out in explicit water for the native structure and the most stable adsorption state to assess the local stability of the geometry obtained in implicit solvent, and to calculate the statistical distribution of the water molecules around the whole lysozyme and its backbone.

  9. The adsorption properties of CO molecules on single-layer graphene nanoribbons

    SciTech Connect

    Yi, Chenglong; Wang, Weidong Shen, Cuili

    2014-03-15

    The adsorption properties of CO molecules on graphene nanoribbons (GRNs) are studied through the molecular dynamics (MD) method. The AIREBO and LJ potentials are used to describe the C-C bonds in GNR and the interactions between the carbon atoms in GNR and CO molecules, respectively. The influences of the environmental pressure and charge density on the adsorption properties of CO molecules on GRNs are taken into account in this study. The effects of charges carried by GNRs on the adsorption properties are investigated in two aspects: atom distribution and energy evolution. Its observation from the results shows that the Coulomb force plays a more important role in the adsorption phenomenon than the van der Waals force, and the higher the charge density is, the larger the amount of the adsorbed CO molecules becomes. Low charge densities (<3.291 C/m{sup 2}) do little for the system, that is to say, the GNRs present similar properties to the ones with no charges. However, relatively high charge densities (>4.937 C/m{sup 2}) have an obvious effect on the whole system. The results also indicate that the environmental pressure has great influence on the adsorption properties of COs on GRN, and the higher the pressure is, the greater the adsorption energy becomes.

  10. Dibenzothiophene adsorption at boron doped carbon nanoribbons studied within density functional theory

    SciTech Connect

    López-Albarrán, P.; Navarro-Santos, P.; Garcia-Ramirez, M. A.; Ricardo-Chávez, J. L.

    2015-06-21

    The adsorption of dibenzothiophene (DBT) on bare and boron-doped armchair carbon nanoribbons (ACNRs) is being investigated in the framework of the density functional theory by implementing periodic boundary conditions that include corrections from dispersion interactions. The reactivity of the ACNRs is characterized by using the Fukui functions as well as the electrostatic potential as local descriptors. Non-covalent adsorption mechanism is found when using the local Perdew-Becke-Ernzerhof functional, regardless of the DBT orientation and adsorption location. The dispersion interactions addition is a milestone to describe the adsorption process. The charge defects introduced in small number (i.e., by doping with B atoms), within the ACNRs increases the selectivity towards sulfur mainly due to the charge depletion at B sites. The DBT magnitude in the adsorption energy shows non-covalent interactions. As a consequence, the configurations where the DBT is adsorbed on a BC{sub 3} island increase the adsorption energy compared to random B arrangements. The stability of these configurations can be explained satisfactorily in terms of dipole interactions. Nevertheless, from the charge-density difference analysis and the weak Bader charge-distribution interactions cannot be ruled out completely. This is why the electronic properties of the ribbons are analyzed in order to elucidate the key role played by the B and DBT states in the adsorbed configurations.

  11. MEAN SPECTRAL ENERGY DISTRIBUTIONS AND BOLOMETRIC CORRECTIONS FOR LUMINOUS QUASARS

    SciTech Connect

    Krawczyk, Coleman M.; Richards, Gordon T.; Mehta, Sajjan S.; Vogeley, Michael S.; Gallagher, S. C.; Leighly, Karen M.; Ross, Nicholas P.; Schneider, Donald P.

    2013-05-01

    We explore the mid-infrared (mid-IR) through ultraviolet (UV) spectral energy distributions (SEDs) of 119,652 luminous broad-lined quasars with 0.064 < z < 5.46 using mid-IR data from Spitzer and WISE, near-infrared data from the Two Micron All Sky Survey and UKIDSS, optical data from the Sloan Digital Sky Survey, and UV data from the Galaxy Evolution Explorer. The mean SED requires a bolometric correction (relative to 2500 A) of BC{sub 2500A} =2.75 {+-} 0.40 using the integrated light from 1 {mu}m-2 keV, and we further explore the range of bolometric corrections exhibited by individual objects. In addition, we investigate the dependence of the mean SED on various parameters, particularly the UV luminosity for quasars with 0.5 {approx}< z {approx}< 3 and the properties of the UV emission lines for quasars with z {approx}> 1.6; the latter is a possible indicator of the strength of the accretion disk wind, which is expected to be SED-dependent. Luminosity-dependent mean SEDs show that, relative to the high-luminosity SED, low-luminosity SEDs exhibit a harder (bluer) far-UV spectral slope ({alpha}{sub UV}), a redder optical continuum, and less hot dust. Mean SEDs constructed instead as a function of UV emission line properties reveal changes that are consistent with known Principal Component Analysis trends. A potentially important contribution to the bolometric correction is the unseen extreme UV (EUV) continuum. Our work suggests that lower-luminosity quasars and/or quasars with disk-dominated broad emission lines may require an extra continuum component in the EUV that is not present (or much weaker) in high-luminosity quasars with strong accretion disk winds. As such, we consider four possible models and explore the resulting bolometric corrections. Understanding these various SED-dependent effects will be important for accurate determination of quasar accretion rates.

  12. The Spectral Energy Distribution of the Coldest Known Brown Dwarf

    NASA Astrophysics Data System (ADS)

    Luhman, K. L.; Esplin, T. L.

    2016-09-01

    WISE J085510.83–071442.5 (hereafter WISE 0855–0714) is the coldest known brown dwarf (∼250 K) and the fourth-closest known system to the Sun (2.2 pc). It has been previously detected only in the J band and two mid-IR bands. To better measure its spectral energy distribution (SED), we have performed deep imaging of WISE 0855–0714 in six optical and near-IR bands with Gemini Observatory, the Very Large Telescope, and the Hubble Space Telescope. Five of the bands show detections, although one detection is marginal (S/N ∼ 3). We also have obtained two epochs of images with the Spitzer Space Telescope for use in refining the parallax of the brown dwarf. By combining astrometry from this work and previous studies, we have derived a parallax of 0.449 ± 0.008″ (2.23 ± 0.04 pc). We have compared our photometry for WISE 0855–0714 to data for known Y dwarfs and to the predictions of three suites of models by Saumon et al. and Morley et al. that are defined by the presence or absence of clouds and nonequilibrium chemistry. Our estimates of Y ‑ J and J ‑ H for WISE 0855–0714 are redder than colors of other Y dwarfs, confirming a predicted reversal of near-IR colors to redder values at temperatures below 300–400 K. In color–magnitude diagrams, no single suite of models provides a clearly superior match to the sequence formed by WISE 0855–0714 and other Y dwarfs. Instead, the best-fitting model changes from one diagram to the next. Similarly, all of the models have substantial differences from the SED of WISE 0855–0714. As a result, we are currently unable to constrain the presence of clouds or nonequilibrium chemistry in its atmosphere. Based on observations made with the Spitzer Space Telescope, the NASA/ESA Hubble Space Telescope, Gemini Observatory, and the ESO Telescopes at Paranal Observatory.

  13. The Spectral Energy Distribution of the Coldest Known Brown Dwarf

    NASA Astrophysics Data System (ADS)

    Luhman, K. L.; Esplin, T. L.

    2016-09-01

    WISE J085510.83-071442.5 (hereafter WISE 0855-0714) is the coldest known brown dwarf (˜250 K) and the fourth-closest known system to the Sun (2.2 pc). It has been previously detected only in the J band and two mid-IR bands. To better measure its spectral energy distribution (SED), we have performed deep imaging of WISE 0855-0714 in six optical and near-IR bands with Gemini Observatory, the Very Large Telescope, and the Hubble Space Telescope. Five of the bands show detections, although one detection is marginal (S/N ˜ 3). We also have obtained two epochs of images with the Spitzer Space Telescope for use in refining the parallax of the brown dwarf. By combining astrometry from this work and previous studies, we have derived a parallax of 0.449 ± 0.008″ (2.23 ± 0.04 pc). We have compared our photometry for WISE 0855-0714 to data for known Y dwarfs and to the predictions of three suites of models by Saumon et al. and Morley et al. that are defined by the presence or absence of clouds and nonequilibrium chemistry. Our estimates of Y - J and J - H for WISE 0855-0714 are redder than colors of other Y dwarfs, confirming a predicted reversal of near-IR colors to redder values at temperatures below 300-400 K. In color-magnitude diagrams, no single suite of models provides a clearly superior match to the sequence formed by WISE 0855-0714 and other Y dwarfs. Instead, the best-fitting model changes from one diagram to the next. Similarly, all of the models have substantial differences from the SED of WISE 0855-0714. As a result, we are currently unable to constrain the presence of clouds or nonequilibrium chemistry in its atmosphere. Based on observations made with the Spitzer Space Telescope, the NASA/ESA Hubble Space Telescope, Gemini Observatory, and the ESO Telescopes at Paranal Observatory.

  14. Ion energy distributions and densities in the plume of Enceladus

    NASA Astrophysics Data System (ADS)

    Sakai, Shotaro; Cravens, Thomas E.; Omidi, Nojan; Perry, Mark E.; Waite, J. Hunter

    2016-10-01

    Enceladus has a dynamic plume that is emitting gas, including water vapor, and dust. The gas is ionized by solar EUV radiation, charge exchange, and electron impact and extends throughout the inner magnetosphere of Saturn. The charge exchange collisions alter the plasma composition. Ice grains (dust) escape from the vicinity of Enceladus and form the E ring, including a portion that is negatively charged by the local plasma. The inner magnetosphere within 10 RS (Saturn radii) contains a complex mixture of plasma, neutral gas, and dust that links back to Enceladus. In this paper we investigate the energy distributions, ion species and densities of water group ions in the plume of Enceladus using test particle and Monte Carlo methods that include collisional processes such as charge exchange and ion-neutral chemical reactions. Ion observations from the Cassini Ion and Neutral Mass Spectrometer (INMS) for E07 are presented for the first time. We use the modeling results to interpret observations made by the Cassini Plasma Spectrometer (CAPS) and the INMS. The low energy ions, as observed by CAPS, appear to be affected by a vertical electric field (EZ=-10 μV/m) in the plume. The EZ field may be associated with the charged dust and/or the pressure gradient of plasma. The model results, along with the results of earlier models, show that H3O+ ions created by chemistry are predominant in the plume, which agrees with INMS and CAPS data, but the INMS count rate in the plume for the model is several times greater than the data, which we do not fully understand. This composition and the total ion count found in the plume agree with INMS and CAPS data. On the other hand, the Cassini Langmuir Probe measured a maximum plume ion density more than 30,000 cm-3, which is far larger than the maximum ion density from our model, 900 cm-3. The model results also demonstrate that most of the ions in the plume are from the external magnetospheric flow and are not generated by local

  15. Energy distribution functions of kilovolt ions in a modified Penning discharge

    NASA Technical Reports Server (NTRS)

    Roth, J. R.

    1972-01-01

    The distribution function of ion energy parallel to the magnetic field of a Penning discharge was measured with a retarding potential energy analyzer. Simultaneous measurements of the ion energy distribution function perpendicular to the magnetic field were made with a charge-exchange neutral detector. The ion energy distribution functions are approximately Maxwellian, and their kinetic temperatures are equal within experimental error. This suggests that turbulent processes previously observed Maxwellianize the velocity distribution along a radius in velocity space, and result in an isotropic energy distribution. The kinetic temperatures are on the order of kilovolts, and the tails of the ion energy distribution functions are Maxwellian up to a factor of 7 e-folds in energy. When the distributions depart from Maxwellian, they are enhanced above the Maxwellian tail. Above densities of about 10 to the 10th power particles/cc, this enhancement appears to be the result of a second, higher temperature Maxwellian distribution. At these high particle energies, only the ions perpendicular to the magnetic field lines were investigated.

  16. Low-energy ion distribution functions on a magnetically quiet day at geostationary altitude /L = 7/

    NASA Technical Reports Server (NTRS)

    Singh, N.; Raitt, W. J.; Yasuhara, F.

    1982-01-01

    Ion energy and pitch angle distribution functions are examined for a magnetically quiet day using averaged data from ATS 6. For both field-aligned and perpendicular fluxes, the populations have a mixture of characteristic energies, and the distribution functions can be fairly well approximated by Maxwellian distributions over three different energy bands in the range 3-600 eV. Pitch angle distributions varying with local time, and energy distributions are used to compute total ion density. Pitch angle scattering mechanisms responsible for the observed transformation of pitch angle distribution are examined, and it is found that a magnetic noise of a certain power spectral density belonging to the electromagnetic ion cyclotron mode near the ion cyclotron frequency can be effective in trapping the field aligned fluxes by pitch angle scattering.

  17. Measurements and Monte Carlo calculations of photon energy distributions in MAYAK PA workplaces.

    PubMed

    Smetanin, M; Vasilenko, E; Semenov, M; Xanthos, S; Takoudis, G; Clouvas, A; Silva, J; Potiriadis, C

    2008-01-01

    Photon energy distributions were measured in different workplaces of the Mayak Production Association (MPA), which was the first plutonium production plant in the former Soviet Union. In situ gamma spectrometry measurements were performed with a portable germanium detector. The spectral stripping method is used for the conversion of the in situ gamma-ray spectra to photon fluence rate energy distribution. This method requires the simulation of the portable germanium detector, which has been performed based on the MCNP code of Los Alamos. Measured photon fluence rate energy distributions were compared with calculated photon energy distributions (with the MCNP code) in two different workplaces: in the first workplace the geometry exposure was known. On the contrary, in the second workplace, as in most workplaces of MPA, the exposure geometry was unknown. The results obtained from the comparison between the experimental and calculated photon fluence rate energy distributions are presented and discussed. PMID:18682405

  18. Glucose oxidase adsorption performance of carbonaceous mesocellular foams prepared with different carbon sources.

    PubMed

    Zhou, Fengjiao; Pu, Ximing; Luo, Dapeng; Yin, Guangfu; Zhuang, Kai; Liao, Xiaoming; Huang, Zhongbin; Chen, Xianchun; Yao, Yadong

    2015-07-01

    Several carbonaceous mesocellular foams (C-MCFs) were prepared with MCF-silica as template using the carbon precursors of sucrose, furfuryl alcohol and lab-made phenolic resin, and the corresponding C-MCFs were named as C-MCF-Suc, C-MCF-FA and C-MCF-PR, respectively. The results of SEM, transmission electron microscopy, N2 adsorption-desorption and energy-dispersive X-ray measurements indicated that the C-MCFs prepared from different carbon source appeared morphologically with different degree of order and different pore distribution. The C-MCF-FA exhibited the highest ordered structure and the smallest pore distribution among the foams. The optimum conditions for adsorption of C-MCFs on glucose oxidase (GOD) were also studied, and the maximum adsorbance was determined. The adsorption of GOD on C-MCF-FA was performed at different pH with different GOD concentrations. The maximum adsorption (423.3 mg g(-1)) was observed near the isoelectric point of the GOD (pI ≈ 5.0) with a GOD concentration of 6.0 mg mL(-1), suggesting that the GOD adsorption on C-MCFs might be affected strongly by the electric repulsion between the GOD molecules. Moreover, GOD adsorption performances on different C-MCFs revealed that both the pore size and the pore volume played important roles in the adsorption process, and the window size of C-MCFs dominated the residual immobilized amounts of GOD. Compared to the other two C-MCFs, the C-MCF-FA with a smaller window pore (10 nm) and higher volume (1.40 cm(3) g(-1)) exhibited the highest GOD adsorption and catalytic activity. Furthermore, the immobilized GOD exhibited improved thermal and storable stabilities. Thus the C-MCF-FA could be served as the prospective GOD carrier material used in enzymatic fuel cells.

  19. Adsorption kinetics of methyl violet onto perlite.

    PubMed

    Doğan, Mehmet; Alkan, Mahir

    2003-01-01

    This study examines adsorption kinetics and activation parameters of methyl violet on perlite. The effect of process parameters like contact time, concentration of dye, temperature and pH on the extent of methyl violet adsorption from solution has been investigated. Results of the kinetic studies show that the adsorption reaction is first order with respect to dye solution concentration with activation energy of 13.2 kJ mol(-1). This low activation energy value indicates that the adsorption reaction is diffusion controlled. The activation parameters using Arrhenius and Eyring equations have been calculated. Adsorption increases with increase of variables such as contact time, initial dye concentration, temperature and pH.

  20. VAR Support from Distributed Wind Energy Resources: Preprint

    SciTech Connect

    Romanowitz, H.; Muljadi, E.; Butterfield, C. P.; Yinger, R.

    2004-07-01

    As the size and quantity of wind farms and other distributed generation facilities increase, especially in relation to local grids, the importance of a reactive power compensator or VAR support from these facilities becomes more significant. Poorly done, it can result in cycling or inadequate VAR support, and the local grid could experience excessive voltage regulation and, ultimately, instability. Improved wind turbine and distributed generation power control technologies are creating VAR support capabilities that can be used to enhance the voltage regulation and stability of local grids. Locating VAR support near the point of consumption, reducing step size, and making the control active all improve the performance of the grid. This paper presents and discusses alternatives for improving the integration of VAR support from distributed generation facilities such as wind farms. We also examine the relative effectiveness of distributed VAR support on the local grid and how it can b e integrated with the VAR support of the grid operator.

  1. Energy storage management system with distributed wireless sensors

    SciTech Connect

    Farmer, Joseph C.; Bandhauer, Todd M.

    2015-12-08

    An energy storage system having a multiple different types of energy storage and conversion devices. Each device is equipped with one or more sensors and RFID tags to communicate sensor information wirelessly to a central electronic management system, which is used to control the operation of each device. Each device can have multiple RFID tags and sensor types. Several energy storage and conversion devices can be combined.

  2. Terminal energy distribution of blast waves from bursting spheres

    NASA Technical Reports Server (NTRS)

    Adamczyk, A. A.; Strehlow, R. A.

    1977-01-01

    The calculation results for the total energy delivered to the surroundings by the burst of an idealized massless sphere containing an ideal gas are presented. The logic development of various formulas for sphere energy is also presented. For all types of sphere bursts the fraction of the total initial energy available in the sphere that is delivered to the surroundings is shown to lie between that delivered for the constant pressure addition of energy to a source region and that delivered by isentropic expansion of the sphere. The relative value of E sub/Q increases at fixed sphere pressure/surrounding pressure as sphere temperature increases because the velocity of sound increases.

  3. Measurement of energy distribution in flowing hydrogen microwave plasmas

    NASA Technical Reports Server (NTRS)

    Chapman, R.; Morin, T.; Finzel, M.; Hawley, M. C.

    1985-01-01

    An electrothermal propulsion concept utilizing a microwave plasma system as the mechanism to convert electromagnetic energy into kinetic energy of a flowing gas is investigated. A calorimetry system enclosing a microwave plasma system has been developed to accurately measure the energy inputs and outputs of the microwave plasma system. The rate of energy transferred to the gas can be determined to within + or - 1.8 W from an energy balance around the microwave plasma system. The percentage of the power absorbed by the microwave plasma system transferred to the hydrogen gas as it flows through the system is found to increase with the increasing flow rate, to decrease with the increasing pressure, and to be independent of the absorbed power. An upper bound for the hydrogen gas temperature is estimated from the energy content, heat capacity, and flow rate of the gas stream. A lower bound for an overall heat-transfer coefficient is then calculated, characterizing the energy loss from the hydrogen gas stream to the air cooling of the plasma discharge tube wall. The heat-transfer coefficient is found to increase with the increasing flow rate and pressure and to be independent of the absorbed power. This result indicates that a convective-type mechanism is responsible for the energy transfer.

  4. Electrical swing adsorption gas storage and delivery system

    DOEpatents

    Judkins, Roddie R.; Burchell, Timothy D.

    1999-01-01

    Systems and methods for electrical swing natural gas adsorption are described. An apparatus includes a pressure vessel; an electrically conductive gas adsorptive material located within the pressure vessel; and an electric power supply electrically connected to said adsorptive material. The adsorptive material can be a carbon fiber composite molecular sieve (CFCMS). The systems and methods provide advantages in that both a high energy density and a high ratio of delivered to stored gas are provided.

  5. Electrical swing adsorption gas storage and delivery system

    DOEpatents

    Judkins, R.R.; Burchell, T.D.

    1999-06-15

    Systems and methods for electrical swing natural gas adsorption are described. An apparatus includes a pressure vessel; an electrically conductive gas adsorptive material located within the pressure vessel; and an electric power supply electrically connected to said adsorptive material. The adsorptive material can be a carbon fiber composite molecular sieve (CFCMS). The systems and methods provide advantages in that both a high energy density and a high ratio of delivered to stored gas are provided. 5 figs.

  6. Model for radial dependence of frequency distributions for energy imparted in nanometer volumes from HZE particles

    NASA Technical Reports Server (NTRS)

    Cucinotta, F. A.; Nikjoo, H.; Goodhead, D. T.; Decillo, J. F. (Principal Investigator)

    2000-01-01

    This paper develops a deterministic model of frequency distributions for energy imparted (total energy deposition) in small volumes similar to DNA molecules from high-energy ions of interest for space radiation protection and cancer therapy. Frequency distributions for energy imparted are useful for considering radiation quality and for modeling biological damage produced by ionizing radiation. For high-energy ions, secondary electron (delta-ray) tracks originating from a primary ion track make dominant contributions to energy deposition events in small volumes. Our method uses the distribution of electrons produced about an ion's path and incorporates results from Monte Carlo simulation of electron tracks to predict frequency distributions for ions, including their dependence on radial distance. The contribution from primary ion events is treated using an impact parameter formalism of spatially restricted linear energy transfer (LET) and energy-transfer straggling. We validate our model by comparing it directly to results from Monte Carlo simulations for proton and alpha-particle tracks. We show for the first time frequency distributions of energy imparted in DNA structures by several high-energy ions such as cosmic-ray iron ions. Our comparison with results from Monte Carlo simulations at low energies indicates the accuracy of the method.

  7. Model for radial dependence of frequency distributions for energy imparted in nanometer volumes from HZE particles.

    PubMed

    Cucinotta, F A; Nikjoo, H; Goodhead, D T

    2000-04-01

    This paper develops a deterministic model of frequency distributions for energy imparted (total energy deposition) in small volumes similar to DNA molecules from high-energy ions of interest for space radiation protection and cancer therapy. Frequency distributions for energy imparted are useful for considering radiation quality and for modeling biological damage produced by ionizing radiation. For high-energy ions, secondary electron (delta-ray) tracks originating from a primary ion track make dominant contributions to energy deposition events in small volumes. Our method uses the distribution of electrons produced about an ion's path and incorporates results from Monte Carlo simulation of electron tracks to predict frequency distributions for ions, including their dependence on radial distance. The contribution from primary ion events is treated using an impact parameter formalism of spatially restricted linear energy transfer (LET) and energy-transfer straggling. We validate our model by comparing it directly to results from Monte Carlo simulations for proton and alpha-particle tracks. We show for the first time frequency distributions of energy imparted in DNA structures by several high-energy ions such as cosmic-ray iron ions. Our comparison with results from Monte Carlo simulations at low energies indicates the accuracy of the method. PMID:10761008

  8. Bayes Node Energy Polynomial Distribution to Improve Routing in Wireless Sensor Network.

    PubMed

    Palanisamy, Thirumoorthy; Krishnasamy, Karthikeyan N

    2015-01-01

    Wireless Sensor Network monitor and control the physical world via large number of small, low-priced sensor nodes. Existing method on Wireless Sensor Network (WSN) presented sensed data communication through continuous data collection resulting in higher delay and energy consumption. To conquer the routing issue and reduce energy drain rate, Bayes Node Energy and Polynomial Distribution (BNEPD) technique is introduced with energy aware routing in the wireless sensor network. The Bayes Node Energy Distribution initially distributes the sensor nodes that detect an object of similar event (i.e., temperature, pressure, flow) into specific regions with the application of Bayes rule. The object detection of similar events is accomplished based on the bayes probabilities and is sent to the sink node resulting in minimizing the energy consumption. Next, the Polynomial Regression Function is applied to the target object of similar events considered for different sensors are combined. They are based on the minimum and maximum value of object events and are transferred to the sink node. Finally, the Poly Distribute algorithm effectively distributes the sensor nodes. The energy efficient routing path for each sensor nodes are created by data aggregation at the sink based on polynomial regression function which reduces the energy drain rate with minimum communication overhead. Experimental performance is evaluated using Dodgers Loop Sensor Data Set from UCI repository. Simulation results show that the proposed distribution algorithm significantly reduce the node energy drain rate and ensure fairness among different users reducing the communication overhead. PMID:26426701

  9. Bayes Node Energy Polynomial Distribution to Improve Routing in Wireless Sensor Network

    PubMed Central

    Palanisamy, Thirumoorthy; Krishnasamy, Karthikeyan N.

    2015-01-01

    Wireless Sensor Network monitor and control the physical world via large number of small, low-priced sensor nodes. Existing method on Wireless Sensor Network (WSN) presented sensed data communication through continuous data collection resulting in higher delay and energy consumption. To conquer the routing issue and reduce energy drain rate, Bayes Node Energy and Polynomial Distribution (BNEPD) technique is introduced with energy aware routing in the wireless sensor network. The Bayes Node Energy Distribution initially distributes the sensor nodes that detect an object of similar event (i.e., temperature, pressure, flow) into specific regions with the application of Bayes rule. The object detection of similar events is accomplished based on the bayes probabilities and is sent to the sink node resulting in minimizing the energy consumption. Next, the Polynomial Regression Function is applied to the target object of similar events considered for different sensors are combined. They are based on the minimum and maximum value of object events and are transferred to the sink node. Finally, the Poly Distribute algorithm effectively distributes the sensor nodes. The energy efficient routing path for each sensor nodes are created by data aggregation at the sink based on polynomial regression function which reduces the energy drain rate with minimum communication overhead. Experimental performance is evaluated using Dodgers Loop Sensor Data Set from UCI repository. Simulation results show that the proposed distribution algorithm significantly reduce the node energy drain rate and ensure fairness among different users reducing the communication overhead. PMID:26426701

  10. The mapping of electronic energy distributions using experimental electron density.

    PubMed

    Tsirelson, Vladimir G

    2002-08-01

    It is demonstrated that the approximate kinetic energy density calculated using the second-order gradient expansion with parameters of the multipole model fitted to experimental structure factors reproduces the main features of this quantity in a molecular or crystal position space. The use of the local virial theorem provides an appropriate derivation of approximate potential energy density and electronic energy density from the experimental (model) electron density and its derivatives. Consideration of these functions is not restricted by the critical points in the electron density and provides a comprehensive characterization of bonding in molecules and crystals.

  11. The mapping of electronic energy distributions using experimental electron density.

    PubMed

    Tsirelson, Vladimir G

    2002-08-01

    It is demonstrated that the approximate kinetic energy density calculated using the second-order gradient expansion with parameters of the multipole model fitted to experimental structure factors reproduces the main features of this quantity in a molecular or crystal position space. The use of the local virial theorem provides an appropriate derivation of approximate potential energy density and electronic energy density from the experimental (model) electron density and its derivatives. Consideration of these functions is not restricted by the critical points in the electron density and provides a comprehensive characterization of bonding in molecules and crystals. PMID:12149553

  12. Radial Flux Distribution of Low-Energy Neutrons.

    ERIC Educational Resources Information Center

    Higinbotham, J.

    1979-01-01

    Describes an experiment designed to illustrate the basic principle involved in the process of moderation of fast neutrons by water, and the monitoring of the low-energy neutron flux using indium as a probe. (GA)

  13. Amorphous metal distribution transformers: The energy-efficient alternative

    SciTech Connect

    Garrity, T.F.

    1994-12-31

    Amorphous metal distribution transformers have been commercially available for the past 13 years. During that time, they have realized the promise of exceptionally high core efficiency as compared to silicon steel transformer cores. Utility planners today must consider all options available to meet the requirements of load growth. While additional generation capacity will be added, many demand-side initiatives are being undertaken as complementary programs to generation expansion. The efficiency improvement provided by amorphous metal distribution transformers deserves to be among the demand-side options. The key to understanding the positive impact of amorphous metal transformer efficiency is to consider the aggregate contribution those transformers can make towards demand reduction. It is estimated that distribution transformer core losses comprise at least 1% of the utility`s peak demand. Because core losses are continuous, any significant reduction in their magnitude is of great significance to the planner. This paper describes the system-wide economic contributions amorphous metal distribution transformers can make to a utility and suggests evaluation techniques that can be used. As a conservation tool, the amorphous metal transformer contributes to reduced power plant emissions. Calibration of those emissions reductions is also discussed in the paper.

  14. Polyelectrolyte adsorption onto like-charged surfaces mediated by trivalent counterions: a Monte Carlo simulation study.

    PubMed

    Luque-Caballero, Germán; Martín-Molina, Alberto; Quesada-Pérez, Manuel

    2014-05-01

    Both experiments and theory have evidenced that multivalent cations can mediate the interaction between negatively charged polyelectrolytes and like-charged objects, such as anionic lipoplexes (DNA-cation-anionic liposome complexes). In this paper, we use Monte Carlo simulations to study the electrostatic interaction responsible for the trivalent-counterion-mediated adsorption of polyelectrolytes onto a like-charged planar surface. The evaluation of the Helmholtz free energy allows us to characterize both the magnitude and the range of the interaction as a function of the polyelectrolyte charge, surface charge density, [3:1] electrolyte concentration, and cation size. Both polyelectrolyte and surface charge favor the adsorption. It should be stressed, however, that the adsorption will be negligible if the surface charge density does not exceed a threshold value. The effect of the [3:1] electrolyte concentration has also been analyzed. In certain range of concentrations, the counterion-mediated attraction seems to be independent of this parameter, whereas very high concentrations of salt weaken the adsorption. If the trivalent cation diameter is doubled the adsorption moderates due to the excluded volume effects. The analysis of the integrated charge density and ionic distributions suggests that a delicate balance between charge inversion and screening effects governs the polyelectrolyte adsorption onto like-charged surfaces mediated by trivalent cations. PMID:24811649

  15. Polyelectrolyte adsorption onto like-charged surfaces mediated by trivalent counterions: a Monte Carlo simulation study.

    PubMed

    Luque-Caballero, Germán; Martín-Molina, Alberto; Quesada-Pérez, Manuel

    2014-05-01

    Both experiments and theory have evidenced that multivalent cations can mediate the interaction between negatively charged polyelectrolytes and like-charged objects, such as anionic lipoplexes (DNA-cation-anionic liposome complexes). In this paper, we use Monte Carlo simulations to study the electrostatic interaction responsible for the trivalent-counterion-mediated adsorption of polyelectrolytes onto a like-charged planar surface. The evaluation of the Helmholtz free energy allows us to characterize both the magnitude and the range of the interaction as a function of the polyelectrolyte charge, surface charge density, [3:1] electrolyte concentration, and cation size. Both polyelectrolyte and surface charge favor the adsorption. It should be stressed, however, that the adsorption will be negligible if the surface charge density does not exceed a threshold value. The effect of the [3:1] electrolyte concentration has also been analyzed. In certain range of concentrations, the counterion-mediated attraction seems to be independent of this parameter, whereas very high concentrations of salt weaken the adsorption. If the trivalent cation diameter is doubled the adsorption moderates due to the excluded volume effects. The analysis of the integrated charge density and ionic distributions suggests that a delicate balance between charge inversion and screening effects governs the polyelectrolyte adsorption onto like-charged surfaces mediated by trivalent cations.

  16. Polyelectrolyte adsorption onto like-charged surfaces mediated by trivalent counterions: A Monte Carlo simulation study

    NASA Astrophysics Data System (ADS)

    Luque-Caballero, Germán; Martín-Molina, Alberto; Quesada-Pérez, Manuel

    2014-05-01

    Both experiments and theory have evidenced that multivalent cations can mediate the interaction between negatively charged polyelectrolytes and like-charged objects, such as anionic lipoplexes (DNA-cation-anionic liposome complexes). In this paper, we use Monte Carlo simulations to study the electrostatic interaction responsible for the trivalent-counterion-mediated adsorption of polyelectrolytes onto a like-charged planar surface. The evaluation of the Helmholtz free energy allows us to characterize both the magnitude and the range of the interaction as a function of the polyelectrolyte charge, surface charge density, [3:1] electrolyte concentration, and cation size. Both polyelectrolyte and surface charge favor the adsorption. It should be stressed, however, that the adsorption will be negligible if the surface charge density does not exceed a threshold value. The effect of the [3:1] electrolyte concentration has also been analyzed. In certain range of concentrations, the counterion-mediated attraction seems to be independent of this parameter, whereas very high concentrations of salt weaken the adsorption. If the trivalent cation diameter is doubled the adsorption moderates due to the excluded volume effects. The analysis of the integrated charge density and ionic distributions suggests that a delicate balance between charge inversion and screening effects governs the polyelectrolyte adsorption onto like-charged surfaces mediated by trivalent cations.

  17. Arsenic Adsorption Equilibrium Concentration and Adsorption Rate of Activated Carbon Coated with Ferric-Aluminum Hydroxides

    NASA Astrophysics Data System (ADS)

    Zhang, M.; Sugita, H.; Oguma, T.; Hara, J.; Takahashi, S.

    2015-12-01

    In some areas of developing countries, ground or well water contaminated with arsenic has been reluctantly used as drinking water. It is highly desirable that effective and inexpensive arsenic removal agents should be developed and provided to reduce the potential health risk. Previous studies demonstrated that activated carbon coated with ferric-aluminum hydroxides (Fe-Al-C) has high adsorptive potential for removal of arsenic. In this study, a series of experiments using Fe-Al-C were carried to discuss adsorption equilibrium time, adsorption equilibrium concentration and adsorption rate of arsenic for Fe-Al-C. Fe-Al-C used in this study was provided by Astec Co., Ltd. Powder reagent of disodium hydrogen arsenate heptahydrate was dissolved into ion-exchanged water. The solution was then further diluted with ion-exchanged water to be 1 and 10 mg/L as arsenic concentration. The pH of the solution was adjusted to be around 7 by adding HCl and/or NaOH. The solution was used as artificial arsenic contaminated water in two types of experiments (arsenic adsorption equilibrium and arsenic adsorption rate tests). The results of the arsenic equilibrium tests were showed that a time period of about 3 days to reach apparent adsorption equilibrium for arsenic. The apparent adsorption equilibrium concentration and adsorbed amount of arsenic on Fe-Al-C adsorbent could be estimated by application of various adsorption isotherms, but the distribution coefficient of arsenic between solid and liquid varies with experimental conditions such as initial concentration of arsenic and addition concentration of adsorbent. An adsorption rate equation that takes into account the reduction in the number of effective adsorption sites on the adsorbent caused by the arsenic adsorption reaction was derived based on the data obtained from the arsenic adsorption rate tests.

  18. Energy and angular distribution of low energy H+ and D+ backscattered from polycrystalline carbon

    SciTech Connect

    Overbury, S. H.; Dittner, P. F.; Datz, S.; Thoe, R. S.

    1980-01-01

    The energy distributions of H/sup +/ and D/sup +/ backscattered from a polycrystalline graphite sample were recorded as a function of total scattering angle, angle of incidence, and for incident beam energies 200 < E/sub i/ < 3000 eV. The general shapes of the distributions are discussed qualitatively, and their variation with incident energy and total scattering angle are explained and compared with theoretical and other experimental results. The average energies E/sup - +/, of the distributions are found to increase relative to the single scattering energy, E/sub k/, with decreasing incident energy, E/sup - +//E/sub k/ also increases with increasing exit angle from the solid in a way which is slightly dependent upon the angle of incidence. The integrated intensities of the distributions are found to depend strongly upon the angle of incidence, with a normally incident beam producing a nearly cosine distribution of backscattered ions and grazing angles of incidence producing an intensity which peaks at an angle forward of the specular direction. Using charge fractions obtained previously for surface scattering from graphite and transmission through thin carbon foil, values of the particle reflection coefficient R/sub N/ are obtained as a function of energy.

  19. Active electron energy distribution function control in direct current discharge using an auxiliary electrode

    SciTech Connect

    Schweigert, I. V.; Kaganovich, I. D.; Demidov, V. I.

    2013-10-15

    The electron energy distribution functions are studied in the low voltage dc discharge with a constriction, which is a diaphragm with an opening. The dc discharge glows in helium and is sustained by the electron current emitted from a heated cathode. We performed kinetic simulations of dc discharge characteristics and electron energy distribution functions for different gas pressures (0.8 Torr-4 Torr) and discharge current of 0.1 A. The results of these simulations indicate the ability to control the shape of the electron energy distribution functions by variation of the diaphragm opening radius.

  20. Fuzzy Performance between Surface Fitting and Energy Distribution in Turbulence Runner

    PubMed Central

    Liang, Zhongwei; Liu, Xiaochu; Ye, Bangyan; Brauwer, Richard Kars

    2012-01-01

    Because the application of surface fitting algorithms exerts a considerable fuzzy influence on the mathematical features of kinetic energy distribution, their relation mechanism in different external conditional parameters must be quantitatively analyzed. Through determining the kinetic energy value of each selected representative position coordinate point by calculating kinetic energy parameters, several typical algorithms of complicated surface fitting are applied for constructing microkinetic energy distribution surface models in the objective turbulence runner with those obtained kinetic energy values. On the base of calculating the newly proposed mathematical features, we construct fuzzy evaluation data sequence and present a new three-dimensional fuzzy quantitative evaluation method; then the value change tendencies of kinetic energy distribution surface features can be clearly quantified, and the fuzzy performance mechanism discipline between the performance results of surface fitting algorithms, the spatial features of turbulence kinetic energy distribution surface, and their respective environmental parameter conditions can be quantitatively analyzed in detail, which results in the acquirement of final conclusions concerning the inherent turbulence kinetic energy distribution performance mechanism and its mathematical relation. A further turbulence energy quantitative study can be ensured. PMID:23213287

  1. Stepanian's star - The energy distribution reveals a nontypical cataclysmic variable

    NASA Technical Reports Server (NTRS)

    Szkody, P.

    1981-01-01

    Einstein, IUE, optical multichannel spectrophotometry, and IR observations of Stepanian's star are discussed in terms of other known cataclysmics. While the X-ray flux and IUE emission-line data are similar to that of dwarf novae, the total continuum flux distribution from uv-IR is cooler (peaking near a 10,000 K blackbody) and is unlike either a stellar component or a classic steady-state disk. The IR data show no evidence for a late-type component.

  2. Energy distributions and radiation transport in uranium plasmas

    NASA Technical Reports Server (NTRS)

    Miley, G. H.; Bathke, C.; Maceda, E.; Choi, C.

    1976-01-01

    An approximate analytic model, based on continuous electron slowing, has been used for survey calculations. Where more accuracy is required, a Monte Carlo technique is used which combines an analytic representation of Coulombic collisions with a random walk treatment of inelastic collisions. The calculated electron distributions have been incorporated into another code that evaluates both the excited atomic state densities within the plasma and the radiative flux emitted from the plasma.

  3. Effect of anisotropic interfacial energy on grain boundary distributions during grain growth

    SciTech Connect

    Gruber, J. A.; George, D. C.; Kuprat, A. P.; Rohrer, Gregory S.; Rollett, A. D.

    2004-01-01

    Through simulations with the moving finite element program GRAIN3D, we have studied the effect of anisotropic grain boundary energy on the distribution of boundary types in a polycrystal during normal grain growth. An energy function similar to that hypothesized for magnesia was used, and the simulated grain boundary distributions were found to agree well with measured distributions. The simulated results suggest that initially random microstructures develop nearly steady state grain boundary distributions that have local maxima and minima corresponding to local minima and maxima, respectively, of the energy function. It is well known that the properties and area fractions of various grain boundary types in polycrystals have a dramatic effect on macroscopic materials properties. The goal of the present study is to examine the quantitative relation between grain boundary energies and the distribution of grain boundary types that result from grain growth. In keeping with the prior work, we parameterize the five-dimensional space of grain boundary types using three parameters to describe the lattice misorientation and two parameters to describe the orientation of the grain boundary plane. Of particular interest is the observation that at fixed misorientations, there is significant texture in the distribution of the grain boundary planes and planes with low surface energies appear more frequently. Here we use simulation to test the idea that the observed distributions arise because of the grain boundary energy anisotropy. In comparison to the experiments, the simulations are advantageous because they make it possible to monitor the time evolution of the distribution and to independently determine the influence of different grain boundary properties on the development of the distribution. A moving finite element program, GRAIN3D, has been developed with the capability to incorporate anisotropic grain boundary energy and mobility functions into grain growth simulations

  4. Distributed Power Flow Control: Distributed Power Flow Control using Smart Wires for Energy Routing

    SciTech Connect

    2012-04-24

    GENI Project: Smart Wire Grid is developing a solution for controlling power flow within the electric grid to better manage unused and overall transmission capacity. The 300,000 miles of high-voltage transmission line in the U.S. today are congested and inefficient, with only around 50% of all transmission capacity utilized at any given time. Increased consumer demand should be met in part with more efficient and an economical power flow. Smart Wire Grid’s devices clamp onto existing transmission lines and control the flow of power within—much like how internet routers help allocate bandwidth throughout the web. Smart wires could support greater use of renewable energy by providing more consistent control over how that energy is routed within the grid on a real-time basis. This would lessen the concerns surrounding the grid’s inability to effectively store intermittent energy from renewables for later use.

  5. Energy, ecology and the distribution of microbial life

    PubMed Central

    Macalady, Jennifer L.; Hamilton, Trinity L.; Grettenberger, Christen L.; Jones, Daniel S.; Tsao, Leah E.; Burgos, William D.

    2013-01-01

    Mechanisms that govern the coexistence of multiple biological species have been studied intensively by ecologists since the turn of the nineteenth century. Microbial ecologists in the meantime have faced many fundamental challenges, such as the lack of an ecologically coherent species definition, lack of adequate methods for evaluating population sizes and community composition in nature, and enormous taxonomic and functional diversity. The accessibility of powerful, culture-independent molecular microbiology methods offers an opportunity to close the gap between microbial science and the main stream of ecological theory, with the promise of new insights and tools needed to meet the grand challenges humans face as planetary engineers and galactic explorers. We focus specifically on resources related to energy metabolism because of their direct links to elemental cycling in the Earth's history, engineering applications and astrobiology. To what extent does the availability of energy resources structure microbial communities in nature? Our recent work on sulfur- and iron-oxidizing autotrophs suggests that apparently subtle variations in the concentration ratios of external electron donors and acceptors select for different microbial populations. We show that quantitative knowledge of microbial energy niches (population-specific patterns of energy resource use) can be used to predict variations in the abundance of specific taxa in microbial communities. Furthermore, we propose that resource ratio theory applied to micro-organisms will provide a useful framework for identifying how environmental communities are organized in space and time. PMID:23754819

  6. Assessment of grid-friendly collective optimization framework for distributed energy resources

    SciTech Connect

    Pensini, Alessandro; Robinson, Matthew; Heine, Nicholas; Stadler, Michael; Mammoli, Andrea

    2015-11-04

    Distributed energy resources have the potential to provide services to facilities and buildings at lower cost and environmental impact in comparison to traditional electric-gridonly services. The reduced cost could result from a combination of higher system efficiency and exploitation of electricity tariff structures. Traditionally, electricity tariffs are designed to encourage the use of ‘off peak’ power and discourage the use of ‘onpeak’ power, although recent developments in renewable energy resources and distributed generation systems (such as their increasing levels of penetration and their increased controllability) are resulting in pressures to adopt tariffs of increasing complexity. Independently of the tariff structure, more or less sophisticated methods exist that allow distributed energy resources to take advantage of such tariffs, ranging from simple pre-planned schedules to Software-as-a-Service schedule optimization tools. However, as the penetration of distributed energy resources increases, there is an increasing chance of a ‘tragedy of the commons’ mechanism taking place, where taking advantage of tariffs for local benefit can ultimately result in degradation of service and higher energy costs for all. In this work, we use a scheduling optimization tool, in combination with a power distribution system simulator, to investigate techniques that could mitigate the deleterious effect of ‘selfish’ optimization, so that the high-penetration use of distributed energy resources to reduce operating costs remains advantageous while the quality of service and overall energy cost to the community is not affected.

  7. Spatial distributions of the energy and energy flux density of partially coherent electromagnetic beams in atmospheric turbulence.

    PubMed

    Li, Jianlong; Lü, Baida; Zhu, Shifu

    2009-07-01

    The formulas of the energy and energy flux density of partially coherent electromagnetic beams in atmospheric turbulence are derived by using Maxwell's equations. Expressions expressed by elements of electric cross spectral density matrixes of the magnetic and the mutual cross spectral density matrix are obtained for the partially coherent electromagnetic beams. Taken the partially coherent Cosh-Gaussian (ChG) electromagnetic beam as a typical example, the spatial distributions of the energy and energy flux density in atmospheric turbulence are numerically calculated. It is found that the turbulence shows a broadening effect on the spatial distributions of the energy and energy flux density. Some interesting results are obtained and explained with regard to their physical nature.

  8. Adsorption in sparse networks. 2: Silica aerogels

    SciTech Connect

    Scherer, G.W.; Calas, S.; Sempere, R.

    1998-06-15

    The model developed in Part 1 is applied to nitrogen adsorption isotherms obtained for a series of silica aerogels whose densities are varied by partial sintering. The isotherms are adequately described by a cubic network model, with all of the pores falling in the mesopore range; the adsorption and desorption branches are fit by the same pore size distribution. For the least dense gels, a substantial portion of the pore volume is not detected by condensation. The model attributes this effect to the shape of the adsorbate/adsorptive interface, which can adopt zero curvature even in mesopores, because of the shape of the network.

  9. Energy dependence of mass, charge, isotopic, and energy distributions in neutron-induced fission of 235U and 239Pu

    NASA Astrophysics Data System (ADS)

    Pasca, H.; Andreev, A. V.; Adamian, G. G.; Antonenko, N. V.; Kim, Y.

    2016-05-01

    The mass, charge, isotopic, and kinetic-energy distributions of fission fragments are studied within an improved scission-point statistical model in the reactions 235U+n and 239Pu+n at different energies of the incident neutron. The charge and mass distributions of the electromagnetic- and neutron-induced fission of 214,218Ra, 230,232,238U are also shown. The available experimental data are well reproduced and the energy-dependencies of the observable characteristics of fission are predicted for future experiments.

  10. Equilibria and dynamics of liquid-phase trinitrotoluene adsorption on granular activated carbon: effect of temperature and pH.

    PubMed

    Lee, Jae-Wook; Yang, Tae-Hoon; Shim, Wang-Geun; Kwon, Tae-Ouk; Moon, Il-Shik

    2007-03-01

    Environmental regulations for removal of trinitrotoluene (TNT) from wastewater have steadily become more stringent. This study focuses on the adsorption equilibrium, kinetics, and column dynamics of TNT on heterogeneous activated carbon. Adsorption equilibrium data obtained in terms of temperature (298.15, 313.15 and 323.15K) and pH (3, 8 and 10) were correlated by the Langmuir equation. In addition, the adsorption energy distribution functions which describe heterogeneous characteristics of porous solid sorbents were calculated by using the generalized nonlinear regularization method. Adsorption breakthrough curves were studied in activated column under various operating conditions such as temperature, pH, concentration, flow rate, and column length. We found that the effect of pH on adsorption breakthrough curves was considerably higher than other operating conditions. An adsorption model was formulated by employing the surface diffusion model inside the activated carbon particles. The model equation that was solved numerically by an orthogonal collocation method successfully simulated the adsorption breakthrough curves.

  11. Electron energy distributions in uranium helium mixtures. M.S. Thesis

    NASA Technical Reports Server (NTRS)

    Makowski, M. A.

    1977-01-01

    The high energy portion of the electron energy distribution for mixtures of uranium and helium at 1 atm, 5000 K, and a neutron flux of 2x10 to the 12th power/sq cm-sec have been calculated. The addition of He improves the heat transport characteristics of the plasma and has the feature that the He energy levels lie in the high energy portion of the electron distribution, potentially allowing non maxwellian excitation. It is concluded, however, that the resulting reaction rates are marginal relative to achieving inversion in He.

  12. FEL and Optical Klystron Gain for an Electron Beam with Oscillatory Energy Distribution

    SciTech Connect

    Stupakov, G.; Ding, Y.; Huang, Z.; /SLAC

    2009-12-09

    If the energy spread of a beam is larger then the Pierce parameter, the FEL gain length increases dramatically and the FEL output gets suppressed. We show that if the energy distribution of such a beam is made oscillatory on a small scale, the gain length can be considerably decreased. Such an oscillatory energy distribution is generated by first modulating the beam energy with a laser via the mechanism of inverse FEL, and then sending it through a strong chicane. We show that this approach also works for the optical klystron enhancement scheme. Our analytical results are corroborated by numerical simulations.

  13. Distributed Energy Resources and Dynamic Microgrid: An Integrated Assessment

    NASA Astrophysics Data System (ADS)

    Shang, Duo Rick

    The overall goal of this thesis is to improve understanding in terms of the benefit of DERs to both utility and to electricity end-users when integrated in power distribution system. To achieve this goal, a series of two studies was conducted to assess the value of DERs when integrated with new power paradigms. First, the arbitrage value of DERs was examined in markets with time-variant electricity pricing rates (e.g., time of use, real time pricing) under a smart grid distribution paradigm. This study uses a stochastic optimization model to estimate the potential profit from electricity price arbitrage over a five-year period. The optimization process involves two types of PHEVs (PHEV-10, and PHEV-40) under three scenarios with different assumptions on technology performance, electricity market and PHEV owner types. The simulation results indicate that expected arbitrage profit is not a viable option to engage PHEVs in dispatching and in providing ancillary services without more favorable policy and PHEV battery technologies. Subsidy or change in electricity tariff or both are needed. Second, it examined the concept of dynamic microgrid as a measure to improve distribution resilience, and estimates the prices of this emerging service. An economic load dispatch (ELD) model is developed to estimate the market-clearing price in a hypothetical community with single bid auction electricity market. The results show that the electricity market clearing price on the dynamic microgrid is predominantly decided by power output and cost of electricity of each type of DGs. At circumstances where CHP is the only source, the electricity market clearing price in the island is even cheaper than the on-grid electricity price at normal times. Integration of PHEVs in the dynamic microgrid will increase electricity market clearing prices. It demonstrates that dynamic microgrid is an economically viable alternative to enhance grid resilience.

  14. Enhancement in ion adsorption rate and desalination efficiency in a capacitive deionization cell through improved electric field distribution using electrodes composed of activated carbon cloth coated with zinc oxide nanorods.

    PubMed

    Laxman, Karthik; Myint, Myo Tay Zar; Bourdoucen, Hadj; Dutta, Joydeep

    2014-07-01

    Electrodes composed of activated carbon cloth (ACC) coated with zinc oxide (ZnO) nanorods are compared with plain ACC electrodes, with respect to their desalination efficiency of a 17 mM NaCl solution at different applied potentials. Polarization of the ZnO nanorods increased the penetration depth and strength of the electric field between the electrodes, leading to an increase in the capacitance and charge efficiency at reduced input charge ratios. Uniform distribution of the electric field lines between two electrodes coated with ZnO nanorods led to faster ion adsorption rates, reduced the electrode saturation time, and increased the average desalination efficiency by ∼45% for all applied potentials. The electrodes were characterized for active surface area, capacitance from cyclic voltammetry, theoretical assessment of surface area utilization, and the magnitude of electric field force acting on an ion of unit charge for each potential.

  15. Unfolding the fission prompt gamma-ray energy and multiplicity distribution measured by DANCE

    SciTech Connect

    Chyzh, A; Wu, C Y; Bredeweg, T; Couture, A; Jandel, M; Ullmann, J; Laptev, A

    2010-10-16

    The nearly energy independence of the {gamma}-ray efficiency and multiplicity response for the DANCE array, the unusual characteristic elucidated in our early technical report (LLNL-TR-452298), gives one a unique opportunity to derive the true prompt {gamma}-ray energy and multiplicity distribution in fission from the measurement. This unfolding procedure for the experimental data will be described in details and examples will be given to demonstrate the feasibility of reconstruction of the true distribution.

  16. 77 FR 32916 - Energy Conservation Standards for Distribution Transformers: Public Meeting and Availability of...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-06-04

    ... distribution transformers (77 FR 7282). On February 23, 2012, DOE held a public meeting to present the amended... Transformers: Public Meeting and Availability of Supplementary Analysis AGENCY: Office of Energy Efficiency and... additional information that it is making available about the liquid-immersed distribution...

  17. Electron energy distribution in a helium plasma created by nuclear radiations

    NASA Technical Reports Server (NTRS)

    Lo, R. H.; Miley, G. H.

    1974-01-01

    An integral balance technique for calculation of the electron energy distribution in a radiation-induced plasma is described. Results predict W-values reasonably well and compare favorably with more complicated Monte-Carlo calculations. The distribution found differs from that in a normal electrical discharge and is of interest in radiation-pumped laser research.

  18. Cross Section Sensitivity and Uncertainty Analysis Including Secondary Neutron Energy and Angular Distributions.

    1991-03-12

    Version 00 SUSD calculates sensitivity coefficients for one- and two-dimensional transport problems. Variance and standard deviation of detector responses or design parameters can be obtained using cross-section covariance matrices. In neutron transport problems, this code can perform sensitivity-uncertainty analysis for secondary angular distribution (SAD) or secondary energy distribution (SED).

  19. New algorithms for the Vavilov distribution calculation and the corresponding energy loss sampling

    SciTech Connect

    Chibani, O. |

    1998-10-01

    Two new algorithms for the fast calculation of the Vavilov distribution within the interval 0.01 {le} {kappa} {le} 10, where neither the Gaussian approximation nor the Landau distribution may be used, are presented. These algorithms are particularly convenient for the sampling of the corresponding random energy loss. A comparison with the exact Vavilov distribution for the case of protons traversing Al slabs is given.

  20. A method for the assessment of specific energy distribution in a model tumor system

    SciTech Connect

    Noska, M.A.

    1996-12-31

    Due to the short range of alpha particles in tissue, the calculation of dose from internally deposited alpha emitters requires a detailed analysis of the microscopic distribution of the radionuclide in order to determine the spatial distribution of energy emission events and, from this, the spatial distribution of dose. In the present study, the authors used quantitative autoradiography (QAR) to assess the microdistribution of a radiolabeled monoclonal antibody (MAb) fragment in human glioma xenografts in mice.

  1. Quantitative analysis of the energy distributions of electrons backscattered elastically from polyethylene

    NASA Astrophysics Data System (ADS)

    Tőkési, K.; Varga, D.; Berényi, Z.

    2015-07-01

    We present results of theoretical and experimental studies of the spectra of electrons backscattered elastically from polyethylene in the primary energy range between 1 and 5 keV. The experiments were performed using a high energy resolution electron spectroscopy. The theoretical interpretation is based on a Monte Carlo simulation of the recoil and Doppler effects. The separation between the carbon and hydrogen peak in the energy distributions is shown as a function of the primary electron energy. The simulations give many partial distributions separately, depending on the number of elastic scatterings (single, and multiple scatterings of different types). We show our results for intensity ratios, peak shifts and broadenings. We also present detailed analytical calculations for the main parameters of a single scattering. Finally, we present a qualitative comparison with the experimental data. We find our resulting energy distribution of elastically scattered electrons to be in good agreement with our measurements.

  2. Adsorption of copper to different biogenic oyster shell structures

    NASA Astrophysics Data System (ADS)

    Wu, Qiong; Chen, Jie; Clark, Malcolm; Yu, Yan

    2014-08-01

    The removal of copper from solution by oyster shell powder was investigated for potential wastewater treatment uses. In particular, adsorption behavior differences between the prismatic (PP) and nacreous (NP) shell layers, and how this affects copper removal, were investigated. Experimental results indicated that copper adsorption was highly pH-dependent with optimal copper removal at pH 5.5, where the powdered whole raw shell (RP) removed up to 99.9% of the copper within 24 h at a 10 mg/L initial copper concentration. Langmuir and Freundlich models were used to analyze the isotherm PP, NP and RP data. These results showed a strong homogeneous Langmuir model for low initial copper concentrations (5-30 mg/L) to both RP and PP layer, while strong agreement with a heterogeneous Freundlich model for high initial copper concentrations (30-200 mg/L); nevertheless, a homogeneous Langmuir model provided the best fit for the more dense NP layer across the initial concentration range (5-200 mg/L). The distribution coefficient (Kd) value of PP layer for each initial concentration investigated was substantially higher than the NP layer and it was also found that the PP layer dominated the adsorption process with an adsorption capacity of 8.9 mg/g, while the adsorption capacity of the NP layer was 2.6 mg/g. These differences are believed to be because of the more porous structure of the PP layer, which was confirmed by scanning electron microscopy, infrared spectroscopy, energy-dispersive X-ray spectroscopy, and thermogravimetry-differential thermal analyses.

  3. Ultracompact HII Regions: Their Morphologies and Spectral Energy Distributions

    NASA Astrophysics Data System (ADS)

    Churchwell, E.

    A high resolution radio continuum (2 and 6 cm) survey of UC H II regions has shown that a large percentage of these objects have arc or shell like morphologies, extremely sharp outer boundaries and are generally deeply embedded in dense molecular clouds. Emission measures on the order of 108pc cm-6, mean electron densities ≥ 105cm-6, and diameters of ≡0.1 pc are typical. The IR fluxes are typically 103-4 times greater than the maximum radio fluxes, consistent with conversion of essentially all the stellar radiation to IR by circumstellar dust. The results of a constant density model is described which seems to adequately fit the observed IR flux distributions of G34.26+0.15. The dust properties are being modified (addition of ice mantles) in an attempt to obtain good fits to the observed IR spectrum with free-fall models.

  4. Measurement and simulation of lineal energy distribution at the CERN high energy facility with a tissue equivalent proportional counter.

    PubMed

    Rollet, S; Autischer, M; Beck, P; Latocha, M

    2007-01-01

    The response of a tissue equivalent proportional counter (TEPC) in a mixed radiation field with a neutron energy distribution similar to the radiation field at commercial flight altitudes has been studied. The measurements have been done at the CERN-EU High-Energy Reference Field (CERF) facility where a well-characterised radiation field is available for intercomparison. The TEPC instrument used by the ARC Seibersdorf Research is filled with pure propane gas at low pressure and can be used to determine the lineal energy distribution of the energy deposition in a mass of gas equivalent to a 2 microm diameter volume of unit density tissue, of similar size to the nuclei of biological cells. The linearity of the detector response was checked both in term of dose and dose rate. The effect of dead-time has been corrected. The influence of the detector exposure location and orientation in the radiation field on the dose distribution was also studied as a function of the total dose. The microdosimetric distribution of the absorbed dose as a function of the lineal energy has been obtained and compared with the same distribution simulated with the FLUKA Monte Carlo transport code. The dose equivalent was calculated by folding this distribution with the quality factor as a function of linear energy transfer. The comparison between the measured and simulated distributions show that they are in good agreement. As a result of this study the detector is well characterised, thanks also to the numerical simulations the instrument response is well understood, and it's currently being used onboard the aircrafts to evaluate the dose to aircraft crew caused by cosmic radiation.

  5. Method and apparatus for thermal swing adsorption and thermally-enhanced pressure swing adsorption

    DOEpatents

    Wegeng, Robert S.; Rassat, Scot D.; TeGrotenhuis, Ward E.; Drost, Kevin; Vishwanathan, Vilayanur V.

    2004-06-08

    The present invention provides compact adsorption systems that are capable of rapid temperature swings and rapid cycling. Novel methods of thermal swing adsorption and thermally-enhanced pressure swing adsorption are also described. In some aspects of the invention, a gas is passed through the adsorbent thus allowing heat exchangers to be very close to all portions of the adsorbent and utilize less space. In another aspect, the adsorption media is selectively heated, thus reducing energy costs. Methods and systems for gas adsorption/desorption having improved energy efficiency with capability of short cycle times are also described. In another aspect, the apparatus or methods utilize heat exchange channels of varying lengths that have volumes controlled to provide equal heat fluxes. Methods of fuel cell startup are also described. Advantages of the invention include the ability to use (typically) 30-100 times less adsorbent compared to conventional systems.

  6. Method for thermal swing adsorption and thermally-enhanced pressure swing adsorption

    DOEpatents

    Wegeng, Robert S.; Rassat, Scot D.; Stenkamp, Victoria S.; TeGrotenhuis, Ward E.; Matson, Dean W.; Drost, M. Kevin; Viswanathan, Vilayanur V.

    2003-10-07

    The present invention provides compact adsorption systems that are capable of rapid temperature swings and rapid cycling. Novel methods of thermal swing adsorption and thermally-enhanced pressure swing adsorption are also described. In some aspects of the invention, a gas is passed through the adsorbent thus allowing heat exchangers to be very close to all portions of the adsorbent and utilize less space. In another aspect, the adsorption media is selectively heated, thus reducing energy costs. Methods and systems for gas adsorption/desorption having improved energy efficiency with capability of short cycle times are also described. Advantages of the invention include the ability to use (typically) 30-100 times less adsorbent compared to conventional systems.

  7. Apparatus for thermal swing adsorption and thermally-enhanced pressure swing adsorption

    DOEpatents

    Wegeng, Robert S.; Rassat, Scot D.; Stenkamp, Victoria S.; TeGrotenhuis, Ward E.; Matson, Dean W.; Drost, M. Kevin; Viswanathan, Vilayanur V.

    2005-12-13

    The present invention provides compact adsorption systems that are capable of rapid temperature swings and rapid cycling. Novel methods of thermal swing adsorption and thermally-enhanced pressure swing adsorption are also described. In some aspects of the invention, a gas is passed through the adsorbent thus allowing heat exchangers to be very close to all portions of the adsorbent and utilize less space. In another aspect, the adsorption media is selectively heated, thus reducing energy costs. Methods and systems for gas adsorption/desorption having improved energy efficiency with capability of short cycle times are also described. Advantages of the invention include the ability to use (typically) 30-100 times less adsorbent compared to conventional systems.

  8. The integration of renewable energy sources into electric power distribution systems. Volume 2, Utility case assessments

    SciTech Connect

    Zaininger, H.W.; Ellis, P.R.; Schaefer, J.C.

    1994-06-01

    Electric utility distribution system impacts associated with the integration of renewable energy sources such as photovoltaics (PV) and wind turbines (WT) are considered in this project. The impacts are expected to vary from site to site according to the following characteristics: (1) The local solar insolation and/or wind characteristics; (2) renewable energy source penetration level; (3) whether battery or other energy storage systems are applied; and (4) local utility distribution design standards and planning practices. Small, distributed renewable energy sources are connected to the utility distribution system like other, similar kW- and MW-scale equipment and loads. Residential applications are expected to be connected to single-phase 120/240-V secondaries. Larger kw-scale applications may be connected to three-phase secondaries, and larger hundred-kW and MW-scale applications, such as MW-scale windfarms or PV plants, may be connected to electric utility primary systems via customer-owned primary and secondary collection systems. Small, distributed renewable energy sources installed on utility distribution systems will also produce nonsite-specific utility generation system benefits such as energy and capacity displacement benefits, in addition to the local site-specific distribution system benefits. Although generation system benefits are not site-specific, they are utility-specific, and they vary significantly among utilities in different regions. In addition, transmission system benefits, environmental benefits and other benefits may apply. These benefits also vary significantly among utilities and regions. Seven utility case studies considering PV, WT, and battery storage were conducted to identify a range of potential renewable energy source distribution system applications.

  9. Power Hardware-in-the-Loop (PHIL) Testing Facility for Distributed Energy Storage (Poster)

    SciTech Connect

    Neubauer.J.; Lundstrom, B.; Simpson, M.; Pratt, A.

    2014-06-01

    The growing deployment of distributed, variable generation and evolving end-user load profiles presents a unique set of challenges to grid operators responsible for providing reliable and high quality electrical service. Mass deployment of distributed energy storage systems (DESS) has the potential to solve many of the associated integration issues while offering reliability and energy security benefits other solutions cannot. However, tools to develop, optimize, and validate DESS control strategies and hardware are in short supply. To fill this gap, NREL has constructed a power hardware-in-the-loop (PHIL) test facility that connects DESS, grid simulator, and load bank hardware to a distribution feeder simulation.

  10. On the Electron Energy Distribution Index of Swift Gamma-ray Burst Afterglows

    NASA Astrophysics Data System (ADS)

    Curran, P. A.; Evans, P. A.; de Pasquale, M.; Page, M. J.; van der Horst, A. J.

    2010-06-01

    The electron energy distribution index, p, is a fundamental parameter of the synchrotron emission from a range of astronomical sources. Here we examine one such source of synchrotron emission, gamma-ray burst (GRB) afterglows observed by the Swift satellite. Within the framework of the blast wave model, we examine the constraints placed on the distribution of p by the observed X-ray spectral indices and parameterize the distribution. We find that the observed distribution of spectral indices are inconsistent with an underlying distribution of p composed of a single discrete value but consistent with a Gaussian distribution centered at p = 2.36 and having a width of 0.59. Furthermore, accepting that the underlying distribution is a Gaussian, we find that the majority (gsim94%) of GRB afterglows in our sample have cooling break frequencies less than the X-ray frequency.

  11. Improving Power Quality in Low-Voltage Networks Containing Distributed Energy Resources

    NASA Astrophysics Data System (ADS)

    Mazumder, Sumit; Ghosh, Arindam; Zare, Firuz

    2013-05-01

    Severe power quality problems can arise when a large number of single-phase distributed energy resources (DERs) are connected to a low-voltage power distribution system. Due to the random location and size of DERs, it may so happen that a particular phase generates excess power than its load demand. In such an event, the excess power will be fed back to the distribution substation and will eventually find its way to the transmission network, causing undesirable voltage-current unbalance. As a solution to this problem, the article proposes the use of a distribution static compensator (DSTATCOM), which regulates voltage at the point of common coupling (PCC), thereby ensuring balanced current flow from and to the distribution substation. Additionally, this device can also support the distribution network in the absence of the utility connection, making the distribution system work as a microgrid. The proposals are validated through extensive digital computer simulation studies using PSCADTM.

  12. Suprathermal plasma analyzer for the measurement of low-energy electron distribution in the ionosphere.

    PubMed

    Shimoyama, M; Oyama, K-I; Abe, T; Yau, A W

    2011-07-01

    It is commonly believed that an energy transfer from thermal to suprathermal electrons (energy budget of the ionosphere. However, observation of electron energy spectrum in this energy range is quite limited because of technical difficulties of measurement. We have developed an instrument to measure electron energy distribution from thermal to suprathermal energy continuously with high-energy resolution of about 0.15 eV. The measurement principle is based on the combination of a retarding potential analyzer with a channel electron multiplier (CEM) and the Druyvesteyn method, which derives energy distribution from the current-voltage characteristics. The capability of detecting plasma space potential enables absolute calibration of electron energy. The instrument with a small vacuum pump, which is required for the CEM to work in low-vacuum region, was first successfully tested by a sounding rocket S-310-37 in the ionospheric E region. The instrument is expected to provide new opportunities to measure energy distribution of thermal and non-thermal electrons in low-density plasma, where a Langmuir probe cannot measure electron temperature because of low plasma density. PMID:21806205

  13. Suprathermal plasma analyzer for the measurement of low-energy electron distribution in the ionosphere

    SciTech Connect

    Shimoyama, M.; Yau, A. W.; Oyama, K.-I.; Abe, T.

    2011-07-15

    It is commonly believed that an energy transfer from thermal to suprathermal electrons (energy budget of the ionosphere. However, observation of electron energy spectrum in this energy range is quite limited because of technical difficulties of measurement. We have developed an instrument to measure electron energy distribution from thermal to suprathermal energy continuously with high-energy resolution of about 0.15 eV. The measurement principle is based on the combination of a retarding potential analyzer with a channel electron multiplier (CEM) and the Druyvesteyn method, which derives energy distribution from the current-voltage characteristics. The capability of detecting plasma space potential enables absolute calibration of electron energy. The instrument with a small vacuum pump, which is required for the CEM to work in low-vacuum region, was first successfully tested by a sounding rocket S-310-37 in the ionospheric E region. The instrument is expected to provide new opportunities to measure energy distribution of thermal and non-thermal electrons in low-density plasma, where a Langmuir probe cannot measure electron temperature because of low plasma density.

  14. On the angular and energy distribution of solar neutrons generated in P-P reactions

    NASA Technical Reports Server (NTRS)

    Efimov, Y. E.; Kocharov, G. E.

    1985-01-01

    The problem of high energy neutron generation in P-P reactions in the solar atmosphere is reconsidered. It is shown that the angular distribution of emitted neutrons is anisotropic and the energy spectrum of neutrons depends on the angle of neutron emission.

  15. Effects of wind-energy facilities on grassland bird distributions

    USGS Publications Warehouse

    Shaffer, Jill A.; Buhl, Deb

    2016-01-01

    The contribution of renewable energy to meet worldwide demand continues to grow. Wind energy is one of the fastest growing renewable sectors, but new wind facilities are often placed in prime wildlife habitat. Long-term studies that incorporate a rigorous statistical design to evaluate the effects of wind facilities on wildlife are rare. We conducted a before-after-control-impact (BACI) assessment to determine if wind facilities placed in native mixed-grass prairies displaced breeding grassland birds. During 2003–2012, we monitored changes in bird density in 3 study areas in North Dakota and South Dakota (U.S.A.). We examined whether displacement or attraction occurred 1 year after construction (immediate effect) and the average displacement or attraction 2–5 years after construction (delayed effect). We tested for these effects overall and within distance bands of 100, 200, 300, and >300 m from turbines. We observed displacement for 7 of 9 species. One species was unaffected by wind facilities and one species exhibited attraction. Displacement and attraction generally occurred within 100 m and often extended up to 300 m. In a few instances, displacement extended beyond 300 m. Displacement and attraction occurred 1 year after construction and persisted at least 5 years. Our research provides a framework for applying a BACI design to displacement studies and highlights the erroneous conclusions that can be made without the benefit of adopting such a design. More broadly, species-specific behaviors can be used to inform management decisions about turbine placement and the potential impact to individual species. Additionally, the avoidance distance metrics we estimated can facilitate future development of models evaluating impacts of wind facilities under differing land-use scenarios.

  16. Power Distribution Architecture for High Energy Physic Hostile Environment

    NASA Astrophysics Data System (ADS)

    Alderighi, M.; Citterio, M.; Latorre, S.; Riva, M.; Cova, P.; Delmonte, N.; Lanza, A.; Bernardoni, M.; Menozzi, R.; Costabeber, A.; Paccagnella, A.; Sichirollo, F.; Spiazzi, G.; Stellini, M.; Tenti, P.; Baccaro, S.; Iannuzzo, F.; Sanseverino, A.; Busatto, G.; de Luca, V.

    2012-08-01

    In the high luminosity phase of the Large Hadron Collider (LHC) the selection of the most suitable architecture able to supply the instrumentation of the experiments represents a critical task today. The power conversion units will have to supply low voltages and high currents to the loads with reduced transmission losses and, moreover, their design will have to face the critical demand of efficiency, robustness and limited size together with the need to operate in hostile environment. The paper discusses the most promising solutions in the power supply distribution networks which could be implemented in the upgraded detectors at the High Luminosity LHC collider. The proposed topologies have been selected by considering their tolerance to high background magnetic field and nuclear radiations as well as their limited electromagnetic noise emission. The analysis focuses on the description of the power supplies for noble liquid calorimeters, such as the Atlas LAr calorimeters, though several outcomes of this research can be applied to other detectors of the future LHC experiments.

  17. The integration of renewable energy sources into electric power distribution systems. Volume 1: National assessment

    SciTech Connect

    Barnes, P.R.; Van Dyke, J.W.; Tesche, F.M.; Zaininger, H.W.

    1994-06-01

    Renewable energy technologies such as photovoltaic, solar thermal electricity, and wind turbine power are environmentally beneficial sources of electric power generation. The integration of renewable energy sources into electric power distribution systems can provide additional economic benefits because of a reduction in the losses associated with transmission and distribution lines. Benefits associated with the deferment of transmission and distribution investment may also be possible for cases where there is a high correlation between peak circuit load and renewable energy electric generation, such as photovoltaic systems in the Southwest. Case studies were conducted with actual power distribution system data for seven electric utilities with the participation of those utilities. Integrating renewable energy systems into electric power distribution systems increased the value of the benefits by about 20 to 55% above central station benefits in the national regional assessment. In the case studies presented in Vol. II, the range was larger: from a few percent to near 80% for a case where costly investments were deferred. In general, additional savings of at least 10 to 20% can be expected by integrating at the distribution level. Wind energy systems were found to be economical in good wind resource regions, whereas photovoltaic systems costs are presently a factor of 2.5 too expensive under the most favorable conditions.

  18. The integration of renewable energy sources into electric power distribution systems. Volume 1: National assessment

    NASA Astrophysics Data System (ADS)

    Barnes, P. R.; Vandyke, J. W.; Tesche, F. M.; Zaininger, H. W.

    1994-06-01

    Renewable energy technologies such as photovoltaic, solar thermal electricity, and wind turbine power are environmentally beneficial sources of electric power generation. The integration of renewable energy sources into electric power distribution systems can provide additional economic benefits because of a reduction in the losses associated with transmission and distribution lines. Benefits associated with the deferment of transmission and distribution investment may also be possible for cases where there is a high correlation between peak circuit load and renewable energy electric generation, such as photovoltaic systems in the Southwest. Case studies were conducted with actual power distribution system data for seven electric utilities with the participation of those utilities. Integrating renewable energy systems into electric power distribution systems increased the value of the benefits by about 20 to 55% above central station benefits in the national regional assessment. In the case studies presented in Vol. 2, the range was larger: from a few percent to near 80% for a case where costly investments were deferred. In general, additional savings of at least 10 to 20% can be expected by integrating at the distribution level. Wind energy systems were found to be economical in good wind resource regions, whereas photovoltaic systems costs are presently a factor of 2.5 too expensive under the most favorable conditions.

  19. Electron energy distribution function by using probe method in electron cyclotron resonance multicharged ion source

    SciTech Connect

    Kumakura, Sho Kurisu, Yosuke; Kimura, Daiju; Yano, Keisuke; Imai, Youta; Sato, Fuminobu; Kato, Yushi; Iida, Toshiyuki

    2014-02-15

    We are constructing a tandem type electron cyclotron resonance (ECR) ion source (ECRIS). High-energy electrons in ECRIS plasma affect electron energy distribution and generate multicharged ion. In this study, we measure electron energy distribution function (EEDF) of low energy region (≦100 eV) in ECRIS plasma at extremely low pressures (10{sup −3}–10{sup −5} Pa) by using cylindrical Langmuir probe. From the result, it is found that the EEDF correlates with the electron density and the temperature from the conventional probe analysis. In addition, we confirm that the tail of EEDF spreads to high energy region as the pressure rises and that there are electrons with high energy in ECR multicharged ion source plasma. The effective temperature estimated from the experimentally obtained EEDF is larger than the electron temperature obtained from the conventional method.

  20. Electron energy distribution function by using probe method in electron cyclotron resonance multicharged ion source.

    PubMed

    Kumakura, Sho; Kurisu, Yosuke; Kimura, Daiju; Yano, Keisuke; Imai, Youta; Sato, Fuminobu; Kato, Yushi; Iida, Toshiyuki

    2014-02-01

    We are constructing a tandem type electron cyclotron resonance (ECR) ion source (ECRIS). High-energy electrons in ECRIS plasma affect electron energy distribution and generate multicharged ion. In this study, we measure electron energy distribution function (EEDF) of low energy region (≦100 eV) in ECRIS plasma at extremely low pressures (10(-3)-10(-5) Pa) by using cylindrical Langmuir probe. From the result, it is found that the EEDF correlates with the electron density and the temperature from the conventional probe analysis. In addition, we confirm that the tail of EEDF spreads to high energy region as the pressure rises and that there are electrons with high energy in ECR multicharged ion source plasma. The effective temperature estimated from the experimentally obtained EEDF is larger than the electron temperature obtained from the conventional method.

  1. Density distribution of high energy electrons in pulsed corona discharge of NO+N 2 mixture

    NASA Astrophysics Data System (ADS)

    Wang, Wenchun; Liu, Feng; Zhang, Jialiang; Wang, Younian

    2003-12-01

    Emission spectroscopy of the high-voltage pulsed positive corona discharge in a line-cylinder reactor is used to investigate the high-energy electron density distribution in the discharge gap. The relative overall emission intensity spatial distribution profile of the A 2Σ +→X 2Π transition of NO is successfully recorded against a severe electromagnetic pulse interference coming from the corona discharge at one atmosphere. The spectroscopic investigation shows that the high-energy electron density in the discharge has a nonlinearly decline in the radial distribution. When varying the discharge voltage, the absolute emission intensity of NO is different but the radial distribution profile is similar. If an oxygen flow was introduced into the discharge reactor, the emission intensity of NO decreases tremendously and, therefore, the high-energy electron density decreases reasonably.

  2. Energy spreading and angular distribution of a beam of electrons in molecular hydrogen

    NASA Technical Reports Server (NTRS)

    Heaps, M. G.; Green, A. E. S.

    1975-01-01

    A Monte Carlo approach is used to obtain the energy spreading and angular distribution of initially monoenergetic and monodirectional beams of electron incident on a gas of molecular hydrogen. Several beams of primary electrons and the resultant secondaries are degraded in a step-by-step procedure which utilizes a detailed set of cross sections, together with reasonable approximations for the creation of secondary electrons. Particular attention is paid to the initial angular distribution of secondary electrons. An analytic function which characterizes current experimental differential cross-section data is used to provide realistic inputs into our calculations. The results for energy distribution as a function of distance and angular distribution at selected energies and distances are illustrated.

  3. Some results concerning the potential energy of interfaces with nonuniformly distributed surfactant

    NASA Astrophysics Data System (ADS)

    Schwartz, L. W.; Roy, R. V.

    2001-10-01

    A functional is presented for the stored energy content, or potential energy, of a nonuniform distribution of surfactant on a liquid interface. This is the energy available to drive fluid motion using surface-tension-gradient forces. The functional is shown to be non-negative. An energy evolution equation is derived for the motion of a thin liquid film, whose shape evolves under the combined influence of surface tension, viscous, and surfactant effects. Numerical calculations show the time history of these global energy components. Results are relevant to the flow behavior of wetting agents, soap films, foams, and emulsions with possible applications in the industrial and biological worlds.

  4. K-Eigenvalue sensitivities of secondary distributions of continuous-energy data

    SciTech Connect

    Kiedrowski, B. C.; Brown, F. B.

    2013-07-01

    MCNP6 has the capability to produce energy-resolved sensitivity profiles for secondary distributions (fission {Chi} and scattering laws). Computing both unconstrained and constrained profiles are possible. Verification is performed with analytic test problems and a comparison to TSUNAMI-3D, and the comparisons show MCNP6 calculates correct or consistent results. Continuous-energy calculations are performed for three fast critical experiments: Jezebel, Flattop, and copper-reflected Zeus. The sensitivities to the secondary distributions (integrated over chosen energy ranges) are of similar magnitude to those of many of the cross sections, demonstrating the possibility that integral experiments are useful for assessing the fidelity of these data as well. (authors)

  5. Implication of radiative forcing distribution for energy transport

    NASA Astrophysics Data System (ADS)

    Huang, Yi

    2016-04-01

    Radiative forcing of a homogeneous greenhouse gas can be very inhomogeneous because the forcing is dependent on other atmospheric and surface variables. In the case of doubling CO2, the mean instantaneous forcing at the top of the atmosphere is found to vary geographically and temporally from positive to negative values, with the range being more than three times the magnitude of the global mean value. The vertical temperature change across the atmospheric column (temperature lapse rate) is found to be the best single predictor for explaining forcing variation. In addition, the masking effects of clouds and water vapor also contribute to forcing inhomogeneity. A regression model that predicts forcing from geophysical variables is constructed. This model can explain more than 90% of the variance of the forcing. Applying this model to analyzing the forcing variation in the CMIP5 models, we find that inter-model discrepancy in CO2 forcing caused by model climatology leads to considerable discrepancy in their projected change in poleward energy transport.

  6. Efficient first-principles calculation of the quantum kinetic energy and momentum distribution of nuclei.

    PubMed

    Ceriotti, Michele; Manolopoulos, David E

    2012-09-01

    Light nuclei at room temperature and below exhibit a kinetic energy which significantly deviates from the predictions of classical statistical mechanics. This quantum kinetic energy is responsible for a wide variety of isotope effects of interest in fields ranging from chemistry to climatology. It also furnishes the second moment of the nuclear momentum distribution, which contains subtle information about the chemical environment and has recently become accessible to deep inelastic neutron scattering experiments. Here, we show how, by combining imaginary time path integral dynamics with a carefully designed generalized Langevin equation, it is possible to dramatically reduce the expense of computing the quantum kinetic energy. We also introduce a transient anisotropic Gaussian approximation to the nuclear momentum distribution which can be calculated with negligible additional effort. As an example, we evaluate the structural properties, the quantum kinetic energy, and the nuclear momentum distribution for a first-principles simulation of liquid water.

  7. Efficient first-principles calculation of the quantum kinetic energy and momentum distribution of nuclei.

    PubMed

    Ceriotti, Michele; Manolopoulos, David E

    2012-09-01

    Light nuclei at room temperature and below exhibit a kinetic energy which significantly deviates from the predictions of classical statistical mechanics. This quantum kinetic energy is responsible for a wide variety of isotope effects of interest in fields ranging from chemistry to climatology. It also furnishes the second moment of the nuclear momentum distribution, which contains subtle information about the chemical environment and has recently become accessible to deep inelastic neutron scattering experiments. Here, we show how, by combining imaginary time path integral dynamics with a carefully designed generalized Langevin equation, it is possible to dramatically reduce the expense of computing the quantum kinetic energy. We also introduce a transient anisotropic Gaussian approximation to the nuclear momentum distribution which can be calculated with negligible additional effort. As an example, we evaluate the structural properties, the quantum kinetic energy, and the nuclear momentum distribution for a first-principles simulation of liquid water. PMID:23005275

  8. Advanced Communication and Control of Distributed Energy Resources at Detroit Edison

    SciTech Connect

    Haukur Asgeirsson; Richard Seguin

    2004-01-31

    The project objective was to create the communication and control system, the process and the economic procedures that will allow owners (e.g., residential, commercial, industrial, manufacturing, etc.) of Distributed Energy Resources (DER) connected in parallel to the electric distribution to have their resources operated in a manner that protects the electric utility distribution network and personnel that may be working on the network. The Distribution Engineering Workstation (DEW) (a power flow and short circuit modeling tool) was modified to calculate the real-time characteristics of the distribution network based on the real-time electric distribution network information and provide DER operating suggestions to the Detroit Edison system operators so that regional electric stability is maintained. Part of the suggestion algorithm takes into account the operational availability of DER’s, which is known by the Energy Aggregator, DTE Energy Technologies. The availability information will be exchanged from DTE Energy Technologies to Detroit Edison. For the calculated suggestions to be used by the Detroit Edison operators, procedures were developed to allow an operator to operate a DER by requesting operation of the DER through DTE Energy Technologies. Prior to issuing control of a DER, the safety of the distribution network and personnel needs to be taken into account. This information will be exchanged from Detroit Edison to DTE Energy Technologies. Once it is safe to control the DER, DTE Energy Technologies will issue the control signal. The real-time monitoring of the DECo system will reflect the DER control. Multi-vendor DER technologies’ representing approximately 4 MW of capacity was monitored and controlled using a web-based communication path. The DER technologies included are a photovoltaic system, energy storage, fuel cells and natural gas/diesel internal combustion engine generators. This report documents Phase I result for the Detroit Edison

  9. Angular distribution, kinetic energy distributions, and excitation functions of fast metastable oxygen fragments following electron impact of CO2

    NASA Technical Reports Server (NTRS)

    Misakian, M.; Mumma, M. J.; Faris, J. F.

    1975-01-01

    Dissociative excitation of CO2 by electron impact was studied using the methods of translational spectroscopy and angular distribution analysis. Earlier time of flight studies revealed two overlapping spectra, the slower of which was attributed to metastable CO(a3 pi) fragments. The fast peak is the focus of this study. Threshold energy, angular distribution, and improve time of flight measurements indicate that the fast peak actually consists of five overlapping features. The slowest of the five features is found to consist of metastable 0(5S) produced by predissociation of a sigma u + state of CO2 into 0(5S) + CO(a3 pi). Oxygen Rydberg fragments originating directly from a different sigma u + state are believed to make up the next fastest feature. Mechanisms for producing the three remaining features are discussed.

  10. Adsorption of sulfonamides on reduced graphene oxides as affected by pH and dissolved organic matter.

    PubMed

    Liu, Fei-Fei; Zhao, Jian; Wang, Shuguang; Xing, Baoshan

    2016-03-01

    With the significant increase in use and application of graphene and the frequent presence of sulfonamides (SAs) in water environments, their interactions have attracted extensive attention. In this study, adsorption of two selected SAs (sulfapyridine and sulfathiazole) by two reduced graphene oxides (rGO1 and rGO2) was examined as affected by pH and dissolved organic matter (DOM). Adsorption of SAs by rGOs was highly pH-dependent, and adsorption affinity of different SAs species followed the order of SA(0) > SA(+) > SA(-). The contribution of SA(0) to the overall adsorption was greater than its species fraction, implying the importance of the neutral species to adsorption. SAs adsorption isotherms at three selected pHs were in the order of pH 5.0 > pH 1.0 > pH 11.0, which was in accordance with the variation of site energy distribution analysis. Hydrophobic interaction, π-π EDA interaction and electrostatic interaction were the main mechanisms responsible for SAs adsorption by rGOs. Three representative natural DOMs including humic acid (HA), bovine serum albumin (BSA), and sodium alginate together with sodium dodecylbenzenesulfonate (SDBS) as a synthetic DOM were used to investigate their effect on SAs adsorption. The inhibition impact of DOM on SAs adsorption was lower for rGOs compared with carbon nanotubes and graphite, which might be attributed to the higher oxygen contents of rGOs. Also, the suppression effect of DOM generally followed an order of SDBS > HA ≥ BSA > alginate, indicating the importance role of DOM compositions. These results should be important for assessing the fate and transport of graphene and antibiotics in the environment. PMID:26708762

  11. Adsorption of sulfonamides on reduced graphene oxides as affected by pH and dissolved organic matter.

    PubMed

    Liu, Fei-Fei; Zhao, Jian; Wang, Shuguang; Xing, Baoshan

    2016-03-01

    With the significant increase in use and application of graphene and the frequent presence of sulfonamides (SAs) in water environments, their interactions have attracted extensive attention. In this study, adsorption of two selected SAs (sulfapyridine and sulfathiazole) by two reduced graphene oxides (rGO1 and rGO2) was examined as affected by pH and dissolved organic matter (DOM). Adsorption of SAs by rGOs was highly pH-dependent, and adsorption affinity of different SAs species followed the order of SA(0) > SA(+) > SA(-). The contribution of SA(0) to the overall adsorption was greater than its species fraction, implying the importance of the neutral species to adsorption. SAs adsorption isotherms at three selected pHs were in the order of pH 5.0 > pH 1.0 > pH 11.0, which was in accordance with the variation of site energy distribution analysis. Hydrophobic interaction, π-π EDA interaction and electrostatic interaction were the main mechanisms responsible for SAs adsorption by rGOs. Three representative natural DOMs including humic acid (HA), bovine serum albumin (BSA), and sodium alginate together with sodium dodecylbenzenesulfonate (SDBS) as a synthetic DOM were used to investigate their effect on SAs adsorption. The inhibition impact of DOM on SAs adsorption was lower for rGOs compared with carbon nanotubes and graphite, which might be attributed to the higher oxygen contents of rGOs. Also, the suppression effect of DOM generally followed an order of SDBS > HA ≥ BSA > alginate, indicating the importance role of DOM compositions. These results should be important for assessing the fate and transport of graphene and antibiotics in the environment.

  12. [Characterization of Pb2+ adsorption on the surface of birnessite treatment with Na4P2O7 at different pH and the study on the distribution of Mn(III) in the birnessite].

    PubMed

    Zhao, Wei; Yin, Hui; Liu, Fan; Feng, Xiong-Han; Tan, Wen-Feng

    2011-08-01

    Acid birnessite was treated with Na4P2O7 at pH 2, 4, 5 respectively. After the treatments, the species and content of manganese ion in the complex solution, and the variation of average oxidation state (AOS) of Mn in birnessite, and the amount of adsorbed Pb2+ and released Mn2+, H+ during the Pb2+ adsorption were investigated. The results indicate that after acid birnessite, the AOS of Mn is 3.670 which is treated by Na4P2O7 at different pH, Mn( III) located in the layer edge and part of Mn(III) located in the interlayer are released to the solution through complexation with Na4P2O7. The content of Mn(III) in the structure of original birnessite is very low. Small amount of Mn(II), which accounts for 4.70%-7.46% in the molar percentage of total released Mn, is also released simultaneously. The AOS of Mn of birnessites after treatment increases to 3.783 (pH 2), 3.786 (pH 4), 3.824 (pH 5) respectively. While the crystal structure of birnessite does not change after treatment, the amount of Mn(III) located above or below vacant cation sites decreases, and the amount of H+ located above or below vacant cation sites goes up in the structure of birnessites. The amount of vacant cation sites responsible for Pb2+ adsorption increases, which lead to the increase of the maximum amount of adsorbed Pb2+. Additionally, the distribution of Mn(III) in the structure of acid birnessite is deduced. About one sixth of Mn(III) locates in the layer edge, and five sixths of Mn(III) locates in the interlayer and the non layer edge.

  13. Deriving star formation histories from photometry using energy balance spectral energy distribution modelling

    NASA Astrophysics Data System (ADS)

    Smith, Daniel J. B.; Hayward, Christopher C.

    2015-10-01

    Panchromatic spectral energy distribution fitting is a critical tool for determining the physical properties of distant galaxies, such as their stellar mass and star formation rate. One widely used method is the publicly available MAGPHYS code. We build on our previous analysis by presenting some modifications which enable MAGPHYS to automatically estimate galaxy star formation histories (SFHs), including uncertainties, based on ultraviolet to far-infrared photometry. We use state-of-the art synthetic photometry derived by performing three-dimensional dust radiative transfer on hydrodynamic simulations of isolated disc and merging galaxies to test how well the modified MAGPHYS is able to recover SFHs under idealized conditions, where the true SFH is known. We find that while the SFH of the model with the best fit to the synthetic photometry is a poor representation of the true SFH (showing large variations with the line of sight to the galaxy and spurious bursts of star formation), median-likelihood SFHs generated by marginalizing over the default MAGPHYS libraries produce robust estimates of the smoothly varying isolated disc simulation SFHs. This preference for the median-likelihood SFH is quantitatively underlined by our estimates of χ ^2_SFH (analogous to the χ2 goodness-of-fit estimator) and Δ M / M (the integrated absolute mass discrepancy between the model and true SFH) that strongly prefer the median-likelihood SFHs over those that best fit the UV-to-far-IR photometry. In contrast, we are unable to derive a good estimate of the SFH for the merger simulations (either best fit or median likelihood) despite being able to obtain a reasonable fit to the simulated photometry, likely because the analytic SFHs with bursts superposed in the standard MAGPHYS library are insufficiently general/realistic.

  14. Free energy calculations, enhanced by a Gaussian ansatz, for the "chemical work" distribution.

    PubMed

    Boulougouris, Georgios C

    2014-05-15

    The evaluation of the free energy is essential in molecular simulation because it is intimately related with the existence of multiphase equilibrium. Recently, it was demonstrated that it is possible to evaluate the Helmholtz free energy using a single statistical ensemble along an entire isotherm by accounting for the "chemical work" of transforming each molecule, from an interacting one, to an ideal gas. In this work, we show that it is possible to perform such a free energy perturbation over a liquid vapor phase transition. Furthermore, we investigate the link between a general free energy perturbation scheme and the novel nonequilibrium theories of Crook's and Jarzinsky. We find that for finite systems away from the thermodynamic limit the second law of thermodynamics will always be an inequality for isothermal free energy perturbations, resulting always to a dissipated work that may tend to zero only in the thermodynamic limit. The work, the heat, and the entropy produced during a thermodynamic free energy perturbation can be viewed in the context of the Crooks and Jarzinsky formalism, revealing that for a given value of the ensemble average of the "irreversible" work, the minimum entropy production corresponded to a Gaussian distribution for the histogram of the work. We propose the evaluation of the free energy difference in any free energy perturbation based scheme on the average irreversible "chemical work" minus the dissipated work that can be calculated from the variance of the distribution of the logarithm of the work histogram, within the Gaussian approximation. As a consequence, using the Gaussian ansatz for the distribution of the "chemical work," accurate estimates for the chemical potential and the free energy of the system can be performed using much shorter simulations and avoiding the necessity of sampling the computational costly tails of the "chemical work." For a more general free energy perturbation scheme that the Gaussian ansatz may not be

  15. Advanced air distribution: improving health and comfort while reducing energy use.

    PubMed

    Melikov, A K

    2016-02-01

    Indoor environment affects the health, comfort, and performance of building occupants. The energy used for heating, cooling, ventilating, and air conditioning of buildings is substantial. Ventilation based on total volume air distribution in spaces is not always an efficient way to provide high-quality indoor environments at the same time as low-energy consumption. Advanced air distribution, designed to supply clean air where, when, and as much as needed, makes it possible to efficiently achieve thermal comfort, control exposure to contaminants, provide high-quality air for breathing and minimizing the risk of airborne cross-infection while reducing energy use. This study justifies the need for improving the present air distribution design in occupied spaces, and in general the need for a paradigm shift from the design of collective environments to the design of individually controlled environments. The focus is on advanced air distribution in spaces, its guiding principles and its advantages and disadvantages. Examples of advanced air distribution solutions in spaces for different use, such as offices, hospital rooms, vehicle compartments, are presented. The potential of advanced air distribution, and individually controlled macro-environment in general, for achieving shared values, that is, improved health, comfort, and performance, energy saving, reduction of healthcare costs and improved well-being is demonstrated. Performance criteria are defined and further research in the field is outlined.

  16. Evaluation of the isosteric heat of adsorption at zero coverage for hydrogen on activated carbons

    NASA Astrophysics Data System (ADS)

    Dohnke, E.; Beckner, M.; Romanos, J.; Olsen, R.; Wexler, C.; Pfeifer, P.

    2011-03-01

    Activated carbons made from corn cob show promise as materials for high-capacity hydrogen storage. As part of our characterization of these materials, we are interested in learning how different production methods affect the adsorption energies. In this talk, we will show how hydrogen adsorption isotherms may be used to calculate these adsorption energies at zero coverage using Henry's law. We will additionally discuss differences between the binding energy and the isosteric heat of adsorption by applying this analysis at different temperatures.

  17. Effects of Home Energy Management Systems on Distribution Utilities and Feeders Under Various Market Structure; NREL (National Renewable Energy Laboratory)

    SciTech Connect

    Ruth, M.; Pratt, A.; Lunacek, M.; Mittal, S.; Wu, H.; Jones, W.

    2015-06-15

    The combination of distributed energy resources (DER) and retail tariff structures to provide benefits to both utility consumers and the utilities is not well understood. To improve understanding, an Integrated Energy System Model (IESM) is being developed to simulate the physical and economic aspects of DER technologies, the buildings where they reside, and feeders servicing them. The IESM was used to simulate 20 houses with home energy management systems on a single feeder under a time-of-use (TOU) tariff to estimate economic and physical impacts on both the households and the distribution utilities. Home energy management systems (HEMS) reduce consumers’ electric bills by precooling houses in the hours before peak electricity pricing. Utilization of HEMS reduce peak loads during high price hours but shifts it to hours with off-peak and shoulder prices, resulting in a higher peak load. used to simulate 20 houses with home energy management systems on a single feeder under a time-of-use (TOU) tariff to estimate economic and physical impacts on both the households and the distribution utilities. Home energy management systems (HEMS) reduce consumers’ electric bills by precooling houses in the hours before peak electricity pricing. Utilization of HEMS reduce peak loads during high price hours but shifts it to hours with off-peak and shoulder prices, resulting in a higher peak load.

  18. Monte Carlo calculations of energy deposition distributions of electrons below 20 keV in protein.

    PubMed

    Tan, Zhenyu; Liu, Wei

    2014-05-01

    The distributions of energy depositions of electrons in semi-infinite bulk protein and the radial dose distributions of point-isotropic mono-energetic electron sources [i.e., the so-called dose point kernel (DPK)] in protein have been systematically calculated in the energy range below 20 keV, based on Monte Carlo methods. The ranges of electrons have been evaluated by extrapolating two calculated distributions, respectively, and the evaluated ranges of electrons are compared with the electron mean path length in protein which has been calculated by using electron inelastic cross sections described in this work in the continuous-slowing-down approximation. It has been found that for a given energy, the electron mean path length is smaller than the electron range evaluated from DPK, but it is large compared to the electron range obtained from the energy deposition distributions of electrons in semi-infinite bulk protein. The energy dependences of the extrapolated electron ranges based on the two investigated distributions are given, respectively, in a power-law form. In addition, the DPK in protein has also been compared with that in liquid water. An evident difference between the two DPKs is observed. The calculations presented in this work may be useful in studies of radiation effects on proteins.

  19. Kinetic Energy Distribution of H(2p) Atoms from Dissociative Excitation of H2

    NASA Technical Reports Server (NTRS)

    Ajello, Joseph M.; Ahmed, Syed M.; Kanik, Isik; Multari, Rosalie

    1995-01-01

    The kinetic energy distribution of H(2p) atoms resulting from electron impact dissociation of H2 has been measured for the first time with uv spectroscopy. A high resolution uv spectrometer was used for the measurement of the H Lyman-alpha emission line profiles at 20 and 100 eV electron impact energies. Analysis of the deconvolved 100 eV line profile reveals the existence of a narrow line peak and a broad pedestal base. Slow H(2p) atoms with peak energy near 80 meV produce the peak profile, which is nearly independent of impact energy. The wings of H Lyman-alpha arise from dissociative excitation of a series of doubly excited Q(sub 1) and Q(sub 2) states, which define the core orbitals. The fast atom energy distribution peaks at 4 eV.

  20. Quasi-linear simulations of inner radiation belt electron pitch angle and energy distributions

    NASA Astrophysics Data System (ADS)

    Albert, Jay M.; Starks, Michael J.; Horne, Richard B.; Meredith, Nigel P.; Glauert, Sarah A.

    2016-03-01

    "Peculiar" or "butterfly" electron pitch angle distributions (PADs), with minima near 90°, have recently been observed in the inner radiation belt. These electrons are traditionally treated by pure pitch angle diffusion, driven by plasmaspheric hiss, lightning-generated whistlers, and VLF transmitter signals. Since this leads to monotonic PADs, energy diffusion by magnetosonic waves has been proposed to account for the observations. We show that the observed PADs arise readily from two-dimensional diffusion at L = 2, with or without magnetosonic waves. It is necessary to include cross diffusion, which accounts for the relationship between pitch angle and energy changes. The distribution of flux with energy is also in good agreement with observations between 200 keV and 1 MeV, dropping to very low levels at higher energy. Thus, at this location radial diffusion may be negligible at subrelativistic as well as ultrarelativistic energy.

  1. Adsorption of glucose, cellobiose, and cellotetraose onto cellulose model surfaces.

    PubMed

    Hoja, Johannes; Maurer, Reinhard J; Sax, Alexander F

    2014-07-31

    Reliable simulation of molecular adsorption onto cellulose surfaces is essential for the design of new cellulose nanocomposite materials. However, the applicability of classical force field methods to such systems remains relatively unexplored. In this study, we present the adsorption of glucose, cellobiose, and cellotetraose on model surfaces of crystalline cellulose Iα and Iβ. The adsorption of the two large carbohydrates was simulated with the GLYCAM06 force field. To validate this approach, quantum theoretical calculations for the adsorption of glucose were performed: Equilibrium geometries were studied with density functional theory (DFT) and dispersion-corrected DFT, whereas the adsorption energies were calculated with two standard density functional approximations and five dispersion-containing DFT approaches. We find that GLYCAM06 gives a good account of geometries and, in most cases, accurate adsorption energies when compared to dispersion-corrected DFT energies. Adsorption onto the (100) surface of cellulose Iα is, in general, stronger than onto the (100) surface of cellulose Iβ. Contrary to intuition, the adsorption energy is not directly correlated with the number of hydrogen bonds; rather, it is dominated by dispersion interactions. Especially for bigger adsorbates, a neglect of these interactions leads to a dramatic underestimation of adsorption energies.

  2. Adsorption of glucose, cellobiose, and cellotetraose onto cellulose model surfaces.

    PubMed

    Hoja, Johannes; Maurer, Reinhard J; Sax, Alexander F

    2014-07-31

    Reliable simulation of molecular adsorption onto cellulose surfaces is essential for the design of new cellulose nanocomposite materials. However, the applicability of classical force field methods to such systems remains relatively unexplored. In this study, we present the adsorption of glucose, cellobiose, and cellotetraose on model surfaces of crystalline cellulose Iα and Iβ. The adsorption of the two large carbohydrates was simulated with the GLYCAM06 force field. To validate this approach, quantum theoretical calculations for the adsorption of glucose were performed: Equilibrium geometries were studied with density functional theory (DFT) and dispersion-corrected DFT, whereas the adsorption energies were calculated with two standard density functional approximations and five dispersion-containing DFT approaches. We find that GLYCAM06 gives a good account of geometries and, in most cases, accurate adsorption energies when compared to dispersion-corrected DFT energies. Adsorption onto the (100) surface of cellulose Iα is, in general, stronger than onto the (100) surface of cellulose Iβ. Contrary to intuition, the adsorption energy is not directly correlated with the number of hydrogen bonds; rather, it is dominated by dispersion interactions. Especially for bigger adsorbates, a neglect of these interactions leads to a dramatic underestimation of adsorption energies. PMID:25036217

  3. Adsorption of catechol from aqueous solution by aminated hypercrosslinked polymers.

    PubMed

    Sun, Yue; Li, Xiao-Tao; Xu, Chao; Chen, Jin-Long; Li, Ai-Min; Zhang, Quan-Xing

    2005-01-01

    Adsorption of catechol from aqueous solution with the hypercrosslinked polymeric adsorbent NDA-100 and its derivatives AH-1, AH-2 and AH-3 aminated by dimethylamine, the commercial resin Amberlite XAD-4 and weakly basic anion exchanger resin D301 was compared. It was found that the aminated hypercrosslinked resins had the highest adsorption capacities among the tested polymers. The empirical Freundlich equation was successfully employed to describe the adsorption process. Specific surface area and micropore structure of the adsorbent, in company with tertiary amino groups on matrix affected the adsorption performance towards catechol. In addition, thermodynamic study was carried out to interpret the adsorption mechanism. Kinetic study testified that the tertiary amino groups on the polymer matrix could decrease the adsorption rate and increase the adsorption apparent activation energy.

  4. Competitive adsorption of heavy metals onto sesame straw biochar in aqueous solutions.

    PubMed

    Park, Jong-Hwan; Ok, Yong Sik; Kim, Seong-Heon; Cho, Ju-Sik; Heo, Jong-Soo; Delaune, Ronald D; Seo, Dong-Cheol

    2016-01-01

    Objective of this research was to evaluate adsorption of heavy metals in mono and multimetal forms onto sesame straw biochar (SSB). Competitive sorption of metals by SSB has never been reported previously. The maximum adsorption capacities (mgg(-1)) of metals by SSB were in the order of Pb (102)≫Cd (86)≫Cr (65)>Cu (55)≫Zn (34) in the monometal adsorption isotherm and Pb (88)≫Cu (40)≫Cr (21)>Zn (7)⩾Cd (5) in the multimetal adsorption isotherm. Based on data obtained from the distribution coefficients, Freundlich and Langmuir adsorption models, and three-dimensional simulation, multimetal adsorption behaviors differed from monometal adsorption due to competition. Especially, during multimetal adsorption, Cd was easily exchanged and substituted by other metals. Further competitive adsorption studies are necessary in order to accurately estimate the heavy metal adsorption capacity of biochar in natural environments.

  5. An accurate full-dimensional potential energy surface for H-Au(111): Importance of nonadiabatic electronic excitation in energy transfer and adsorption.

    PubMed

    Janke, Svenja M; Auerbach, Daniel J; Wodtke, Alec M; Kandratsenka, Alexander

    2015-09-28

    We have constructed a potential energy surface (PES) for H-atoms interacting with fcc Au(111) based on fitting the analytic form of the energy from Effective Medium Theory (EMT) to ab initio energy values calculated with density functional theory. The fit used input from configurations of the H-Au system with Au atoms at their lattice positions as well as configurations with the Au atoms displaced from their lattice positions. It reproduces the energy, in full dimension, not only for the configurations used as input but also for a large number of additional configurations derived from ab initio molecular dynamics (AIMD) trajectories at finite temperature. Adiabatic molecular dynamics simulations on this PES reproduce the energy loss behavior of AIMD. EMT also provides expressions for the embedding electron density, which enabled us to develop a self-consistent approach to simulate nonadiabatic electron-hole pair excitation and their effect on the motion of the incident H-atoms. For H atoms with an energy of 2.7 eV colliding with Au, electron-hole pair excitation is by far the most important energy loss pathway, giving an average energy loss ≈3 times that of the adiabatic case. This increased energy loss enhances the probability of the H-atom remaining on or in the Au slab by a factor of 2. The most likely outcome for H-atoms that are not scattered also depends prodigiously on the energy transfer mechanism; for the nonadiabatic case, more than 50% of the H-atoms which do not scatter are adsorbed on the surface, while for the adiabatic case more than 50% pass entirely through the 4 layer simulation slab.

  6. An accurate full-dimensional potential energy surface for H–Au(111): Importance of nonadiabatic electronic excitation in energy transfer and adsorption

    SciTech Connect

    Janke, Svenja M.; Auerbach, Daniel J.; Kandratsenka, Alexander; Wodtke, Alec M.

    2015-09-28

    We have constructed a potential energy surface (PES) for H-atoms interacting with fcc Au(111) based on fitting the analytic form of the energy from Effective Medium Theory (EMT) to ab initio energy values calculated with density functional theory. The fit used input from configurations of the H–Au system with Au atoms at their lattice positions as well as configurations with the Au atoms displaced from their lattice positions. It reproduces the energy, in full dimension, not only for the configurations used as input but also for a large number of additional configurations derived from ab initio molecular dynamics (AIMD) trajectories at finite temperature. Adiabatic molecular dynamics simulations on this PES reproduce the energy loss behavior of AIMD. EMT also provides expressions for the embedding electron density, which enabled us to develop a self-consistent approach to simulate nonadiabatic electron-hole pair excitation and their effect on the motion of the incident H-atoms. For H atoms with an energy of 2.7 eV colliding with Au, electron-hole pair excitation is by far the most important energy loss pathway, giving an average energy loss ≈3 times that of the adiabatic case. This increased energy loss enhances the probability of the H-atom remaining on or in the Au slab by a factor of 2. The most likely outcome for H-atoms that are not scattered also depends prodigiously on the energy transfer mechanism; for the nonadiabatic case, more than 50% of the H-atoms which do not scatter are adsorbed on the surface, while for the adiabatic case more than 50% pass entirely through the 4 layer simulation slab.

  7. Adsorption mechanism in RPLC. Effect of the nature of the organic modifier

    SciTech Connect

    Gritti, Fabrice; Guiochon, Georges A

    2005-07-01

    The adsorption isotherms of phenol and caffeine were acquired by frontal analysis on two different adsorbents, Kromasil-C{sub 18} and Discovery-C{sub 18}, with two different mobile phases, aqueous solutions of methanol (MeOH/H{sub 2}O = 40/60 and 30/70, v/v) and aqueous solutions of acetonitrile (MeCN/H{sub 2}O = 30/70 and 20/80, v/v). The adsorption isotherms are always strictly convex upward in methanol/water solutions. The calculations of the adsorption energy distribution confirm that the adsorption data for phenol are best modeled with the bi-Langmuir and the tri-Langmuir isotherm models for Kromasil-C{sub 18} and Discovery-C{sub 18}, respectively. Because its molecule is larger and excluded from the deepest sites buried in the bonded layer, the adsorption data of caffeine follow bi-Langmuir isotherm model behavior on both adsorbents. In contrast, with acetonitrile/water solutions, the adsorption data of both phenol and caffeine deviate far less from linear behavior. They were best modeled by the sum of a Langmuir and a BET isotherm models. The Langmuir term represents the adsorption of the analyte on the high-energy sites located within the C{sub 18} layers and the BET term its adsorption on the low-energy sites and its accumulation in an adsorbed multilayer system of acetonitrile on the bonded alkyl chains. The formation of a complex adsorbed phase containing up to four layers of acetonitrile (with a thickness of 3.4 {angstrom} each) was confirmed by the excess adsorption isotherm data measured for acetonitrile on Discovery-C{sub 18}. A simple interpretation of this change in the isotherm curvature at high concentrations when methanol is replaced with acetonitrile as the organic modifier is proposed, based on the structure of the interface between the C{sub 18} chains and the bulk mobile phase. This new model accounts for all the experimental observations.

  8. Accumulated distribution of material gain at dislocation crystal growth

    NASA Astrophysics Data System (ADS)

    Rakin, V. I.

    2016-05-01

    A model for slowing down the tangential growth rate of an elementary step at dislocation crystal growth is proposed based on the exponential law of impurity particle distribution over adsorption energy. It is established that the statistical distribution of material gain on structurally equivalent faces obeys the Erlang law. The Erlang distribution is proposed to be used to calculate the occurrence rates of morphological combinatorial types of polyhedra, presenting real simple crystallographic forms.

  9. Effect of intergranular interactions on thermal energy barrier distribution in perpendicular media

    NASA Astrophysics Data System (ADS)

    Zhou, Hong; Bertram, H. Neal; Schabes, Manfred E.

    2002-05-01

    Micromagnetic simulations have been performed to simulate dynamic hysteresis loops in perpendicular media. Thermal energy barrier distributions have been calculated. For a fixed percentage of magnetization switched, a linear variation between the scaled applied field Ha(t)/HK and ln(f0t)1/2 is found. Without including intergranular magnetostatic interactions, intergranular exchange coupling reduces the thermal energy barrier distribution width, compared to the physical volume distribution width. However, the magnetostatic interactions increase the energy barrier width substantially. The increase is significantly reduced at smaller magnetostatic interactions. For the effective volume of 50% magnetization switched (V50), the results show V50=√ almost independent of intergranular magnetostatic and exchange interactions.

  10. Analysis of electron energy distribution function in the Linac4 H⁻ source.

    PubMed

    Mochizuki, S; Mattei, S; Nishida, K; Hatayama, A; Lettry, J

    2016-02-01

    To understand the Electron Energy Distribution Function (EEDF) in the Radio Frequency Inductively Coupled Plasmas (RF-ICPs) in hydrogen negative ion sources, the detailed analysis of the EEDFs using numerical simulation and the theoretical approach based on Boltzmann equation has been performed. It is shown that the EEDF of RF-ICPs consists of two parts, one is the low energy part which obeys Maxwellian distribution and the other is high energy part deviated from Maxwellian distribution. These simulation results have been confirmed to be reasonable by the analytical approach. The results suggest that it is possible to enhance the dissociation of molecules and the resultant H(-) negative ion production by reducing the gas pressure. PMID:26931990

  11. Analysis of electron energy distribution function in the Linac4 H⁻ source.

    PubMed

    Mochizuki, S; Mattei, S; Nishida, K; Hatayama, A; Lettry, J

    2016-02-01

    To understand the Electron Energy Distribution Function (EEDF) in the Radio Frequency Inductively Coupled Plasmas (RF-ICPs) in hydrogen negative ion sources, the detailed analysis of the EEDFs using numerical simulation and the theoretical approach based on Boltzmann equation has been performed. It is shown that the EEDF of RF-ICPs consists of two parts, one is the low energy part which obeys Maxwellian distribution and the other is high energy part deviated from Maxwellian distribution. These simulation results have been confirmed to be reasonable by the analytical approach. The results suggest that it is possible to enhance the dissociation of molecules and the resultant H(-) negative ion production by reducing the gas pressure.

  12. A quantum chemistry study of curvature effects on boron nitride nanotubes/nanosheets for gas adsorption.

    PubMed

    Sha, Haoyan; Faller, Roland

    2016-07-20

    Quantum chemistry calculations were performed to investigate the effect of the surface curvature of a Boron Nitride (BN) nanotube/nanosheet on gas adsorption. Curved boron nitride layers with different curvatures interacting with a number of different gases including noble gases, oxygen, and water on both their convex and concave sides of the surface were studied using density functional theory (DFT) with a high level dispersion corrected functional. Potential energy surfaces of the gas molecules interacting with the selected BN surfaces were investigated. In addition, the charge distribution and electrostatic potential contour of the selected BN surfaces are discussed. The results reveal how the curvature of the BN surfaces affects gas adsorption. In particular, small curvatures lead to a slight difference in the physisorption energy, while large curvatures present distinct potential energy surfaces, especially for the short-range repulsion. PMID:27399852

  13. The adsorption mechanism of nortryptiline on C18-bonded discovery

    SciTech Connect

    Gritti, Fabrice; Guiochon, Georges A

    2005-08-01

    The adsorption isotherms of an ionizable compound, nortriptyline, were accurately measured by frontal analysis (FA) on a C{sub 18}-Discovery column, first without buffer (in an aqueous solution of acetonitrile at 15%, v/v of ACN), then with a buffer (in 28%, v/v ACN solution). The buffers were aqueous solutions containing 20 mM of formic acid or a phosphate buffer at pH 2.70. The linear range of the isotherm could not be reached with the non-buffered mobile phase using a dynamic range larger than 40,000 (from 1.2 x 10{sup -3} g/L to 50 g/L). With a 20 mM buffer in the liquid phase, the isotherm is linear for concentrations of nortriptyline inferior to 10{sup -3} g/L (or 3 {micro} mol/L). The adsorption energy distribution (AED) was calculated to determine the heterogeneity of the adsorption process. AED and FA were consistent and lead to a trimodal distribution. A tri-Moreau and a tri-Langmuir isotherm models accounted the best for the adsorption of nortriptyline without and with buffer, respectively. The nature of the buffer affects significantly the middle-energy sites while the properties of the lowest and highest of the three types of energy sites are almost unchanged. The desorption profiles of nortriptyline show some anomalies in relation with the formation of a complex multilayer adsorbed phase of acetonitrile whose excess isotherm was measured by the minor disturbance method. The C{sub 18}-Discovery column has about the same total saturation capacity, around 200 g of nortriptyline per liter of adsorbent (or 116 mg/g), with or without buffer. About 98-99% of the available surface consists in low energy sites. The coexistence of these different types of sites on the surface solves the McCalley's enigma, that the column efficiency begins to drop rapidly when the analyte concentration reaches values that are almost one hundred times lower than those that could be predicted from the isotherm data acquired under the same experimental conditions. Due to the

  14. Evaluation of eruptive energy of a pyroclastic deposit applying fractal geometry to fragment size distributions

    NASA Astrophysics Data System (ADS)

    Paredes Marino, Joali; Morgavi, Daniele; Di Vito, Mauro; de Vita, Sandro; Sansivero, Fabio; Perugini, Diego

    2016-04-01

    Fractal fragmentation theory has been applied to characterize the particle size distribution of pyroclastic deposits generated by volcanic explosions. Recent works have demonstrated that fractal dimension on grain size distributions can be used as a proxy for estimating the energy associated with volcanic eruptions. In this work we seek to establish a preliminary analytical protocol that can be applied to better characterize volcanic fall deposits and derive the potential energy for fragmentation that was stored in the magma prior/during an explosive eruption. The methodology is based on two different techniques for determining the grain-size distribution of the pyroclastic samples: 1) dry manual sieving (particles larger than 297μm), and 2) automatic grain size analysis via a CamSizer-P4®device, the latter measure the distribution of projected area, obtaining a cumulative distribution based on volume fraction for particles up to 30mm. Size distribution data have been analyzed by applying the fractal fragmentation theory estimating the value of Df, i.e. the fractal dimension of fragmentation. In order to test our protocol we studied the Cretaio eruption, Ischia island, Italy. Results indicate that size distributions of pyroclastic fall deposits follow a fractal law, indicating that the fragmentation process of these deposits reflects a scale-invariant fragmentation mechanism. Matching the results from manual and automated techniques allows us to obtain a value of the "fragmentation energy" from the explosive eruptive events that generate the Cretaio deposits. We highlight the importance of these results, based on fractal statistics, as an additional volcanological tool for addressing volcanic risk based on the analyses of grain size distributions of natural pyroclastic deposits. Keywords: eruptive energy, fractal dimension of fragmentation, pyroclastic fallout.

  15. Modeling of thermal storage systems in MILP distributed energy resource models

    SciTech Connect

    Steen, David; Stadler, Michael; Cardoso, Gonçalo; Groissböck, Markus; DeForest, Nicholas; Marnay, Chris

    2014-08-04

    Thermal energy storage (TES) and distributed generation technologies, such as combined heat and power (CHP) or photovoltaics (PV), can be used to reduce energy costs and decrease CO2 emissions from buildings by shifting energy consumption to times with less emissions and/or lower energy prices. To determine the feasibility of investing in TES in combination with other distributed energy resources (DER), mixed integer linear programming (MILP) can be used. Such a MILP model is the well-established Distributed Energy Resources Customer Adoption Model (DER-CAM); however, it currently uses only a simplified TES model to guarantee linearity and short run-times. Loss calculations are based only on the energy contained in the storage. This paper presents a new DER-CAM TES model that allows improved tracking of losses based on ambient and storage temperatures, and compares results with the previous version. A multi-layer TES model is introduced that retains linearity and avoids creating an endogenous optimization problem. The improved model increases the accuracy of the estimated storage losses and enables use of heat pumps for low temperature storage charging. Ultimately,results indicate that the previous model overestimates the attractiveness of TES investments for cases without possibility to invest in heat pumps and underestimates it for some locations when heat pumps are allowed. Despite a variation in optimal technology selection between the two models, the objective function value stays quite stable, illustrating the complexity of optimal DER sizing problems in buildings and microgrids.

  16. Natural gas transmission and distribution model of the National Energy Modeling System

    SciTech Connect

    1997-02-01

    The Natural Gas Transmission and Distribution Model (NGTDM) is the component of the National Energy Modeling System (NEMS) that is used to represent the domestic natural gas transmission and distribution system. NEMS was developed in the Office of Integrated Analysis and Forecasting of the Energy Information Administration (EIA). NEMS is the third in a series of computer-based, midterm energy modeling systems used since 1974 by the EIA and its predecessor, the Federal Energy Administration, to analyze domestic energy-economy markets and develop projections. From 1982 through 1993, the Intermediate Future Forecasting System (IFFS) was used by the EIA for its analyses, and the Gas Analysis Modeling System (GAMS) was used within IFFS to represent natural gas markets. Prior to 1982, the Midterm Energy Forecasting System (MEFS), also referred to as the Project Independence Evaluation System (PIES), was employed. NEMS was developed to enhance and update EIA`s modeling capability by internally incorporating models of energy markets that had previously been analyzed off-line. In addition, greater structural detail in NEMS permits the analysis of a broader range of energy issues. The time horizon of NEMS is the midterm period (i.e., through 2015). In order to represent the regional differences in energy markets, the component models of NEMS function at regional levels appropriate for the markets represented, with subsequent aggregation/disaggregation to the Census Division level for reporting purposes.

  17. Energy distributions exhibited during thermal runaway of commercial lithium ion batteries used for human spaceflight applications

    NASA Astrophysics Data System (ADS)

    Yayathi, Sandeep; Walker, William; Doughty, Daniel; Ardebili, Haleh

    2016-10-01

    Lithium ion (Li-ion) batteries provide low mass and energy dense solutions necessary for space exploration, but thermal related safety concerns impede the utilization of Li-ion technology for human applications. Experimental characterization of thermal runaway energy release with accelerated rate calorimetry supports safer thermal management systems. 'Standard' accelerated rate calorimetry setup provides means to measure the addition of energy exhibited through the body of a Li-ion cell. This study considers the total energy generated during thermal runaway as distributions between cell body and hot gases via inclusion of a unique secondary enclosure inside the calorimeter; this closed system not only contains the cell body and gaseous species, but also captures energy release associated with rapid heat transfer to the system unobserved by measurements taken on the cell body. Experiments include Boston Power Swing 5300, Samsung 18650-26F and MoliCel 18650-J Li-ion cells at varied states-of-charge. An inverse relationship between state-of-charge and onset temperature is observed. Energy contained in the cell body and gaseous species are successfully characterized; gaseous energy is minimal. Significant additional energy is measured with the heating of the secondary enclosure. Improved calorimeter apparatus including a secondary enclosure provides essential capability to measuring total energy release distributions during thermal runaway.

  18. Environmental variation, vegetation distribution, carbon dynamics and water/energy exchange at high latitudes

    USGS Publications Warehouse

    McGuire, A.D.; Wirth, C.; Apps, M.; Beringer, J.; Clein, J.; Epstein, H.; Kicklighter, D.W.; Bhatti, J.; Chapin, F. S.; De Groot, B.; Efremov, D.; Eugster, W.; Fukuda, M.; Gower, T.; Hinzman, L.; Huntley, B.; Jia, G.J.; Kasischke, E.; Melillo, J.; Romanovsky, V.; Shvidenko, A.; Vaganov, E.; Walker, D.

    2002-01-01

    The responses of high latitude ecosystems to global change involve complex interactions among environmental variables, vegetation distribution, carbon dynamics, and water and energy exchange. These responses may have important consequences for the earth system. In this study, we evaluated how vegetation distribution, carbon stocks and turnover, and water and energy exchange are related to environmental variation spanned by the network of the IGBP high latitude transects. While the most notable feature of the high latitude transects is that they generally span temperature gradients from southern to northern latitudes, there are substantial differences in temperature among the transects. Also, along each transect temperature co-varies with precipitation and photosynthetically active radiation, which are also variable among the transects. Both climate and disturbance interact to influence latitudinal patterns of vegetation and soil carbon storage among the transects, and vegetation distribution appears to interact with climate to determine exchanges of heat and moisture in high latitudes. Despite limitations imposed by the data we assembled, the analyses in this study have taken an important step toward clarifying the complexity of interactions among environmental variables, vegetation distribution, carbon stocks and turnover, and water and energy exchange in high latitude regions. This study reveals the need to conduct coordinated global change studies in high latitudes to further elucidate how interactions among climate, disturbance, and vegetation distribution influence carbon dynamics and water and energy exchange in high latitudes.

  19. PHEV Energy Use Estimation: Validating the Gamma Distribution for Representing the Random Daily Driving Distance

    SciTech Connect

    Lin, Zhenhong; Dong, Jing; Liu, Changzheng; Greene, David L

    2012-01-01

    The petroleum and electricity consumptions of plug-in hybrid electric vehicles (PHEVs) are sensitive to the variation of daily vehicle miles traveled (DVMT). Some studies assume DVMT to follow a Gamma distribution, but such a Gamma assumption is yet to be validated. This study finds the Gamma assumption valid in the context of PHEV energy analysis, based on continuous GPS travel data of 382 vehicles, each tracked for at least 183 days. The validity conclusion is based on the found small prediction errors, resulting from the Gamma assumption, in PHEV petroleum use, electricity use, and energy cost. The finding that the Gamma distribution is valid and reliable is important. It paves the way for the Gamma distribution to be assumed for analyzing energy uses of PHEVs in the real world. The Gamma distribution can be easily specified with very few pieces of driver information and is relatively easy for mathematical manipulation. Given the validation in this study, the Gamma distribution can now be used with better confidence in a variety of applications, such as improving vehicle consumer choice models, quantifying range anxiety for battery electric vehicles, investigating roles of charging infrastructure, and constructing online calculators that provide personal estimates of PHEV energy use.

  20. Self-calibration of cluster dark energy studies: Observable-mass distribution

    SciTech Connect

    Lima, Marcos; Hu, Wayne

    2005-08-15

    The exponential sensitivity of cluster number counts to the properties of the dark energy implies a comparable sensitivity to not only the mean but also the actual distribution of an observable-mass proxy given the true cluster mass. For example a 25% scatter in mass can provide a {approx}50% change in the number counts at z{approx}2 for the upcoming SPT survey. Uncertainty in the scatter of this amount would degrade dark energy constraints to uninteresting levels. Given the shape of the actual mass function, the properties of the distribution may be internally monitored by the shape of the observable mass function. As a proof of principle, for a simple mass-independent Gaussian distribution the scatter may be self-calibrated to allow a measurement of the dark energy equation of state of {sigma}(w){approx}0.1. External constraints on the mass variance of the distribution that are more accurate than {delta}{sigma}{sub lnM}{sup 2}<0.01 at z{approx}1 can further improve constraints by up to a factor of 2. More generally, cluster counts and their sample variance measured as a function of the observable provide internal consistency checks on the assumed form of the observable-mass distribution that will protect against misinterpretation of the dark energy constraints.

  1. Transverse momentum distributions in proton-proton collisions at LHC energies and Tsallis thermodynamics

    NASA Astrophysics Data System (ADS)

    Azmi, M. D.; Cleymans, J.

    2014-06-01

    A detailed study of the transverse momentum distributions of charged particles produced in p-p collisions at large hadron collider energies is presented. This is done using a thermodynamically consistent form of the Tsallis distribution. All variables used are thermodynamical and in particular, the temperature, T, follows from the standard thermodynamic definition as being the derivative of the energy with respect to the (Tsallis) entropy. The momentum distribution of the final state particles can be described very well by the Tsallis distribution. The values of the parameters are determined from measurements by the ALICE, ATLAS and CMS collaborations and are discussed in detail. In particular, the Tsallis parameter, q, is found with consistent values for all the transverse momentum distributions despite large differences in kinematic regions and shows a slight increase with beam energy, reaching a value of 1.15 at 7 TeV. It is concluded that the hadronic system created in high-energy p-p collisions at mid-rapidity is consistent with Tsallis thermodynamics.

  2. Observations of the directional distribution of the wind energy input function over swell waves

    NASA Astrophysics Data System (ADS)

    Shabani, Behnam; Babanin, Alex V.; Baldock, Tom E.

    2016-02-01

    Field measurements of wind stress over shallow water swell traveling in different directions relative to the wind are presented. The directional distribution of the measured stresses is used to confirm the previously proposed but unverified directional distribution of the wind energy input function. The observed wind energy input function is found to follow a much narrower distribution (β∝cos⁡3.6θ) than the Plant (1982) cosine distribution. The observation of negative stress angles at large wind-wave angles, however, indicates that the onset of negative wind shearing occurs at about θ≈ 50°, and supports the use of the Snyder et al. (1981) directional distribution. Taking into account the reverse momentum transfer from swell to the wind, Snyder's proposed parameterization is found to perform exceptionally well in explaining the observed narrow directional distribution of the wind energy input function, and predicting the wind drag coefficients. The empirical coefficient (ɛ) in Snyder's parameterization is hypothesised to be a function of the wave shape parameter, with ɛ value increasing as the wave shape changes between sinusoidal, sawtooth, and sharp-crested shoaling waves.

  3. A Simple Adsorption Experiment

    ERIC Educational Resources Information Center

    Guirado, Gonzalo; Ayllon, Jose A.

    2011-01-01

    The study of adsorption phenomenon is one of the most relevant and traditional physical chemistry experiments performed by chemistry undergraduate students in laboratory courses. In this article, we describe an easy, inexpensive, and straightforward way to experimentally determine adsorption isotherms using pieces of filter paper as the adsorbent…

  4. Multi-period Nash bargaining for Coordination of Distributed Energy Resources

    SciTech Connect

    2015-11-09

    Flexibility from distributed energy resources presents an enormous potential to provide various services to the smart grid. In this paper, we propose a unified hierarchical framework for aggregation and coordination of various flexible loads, such as commercial building Heating, Ventilation, and Air-Conditioning (HVAC) systems, Thermostatically Controlled Loads (TCLs), Distributed Energy Storages (DESs), residential Pool Pumps (PPs), and Electric Vehicles (EVs). Moreover, a multistage Nash-bargaining-based control strategy is proposed to coordinate different aggregations of flexible loads for demand response. Case studies are provided to demonstrate the efficacy of our proposed framework and coordination strategy in managing peak power demand in a community.

  5. Energy and mass distributions of impact ejecta blankets on the moon and Mercury

    NASA Technical Reports Server (NTRS)

    Ahrens, T. J.; Okeefe, J. D.

    1978-01-01

    The paper applies previously calculated impact-induced flow fields (O'Keefe and Ahrens, 1977) resulting from interaction of 5-cm radius gabbroic anorthosite impactor with a half-space of the same material, at various velocities, to obtain mass and energy ejecta distributions. Whereas earlier results described the ejecta distribution from a 15 km/s impact of an iron object on the moon in terms of mass vs. distance, the present results describe, at a given distance from the impact, the energy content as a function of depth, i.e., the thermal structure of ejecta blankets. Pertinent computational methods are included, and several tables and plots supplement the text.

  6. ENERGY SAVINGS POTENTIALS IN RESIDENTIAL AND SMALL COMMERCIAL THERMAL DISTRIBUTION SYSTEMS - AN UPDATE

    SciTech Connect

    ANDREWS,J.W.

    2003-10-31

    This is an update of a report (Andrews and Modera 1991) that quantified the amounts of energy that could be saved through better thermal distribution systems in residential and small commercial buildings. Thermal distribution systems are the ductwork, piping, or other means used to transport heat or cooling from the space-conditioning equipment to the conditioned space. This update involves no basic change in methodology relative to the 1991 report, but rather a review of the additional information available in 2003 on the energy-use patterns in residential and small commercial buildings.

  7. Results on the neutron energy distribution measurements at the RECH-1 Chilean nuclear reactor

    NASA Astrophysics Data System (ADS)

    Aguilera, P.; Molina, F.; Romero-Barrientos, J.

    2016-07-01

    Neutron activations experiments has been perform at the RECH-1 Chilean Nuclear Reactor to measure its neutron flux energy distribution. Samples of pure elements was activated to obtain the saturation activities for each reaction. Using - ray spectroscopy we identify and measure the activity of the reaction product nuclei, obtaining the saturation activities of 20 reactions. GEANT4 and MCNP was used to compute the self shielding factor to correct the cross section for each element. With the Expectation-Maximization algorithm (EM) we were able to unfold the neutron flux energy distribution at dry tube position, near the RECH-1 core. In this work, we present the unfolding results using the EM algorithm.

  8. The impact of frequency mixing on sheath properties: Ion energy distribution and Vdc/Vrf interaction

    NASA Astrophysics Data System (ADS)

    Shannon, Steven; Hoffman, Daniel; Yang, Jang-Gyoo; Paterson, Alex; Holland, John

    2005-05-01

    A dual frequency rf sheath is analyzed using a simple rf sheath model to study the interaction between the two driving rf currents and their effect on sheath parameters. A symmetric rf discharge with defined electron density and dc sheath potential is modeled using a sharp boundary sheath approximation. Three results of this study are reported: (1) reproduction of trends in ion energy distribution functions predicted and measured in previous studies, (2) a frequency-mixing-dependent relationship between the dc sheath potential and applied rf potential, and (3) an additional asymmetry in the ion energy distribution function generated by the intermodulation components resulting from the nonlinear sheath.

  9. Expansion-free evolving spheres must have inhomogeneous energy density distributions

    SciTech Connect

    Herrera, L.; Le Denmat, G.; Santos, N. O.

    2009-04-15

    In a recent paper a systematic study on shearing expansion-free spherically symmetric distributions was presented. As a particular case of such systems, the Skripkin model was mentioned, which corresponds to a nondissipative perfect fluid with a constant energy density. Here we show that such a model is inconsistent with junction conditions. It is shown that in general for any nondissipative fluid distribution, the expansion-free condition requires the energy density to be inhomogeneous. As an example we consider the case of dust, which allows for a complete integration.

  10. HIGH-ENERGY ELECTRON COOLING BASED ON REALISTIC SIX-DIMENSIONAL DISTRIBUTION OF ELECTRONS

    SciTech Connect

    FEDOTOV,A.; BEN-ZVI, I.; ET AL.

    2007-06-25

    The high-energy electron cooling system for RHIC-II is unique compared to standard coolers. It requires bunched electron beam. Electron bunches are produced by an Energy Recovery Linac (ERL), and cooling is planned without longitudinal magnetic field. To address unique features of the RHIC cooler, a generalized treatment of cooling force was introduced in BETACOOE code which allows us to calculate friction force for an arbitrary distribution of electrons. Simulations for RHIC cooler based on electron distribution from ERL are presented.

  11. Investigation of Cost and Energy Optimization of Drinking Water Distribution Systems.

    PubMed

    Cherchi, Carla; Badruzzaman, Mohammad; Gordon, Matthew; Bunn, Simon; Jacangelo, Joseph G

    2015-11-17

    Holistic management of water and energy resources through energy and water quality management systems (EWQMSs) have traditionally aimed at energy cost reduction with limited or no emphasis on energy efficiency or greenhouse gas minimization. This study expanded the existing EWQMS framework and determined the impact of different management strategies for energy cost and energy consumption (e.g., carbon footprint) reduction on system performance at two drinking water utilities in California (United States). The results showed that optimizing for cost led to cost reductions of 4% (Utility B, summer) to 48% (Utility A, winter). The energy optimization strategy was successfully able to find the lowest energy use operation and achieved energy usage reductions of 3% (Utility B, summer) to 10% (Utility A, winter). The findings of this study revealed that there may be a trade-off between cost optimization (dollars) and energy use (kilowatt-hours), particularly in the summer, when optimizing the system for the reduction of energy use to a minimum incurred cost increases of 64% and 184% compared with the cost optimization scenario. Water age simulations through hydraulic modeling did not reveal any adverse effects on the water quality in the distribution system or in tanks from pump schedule optimization targeting either cost or energy minimization. PMID:26461069

  12. Investigation of Cost and Energy Optimization of Drinking Water Distribution Systems.

    PubMed

    Cherchi, Carla; Badruzzaman, Mohammad; Gordon, Matthew; Bunn, Simon; Jacangelo, Joseph G

    2015-11-17

    Holistic management of water and energy resources through energy and water quality management systems (EWQMSs) have traditionally aimed at energy cost reduction with limited or no emphasis on energy efficiency or greenhouse gas minimization. This study expanded the existing EWQMS framework and determined the impact of different management strategies for energy cost and energy consumption (e.g., carbon footprint) reduction on system performance at two drinking water utilities in California (United States). The results showed that optimizing for cost led to cost reductions of 4% (Utility B, summer) to 48% (Utility A, winter). The energy optimization strategy was successfully able to find the lowest energy use operation and achieved energy usage reductions of 3% (Utility B, summer) to 10% (Utility A, winter). The findings of this study revealed that there may be a trade-off between cost optimization (dollars) and energy use (kilowatt-hours), particularly in the summer, when optimizing the system for the reduction of energy use to a minimum incurred cost increases of 64% and 184% compared with the cost optimization scenario. Water age simulations through hydraulic modeling did not reveal any adverse effects on the water quality in the distribution system or in tanks from pump schedule optimization targeting either cost or energy minimization.

  13. Molecular Simulations of Adsorption and Diffusion of RDX in IRMOF-1

    SciTech Connect

    Xong, Ruichang Xong; Fern, Jared T.; Keffer, David J.; Fuentes-Cabrera, Miguel A; Nicholson, Don M

    2009-01-01

    In order to test the feasibility of using metal-organic frameworks (MOFs) to pre-concentrate explosive molecules for detection, molecular simulations of hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) within IRMOF-1 were performed. Grand canonical Monte Carlo (GCMC) simulations were used to generate adsorption isotherms for pure RDX, RDX in dry air, and RDX in wet air. In addition to the isotherms, the GCMC simulations provide adsorption energies and density distributions of the adsorbates within the MOF. Molecular dynamics simulations calculate diffusivities and provide a detailed understanding of the change in conformation of the RDX molecule upon adsorption. The presence of dry air has little influence on the amount of RDX that adsorbs. The presence of wet air increases the amount of RDX that adsorbs due to favorable interactions between RDX and water. We found a Henry's law constant of 21.2 mol/kg/bar for both pure RDX and RDX in dry air. The RDX adsorption sites are located (i) in big cages, (ii) near a vertex, and (iii) between benzene rings. The energy of adsorption of RDX at infinite dilution was found to be - 9.2 kcal/mol. The distributions of bond lengths, bond angles and torsion angles in RDX are uniformly slightly broader in the gas phase than in the adsorbed phase, but not markedly so. The self-diffusivity of RDX in IRMOF-1 is a strong function of temperature, with an activation energy of 6.0 kcal/mol.

  14. Beam energy dependence of pseudorapidity distributions of charged particles produced in relativistic heavy-ion collisions

    NASA Astrophysics Data System (ADS)

    Basu, Sumit; Nayak, Tapan K.; Datta, Kaustuv

    2016-06-01

    Heavy-ion collisions at the Relativistic Heavy Ion Collider at Brookhaven National Laboratory and the Large Hadron Collider at CERN probe matter at extreme conditions of temperature and energy density. Most of the global properties of the collisions can be extracted from the measurements of charged-particle multiplicity and pseudorapidity (η ) distributions. We have shown that the available experimental data on beam energy and centrality dependence of η distributions in heavy-ion (Au +Au or Pb +Pb ) collisions from √{sNN}=7.7 GeV to 2.76 TeV are reasonably well described by the AMPT model, which is used for further exploration. The nature of the η distributions has been described by a double Gaussian function using a set of fit parameters, which exhibit a regular pattern as a function of beam energy. By extrapolating the parameters to a higher energy of √{sNN}=5.02 TeV, we have obtained the charged-particle multiplicity densities, η distributions, and energy densities for various centralities. Incidentally, these results match well with some of the recently published data by the ALICE Collaboration.

  15. Optimized Switch Allocation to Improve the Restoration Energy in Distribution Systems

    NASA Astrophysics Data System (ADS)

    Dezaki, Hamed H.; Abyaneh, Hossein A.; Agheli, Ali; Mazlumi, Kazem

    2012-01-01

    In distribution networks switching devices play critical role in energy restoration and improving reliability indices. This paper presents a novel objective function to optimally allocate switches in electric power distribution systems. Identifying the optimized location of the switches is a nonlinear programming problem (NLP). In the proposed objective function a new auxiliary function is used to simplify the calculation of the objective function. The output of the auxiliary function is binary. The genetic algorithm (GA) optimization method is used to solve this optimization problem. The proposed method is applied to a real distribution network and the results reveal that the method is successful.

  16. Electron energy distribution function and electron characteristics of conventional and micro hollow cathode discharges

    NASA Astrophysics Data System (ADS)

    Petrov, G. M.; Zhechev, D.

    2002-05-01

    The conventional hollow cathode discharge, micro hollow cathode discharge, and the transition between them have been analyzed. The time independent and spatially averaged electron energy distribution function, electron density, mean electron energy, excitation, and ionization rates have been calculated and compared. The direct comparison showed substantial differences between the conventional and micro hollow cathode discharges, particularly in absorbed power per unit volume, degree of ionization, and excitation and ionization rates.

  17. High energy angular distribution measurements of the exclusive deuteron photodisintegration reaction

    SciTech Connect

    Elaine Schulte; et. Al.

    2002-10-01

    The first complete measurements of the angular distributions of the two-body deuteron photodisintegration differential cross section at photon energies above 1.6 GeV were performed at the Thomas Jefferson National Accelerator Facility. The results show a persistent forward-backward asymmetry up to Egamma = 2.4 GeV, the highest-energy measured in this experiment. The Hard Rescattering and the Quark-Gluon string models are in fair agreement with the results.

  18. Decoding Group Vocalizations: The Acoustic Energy Distribution of Chorus Howls Is Useful to Determine Wolf Reproduction

    PubMed Central

    López-Bao, José Vicente; Llaneza, Luis; Fernández, Carlos; Font, Enrique

    2016-01-01

    Population monitoring is crucial for wildlife management and conservation. In the last few decades, wildlife researchers have increasingly applied bioacoustics tools to obtain information on several essential ecological parameters, such as distribution and abundance. One such application involves wolves (Canis lupus). These canids respond to simulated howls by emitting group vocalizations known as chorus howls. These responses to simulated howls reveal the presence of wolf litters during the breeding period and are therefore often used to determine the status of wolf populations. However, the acoustic structure of chorus howls is complex and discriminating the presence of pups in a chorus is sometimes difficult, even for experienced observers. In this study, we evaluate the usefulness of analyses of the acoustic energy distribution in chorus howls to identify the presence of pups in a chorus. We analysed 110 Iberian wolf chorus howls with known pack composition and found that the acoustic energy distribution is concentrated at higher frequencies when there are pups vocalizing. We built predictive models using acoustic energy distribution features to determine the presence of pups in a chorus, concluding that the acoustic energy distribution in chorus howls can be used to determine the presence of wolf pups in a pack. The method we outline here is objective, accurate, easily implemented, and independent of the observer's experience. These advantages are especially relevant in the case of broad scale surveys or when many observers are involved. Furthermore, the analysis of the acoustic energy distribution can be implemented for monitoring other social canids that emit chorus howls such as jackals or coyotes, provides an easy way to obtain information on ecological parameters such as reproductive success, and could be useful to study other group vocalizations. PMID:27144887

  19. Decoding Group Vocalizations: The Acoustic Energy Distribution of Chorus Howls Is Useful to Determine Wolf Reproduction.

    PubMed

    Palacios, Vicente; López-Bao, José Vicente; Llaneza, Luis; Fernández, Carlos; Font, Enrique

    2016-01-01

    Population monitoring is crucial for wildlife management and conservation. In the last few decades, wildlife researchers have increasingly applied bioacoustics tools to obtain information on several essential ecological parameters, such as distribution and abundance. One such application involves wolves (Canis lupus). These canids respond to simulated howls by emitting group vocalizations known as chorus howls. These responses to simulated howls reveal the presence of wolf litters during the breeding period and are therefore often used to determine the status of wolf populations. However, the acoustic structure of chorus howls is complex and discriminating the presence of pups in a chorus is sometimes difficult, even for experienced observers. In this study, we evaluate the usefulness of analyses of the acoustic energy distribution in chorus howls to identify the presence of pups in a chorus. We analysed 110 Iberian wolf chorus howls with known pack composition and found that the acoustic energy distribution is concentrated at higher frequencies when there are pups vocalizing. We built predictive models using acoustic energy distribution features to determine the presence of pups in a chorus, concluding that the acoustic energy distribution in chorus howls can be used to determine the presence of wolf pups in a pack. The method we outline here is objective, accurate, easily implemented, and independent of the observer's experience. These advantages are especially relevant in the case of broad scale surveys or when many observers are involved. Furthermore, the analysis of the acoustic energy distribution can be implemented for monitoring other social canids that emit chorus howls such as jackals or coyotes, provides an easy way to obtain information on ecological parameters such as reproductive success, and could be useful to study other group vocalizations.

  20. Decoding Group Vocalizations: The Acoustic Energy Distribution of Chorus Howls Is Useful to Determine Wolf Reproduction.

    PubMed

    Palacios, Vicente; López-Bao, José Vicente; Llaneza, Luis; Fernández, Carlos; Font, Enrique

    2016-01-01

    Population monitoring is crucial for wildlife management and conservation. In the last few decades, wildlife researchers have increasingly applied bioacoustics tools to obtain information on several essential ecological parameters, such as distribution and abundance. One such application involves wolves (Canis lupus). These canids respond to simulated howls by emitting group vocalizations known as chorus howls. These responses to simulated howls reveal the presence of wolf litters during the breeding period and are therefore often used to determine the status of wolf populations. However, the acoustic structure of chorus howls is complex and discriminating the presence of pups in a chorus is sometimes difficult, even for experienced observers. In this study, we evaluate the usefulness of analyses of the acoustic energy distribution in chorus howls to identify the presence of pups in a chorus. We analysed 110 Iberian wolf chorus howls with known pack composition and found that the acoustic energy distribution is concentrated at higher frequencies when there are pups vocalizing. We built predictive models using acoustic energy distribution features to determine the presence of pups in a chorus, concluding that the acoustic energy distribution in chorus howls can be used to determine the presence of wolf pups in a pack. The method we outline here is objective, accurate, easily implemented, and independent of the observer's experience. These advantages are especially relevant in the case of broad scale surveys or when many observers are involved. Furthermore, the analysis of the acoustic energy distribution can be implemented for monitoring other social canids that emit chorus howls such as jackals or coyotes, provides an easy way to obtain information on ecological parameters such as reproductive success, and could be useful to study other group vocalizations. PMID:27144887

  1. Observation of a power-law energy distribution in atom-ion hybrid system

    NASA Astrophysics Data System (ADS)

    Meir, Ziv; Akerman, Nitzan; Sikorsky, Tomas; Ben-Shlomi, Ruti; Dallal, Yehonatan; Ozeri, Roee

    2016-05-01

    Understanding atom-ion collision dynamics is at the heart of the growing field of ultra-cold atom-ion physics. The naive picture of a hot ion sympathetically-cooled by a cold atomic bath doesn't hold due to the time dependent potentials generated by the ion Paul trap. The energy scale of the atom-ion system is determined by a combination of the atomic bath temperature, the ion's excess micromotion (EMM) and the back action of the atom-ion attraction on the ion's position in the trap. However, it is the position dependent ion's inherent micromotion which acts as an amplifier for the ion's energy during random consecutive collisions. Due to this reason, the ion's energy distribution deviates from Maxwell-Boltzmann (MB) characterized by an exponential tail to one with power-law tail described by Tsallis q-exponential function. Here we report on the observation of a strong deviation from MB to Tsallis energy distribution of a trapped ion. In our experiment, a ground-state cooled 88 Sr+ ion is immersed in an ultra-cold cloud of 87 Rb atoms. The energy scale is determined by either EMM or solely due to the back action on the ion position during a collision with an atom in the trap. Energy distributions are obtained using narrow optical clock spectroscopy.

  2. Distribution of binding energies of a water molecule in the water liquid-vapor interface

    SciTech Connect

    Chempath, Shaji; Pratt, Lawrence R

    2008-01-01

    Distributions of binding energies of a water molecule in the water liquid-vapor interface are obtained on the basis of molecular simulation with the SPC/E model of water. These binding energies together with the observed interfacial density profile are used to test a minimally conditioned Gaussian quasi-chemical statistical thermodynamic theory. Binding energy distributions for water molecules in that interfacial region clearly exhibit a composite structure. A minimally conditioned Gaussian quasi-chemical model that is accurate for the free energy of bulk liquid water breaks down for water molecules in the liquid-vapor interfacial region. This breakdown is associated with the fact that this minimally conditioned Gaussian model would be inaccurate for the statistical thermodynamics of a dilute gas. Aggressive conditioning greatly improves the performance of that Gaussian quasi-chemical model. The analogy between the Gaussian quasi-chemical model and dielectric models of hydration free energies suggests that naive dielectric models without the conditioning features of quasi-chemical theory will be unreliable for these interfacial problems. Multi-Gaussian models that address the composite nature of the binding energy distributions observed in the interfacial region might provide a mechanism for correcting dielectric models for practical applications.

  3. Energy gains predict the distribution of plains bison across populations and ecosystems.

    PubMed

    Babin, Jean-Sébastien; Fortin, Daniel; Wilmshurst, John F; Fortin, Marie-Eve

    2011-01-01

    Developing tools that help predict animal distribution in the face of environmental change is central to understanding ecosystem function, but it remains a significant ecological challenge. We tested whether a single foraging currency could explain bison (Bison bison) distribution in dissimilar environments: a largely forested environment in Prince Albert National Park (Saskatchewan, Canada) and a prairie environment in Grasslands National Park (Saskatchewan, Canada). We blended extensive behavioral observations, relocations of radio-collared bison, vegetation surveys, and laboratory analyses to spatially link bison distribution in the two parks and expected gains for different nutritional currencies. In Prince Albert National Park, bison were more closely associated with the distribution of plants that maximized their instantaneous energy intake rate (IDE) than their daily intake of digestible energy. This result reflected both bison's intensity of use of individual meadows and their selection of foraging sites within meadows. On this basis, we tested whether IDE could explain the spatial dynamics of bison reintroduced to Grasslands National Park. As predicted, bison distribution in this park best matched spatial patterns of plants offering rapid IDE rather than rapid sodium intake, phosphorus intake, or daily intake of digestible energy. Because the two study areas have very different plant communities, a phenomenological model of resource selection developed in one area could not be used to predict animal distribution in the other. We were able, however, to successfully infer the distribution of bison from their foraging objective. This consistency in foraging currency across ecosystems and populations provides a strong basis for forecasting animal distributions in novel and dynamic environments.

  4. Adsorption of ferrous ions onto montmorillonites

    NASA Astrophysics Data System (ADS)

    Qin, Dawei; Niu, Xia; Qiao, Min; Liu, Gang; Li, Hongxin; Meng, Zhenxiao

    2015-04-01

    The adsorption of Fe (II) onto montmorillonites was investigated through initial concentration, contact time, pH and temperature. During the whole adsorption process, the ascorbic acid (Vitamin C) was added as a kind of antioxidant, at the same time, deionized water (after boiling) and nitrogen protection were also used to avoid oxidation. The Fe2+/Fetotal ratio of the iron exists in the Fe-montmorillonites was found more than 95%. Two kinetic models, including pseudo-first-order and pseudo-second-order model, were used to analyze the adsorption process of Fe (II) on montmorillonites. The results of our study showed that adsorption process fitted with pseudo-second-order well. Adsorption isotherms showed that Langmuir model was better than Freundlich model. The thermodynamic parameters ΔG0 and ΔH0 were 3.696 kJ/mol and 6.689 kJ/mol (we just gave the values at 298 K), respectively. The positive values at different temperatures showed that the adsorption process was non-spontaneous and endothermic. The characteristics of materials were determined by X-ray diffraction (XRD), Fourier transform infrared (FT-IR), Surface area and porosity analyzer, Thermogravimetric analysis (TGA), Differential scanning calorimeter (DSC) and Zeta potential distribution.

  5. DTE Energy Technologies With Detroit Edison Co. and Kinectrics Inc.: Distributed Resources Aggregation Modeling and Field Configuration Testing

    SciTech Connect

    Not Available

    2003-10-01

    Summarizes the work of DTE Energy Technologies, Detroit Edison, and Kinectrics, under contract to DOE's Distribution and Interconnection R&D, to develop distributed resources aggregation modeling and field configuration testing.

  6. Peak of spectral energy distribution plays an important role in intra-day variability of blazars?

    NASA Astrophysics Data System (ADS)

    Gupta, Alok C.; Kalita, Nibedita; Gaur, Haritma; Duorah, Kalpana

    2016-10-01

    Blazars can be divided into two sub-classes namely high energy and low energy peaked blazars. In spectral energy distribution, the first synchrotron hump of the former class peaks in UV/X-rays and in IR/optical bands for the latter class. The peak of the spectral energy distribution seems to be responsible for variability properties of these classes of blazars in X-ray and optical bands. Since, in low energy peaked blazars, the X-ray bands lies well below the synchrotron hump, one expects that the highest energy electrons available for the synchrotron emission would have slower effect of variability on X-ray intra-day time-scale. In this paper, by taking the advantage of a sample of 12 low energy peaked blazars with total 50 observations from XMM-Newton since its launch, we confirm that this class is less variable in X-ray bands. We found that out of 50 observational light curves, genuine intra-day variability is present in only two of light curves i.e 4 per cent. Similar results we obtained from our earlier optical intra-day variability studies of high energy peaked blazars where out of 144 light curves, only genuine intra-day variability was detected in 6 light curves i.e ˜4 per cent. Since, X-ray bands lie below the peak of the spectral energy distribution of LSPs where inverse Compton mechanism is dominating rather than synchrotron radiation at the peak of the optical band, leads to slower variability in the X-ray bands. Hence, reducing their intra-day variability in X-ray bands as compared to the variability in optical bands.

  7. Internal energy distribution of the NCO fragment from near-threshold photolysis of isocyanic acid, HNCO

    SciTech Connect

    Brown, S.S.; Berghout, H.L.; Crim, F.F.

    1996-05-09

    We report the first measurement of the vibrational- and rotational-state distributions in the NCO fragment resulting from photolysis of HNCO. Recent studies have drawn conclusions about the photochemistry of HNCO and the vibrational distribution in the NCO fragment from observations of kinetic energy distribution of the H atom produced in this photolysis; however, there has been no direct observation of the NCO fragment itself. We use laser-induced fluorescence to detect the nascent NCO photoproducts and spectral simulations to extract vibrational-state populations. The rotational distributions, where we can measure them, show little excitation, and the vibrational energy preferentially appears in the bending mode. The vibrational-state distribution results directly from the excited-state geometry of the HNCO parent, in which the NCO group is bent. The dissociation proceeds from this bent NCO group to a linear NCO fragment, strongly exciting the bending mode. We find about 65% of the total energy in relative translation of the fragments, while 30% goes into vibration and 5% into rotation of NCO. 49 refs., 7 figs., 2 tabs.

  8. Energy distribution of electron flux at electrodes in a low pressure capacitively coupled plasma

    NASA Astrophysics Data System (ADS)

    Rauf, Shahid; Dorf, Leonid; Kenney, Jason; Collins, Ken

    2013-01-01

    A one-dimensional particle-in-cell (PIC) model is used to examine the energy distribution of electron flux at electrodes [labeled ge(ɛ,t), where ɛ is energy and t is time] in a low pressure 60 MHz capacitively coupled Ar discharge. The effect of gas pressure and an auxiliary DC voltage on ge(ɛ,t) is also investigated. It is found that the electrons only leave the plasma for a short time period during the radio-frequency (RF) cycle when the sheath collapses at the electrode. Furthermore, majority of the exiting electrons have energies below 10 eV with a distribution ge(ɛ,t) that is narrow in both energy and time. At relatively high pressures (≥4.67 Pa for the conditions considered), the relationship between the time-average distribution ge(ɛ) and electron temperature in the plasma (Te) can be easily established. Below 4.67 Pa, kinetic effects become important, making it difficult to interpret ge(ɛ) in terms of Te. At low pressures, ge(ɛ,t) is found to broaden in both energy and time except for a narrow pressure range around 1.2 Pa where the distribution narrows temporally. These low pressure kinetic phenomena are observed when the electrons can be accelerated by expanding sheaths to speeds that allow them to traverse the inter-electrode distance quickly (<1.5 RF cycles for conditions considered) and when electrons undergo few collisions during this excursion. The mean energy of exiting electrons increases with decreasing gas pressure, especially below 1.0 Pa, due to higher Te and secondary electrons retaining a larger fraction of the energy they gained during initial sheath acceleration. For the relatively small DC voltages examined (|Vdc|/Vrf ≤ 0.15), the application of a negative DC voltage on an electrode decreases the electron flux there but has a weak impact on the ge profile.

  9. Transverse energy distribution analysis in a field emission element with an insulator funnel

    NASA Astrophysics Data System (ADS)

    Min, Liu; Xiaobing, Zhang; Wei, Lei; Hongping, Zhao; Baoping, Wang

    2005-06-01

    In a field emission display panel, an insulator funnel, which is called Hop funnel, has been used to separate the cathode and the anode. Secondary electrons generated on top of the insulating surface due to the primary electron bombardment are drawn to the exit hole of the funnel by the electric field. Therefore, the energy distribution of these secondary electrons influences the quality of the FED. In this paper, an experimental instrument has been built to study the energy distribution of the secondary electrons on the anode screen in a field emission display element. Simultaneously, the relevant simulation with different primary conditions has been made. The both numerical simulation and experimental results are compared, and it is found that: (1) The experimental results can be well described by the numerical simulations; (2) the distance between the emitting center and the funnel hole has a dramatic influence to the number of electrons that can leave the hop funnel; (3) the distance between the anode and the funnel does not have a strong influence on the energy distribution; (4) the transverse energy distribution of hop electrons is very low.

  10. Decay of a quantum-mechanical state described by a truncated Lorentzian energy distribution

    NASA Astrophysics Data System (ADS)

    Sluis, Kathleen M.; Gislason, Eric A.

    1991-05-01

    The nondecay probability Q(t) for a Lorentzian energy distribution peaked at E0 with full width at half maximum equal to Γ is given in atomic units by QL(t)=exp(-Γt). However, the Lorentzian distribution includes energies in the range -∞<=E<=∞. On physical grounds, this distribution must be truncated at some minimum energy E=0. In this paper, Q(t) is derived for a properly normalized truncated Lorentzian energy distribution. To aid the analysis, the average lifetime τ(tmin) for that fraction of the system that has not decayed by tmin is also calculated for this system. For a given value of the ratio E0/Γ, the function Q(t) shows different behavior in different time regimes; this behavior is presented and the time periods are determined. It is shown that Q(t) falls off linearly at very small t, but at a rate only half as fast as for QL(t). Thus this system cannot exhibit the behavior known as Zeno's paradox, but rapid measurements on this system that collapse the wave function back to the original state could, in principle, reduce the decay rate by a factor of 2.

  11. Evaluation of distributed hydrologic impacts of temperature-index and energy-based snow models

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Proper characterizations of snow melt and accumulation processes in the snow-dominated mountain environment are needed to understand and predict spatiotemporal distribution of water cycle components. Two commonly used strategies in modeling of snow accumulation and melt are the full energy based and...

  12. Distributions of deposited energy and ionization clusters around ion tracks studied with Geant4 toolkit

    NASA Astrophysics Data System (ADS)

    Burigo, Lucas; Pshenichnov, Igor; Mishustin, Igor; Hilgers, Gerhard; Bleicher, Marcus

    2016-05-01

    The Geant4-based Monte Carlo model for Heavy-Ion Therapy (MCHIT) was extended to study the patterns of energy deposition at sub-micrometer distance from individual ion tracks. Dose distributions for low-energy 1H, 4He, 12C and 16O ions measured in several experiments are well described by the model in a broad range of radial distances, from 0.5 to 3000 nm. Despite the fact that such distributions are characterized by long tails, a dominant fraction of deposited energy (∼80%) is confined within a radius of about 10 nm. The probability distributions of clustered ionization events in nanoscale volumes of water traversed by 1H, 2H, 4He, 6Li, 7Li, and 12C ions are also calculated. A good agreement of calculated ionization cluster-size distributions with the corresponding experimental data suggests that the extended MCHIT can be used to characterize stochastic processes of energy deposition to sensitive cellular structures.

  13. Automated Energy Distribution and Reliability System: Validation Integration - Results of Future Architecture Implementation

    SciTech Connect

    Buche, D. L.

    2008-06-01

    This report describes Northern Indiana Public Service Co. project efforts to develop an automated energy distribution and reliability system. The purpose of this project was to implement a database-driven GIS solution that would manage all of the company's gas, electric, and landbase objects. This report is second in a series of reports detailing this effort.

  14. Target normal sheath acceleration sheath fields for arbitrary electron energy distribution

    SciTech Connect

    Schmitz, Holger

    2012-08-15

    Relativistic electrons, generated by ultraintense laser pulses, travel through the target and form a space charge sheath at the rear surface which can be used to accelerate ions to high energies. If the laser pulse duration is comparable or shorter than the time needed for the electrons to travel through the target, the electrons will not have the chance to form an equilibrium distribution but must be described by a non-equilibrium distribution. We present a kinetic theory of the rear sheath for arbitrary electron distribution function f(E), where E is the electron energy, and evaluate it for different shapes of f(E). We find that the far field is mainly determined by the high energy tail of the distribution, a steep decay of f(E) for high energies results in a small electric field and vice versa. The model is extended to account for electrons escaping the sheath region thereby allowing a finite potential drop over the sheath. The consequences of the model for the acceleration of ions are discussed.

  15. Quantum mechanical method of fragment's angular and energy distribution calculation for binary and ternary fission

    SciTech Connect

    Kadmensky, S. G. Titova, L. V.; Pen'kov, N. V.

    2006-08-15

    In the framework of quantum-mechanical fission theory, the method of calculation for partial fission width amplitudes and asymptotic behavior of the fissile nucleus wave function with strong channel coupling taken into account has been suggested. The method allows one to solve the calculation problem of angular and energy distribution countation for binary and ternary fission.

  16. Experimental investigation of static ice refrigeration air conditioning system driven by distributed photovoltaic energy system

    NASA Astrophysics Data System (ADS)

    Xu, Y. F.; Li, M.; Luo, X.; Wang, Y. F.; Yu, Q. F.; Hassanien, R. H. E.

    2016-08-01

    The static ice refrigeration air conditioning system (SIRACS) driven by distributed photovoltaic energy system (DPES) was proposed and the test experiment have been investigated in this paper. Results revealed that system energy utilization efficiency is low because energy losses were high in ice making process of ice slide maker. So the immersed evaporator and co-integrated exchanger were suggested in system structure optimization analysis and the system COP was improved nearly 40%. At the same time, we have researched that ice thickness and ice super-cooled temperature changed along with time and the relationship between system COP and ice thickness was obtained.

  17. Field emission energy distributions of hydrogen and deuterium on the /100/ and /110/ planes of tungsten.

    NASA Technical Reports Server (NTRS)

    Plummer, E. W.; Bell, A. E.

    1972-01-01

    Total energy distributions of field emitted electrons from the tungsten (110) and (100) planes as a function of coverage by hydrogen and deuterium have been recorded utilizing a spherical deflection energy analyzer. The elastic tunneling resonance spectrum gives a plot of the 'local density of states' in the adsorbate. The inelastic tunneling spectrum reveals those discrete excitation energies available in the adsorbate-substrate complex. These spectroscopic data have been used to infer the chemical nature of the binding states which have been observed in the flash desorption spectrum of hydrogen from tungsten.

  18. Measurement of energy and direction distribution of neutron and photon fluences in workplace fields.

    PubMed

    Luszik-Bhadra, M; Reginatto, M; Lacoste, V

    2004-01-01

    Within the EU Project EVIDOS, a spectrometer with 24 silicon detectors mounted on the surface of a polyethylene sphere is used for the determination of the energy and direction distribution of neutrons and photons. It has been characterized with respect to neutron radiation with energies from thermal up to 15 MeV and to photon radiation with energies from 65 keV to 6 MeV. The first measurements described here were performed in the simulated workplace field, CANEL, at Cadarache, with the purpose of checking the instrument and the unfolding procedures.

  19. Smart grids: A paradigm shift on energy generation and distribution with the emergence of a new energy management business model

    NASA Astrophysics Data System (ADS)

    Cardenas, Jesus Alvaro

    An energy and environmental crisis will emerge throughout the world if we continue with our current practices of generation and distribution of electricity. A possible solution to this problem is based on the Smart grid concept, which is heavily influenced by Information and Communication Technology (ICT). Although the electricity industry is mostly regulated, there are global models used as roadmaps for Smart Grids' implementation focusing on technologies and the basic generation-distribution-transmission model. This project aims to further enhance a business model for a future global deployment. It takes into consideration the many factors interacting in this energy provision process, based on the diffusion of technologies and literature surveys on the available documents in the Internet as well as peer-reviewed publications. Tariffs and regulations, distributed energy generation, integration of service providers, consumers becoming producers, self-healing devices, and many other elements are shifting this industry into a major change towards liberalization and deregulation of this sector, which has been heavily protected by the government due to the importance of electricity for consumers. We propose an Energy Management Business Model composed by four basic elements: Supply Chain, Information and Communication Technology (ICT), Stakeholders Response, and the resulting Green Efficient Energy (GEE). We support the developed model based on the literature survey, we support it with the diffusion analysis of these elements, and support the overall model with two surveys: one for peers and professionals, and other for experts in the field, based on the Smart Grid Carnegie Melon Maturity Model (CMU SEI SGMM). The contribution of this model is a simple path to follow for entities that want to achieve environmental friendly energy with the involvement of technology and all stakeholders.

  20. Enhancement of the dissolution rate and bioavailability of fenofibrate by a melt-adsorption method using supercritical carbon dioxide

    PubMed Central

    Cha, Kwang-Ho; Cho, Kyung-Jin; Kim, Min-Soo; Kim, Jeong-Soo; Park, Hee Jun; Park, Junsung; Cho, Wonkyung; Park, Jeong-Sook; Hwang, Sung-Joo

    2012-01-01

    Background: The aim of this study was to enhance the bioavailability of fenofibrate, a poorly water-soluble drug, using a melt-adsorption method with supercritical CO2. Methods: Fenofibrate was loaded onto Neusilin® UFL2 at different weight ratios of fenofibrate to Neusilin UFL2 by melt-adsorption using supercritical CO2. For comparison, fenofibrate-loaded Neusilin UFL2 was prepared by solvent evaporation and hot melt-adsorption methods. The fenofibrate formulations prepared were characterized by differential scanning calorimetry, powder x-ray diffractometry, specific surface area, pore size distribution, scanning electron microscopy, and energy-dispersive x-ray spectrometry. In vitro dissolution and in vivo bioavailability were also investigated. Results: Fenofibrate was distributed into the pores of Neusilin UFL2 and showed reduced crystal formation following adsorption. Supercritical CO2 facilitated the introduction of fenofibrate into the pores of Neusilin UFL2. Compared with raw fenofibrate, fenofibrate from the prepared powders showed a significantly increased dissolution rate and better bioavailability. In particular, the area under the drug concentration-time curve and maximal serum concentration of the powders prepared using supercritical CO2 were 4.62-fold and 4.52-fold greater than the corresponding values for raw fenofibrate. Conclusion: The results of this study highlight the usefulness of the melt-adsorption method using supercritical CO2 for improving the bioavailability of fenofibrate. PMID:23118538

  1. Adsorption behavior of beryllium(II) on copper-oxide nanoparticles dispersed in water: A model for (7)Be colloid formation in the cooling water for electromagnets at high-energy accelerator facilities.

    PubMed

    Bessho, Kotaro; Kanaya, Naoki; Shimada, Saki; Katsuta, Shoichi; Monjushiro, Hideaki

    2014-01-01

    The adsorption behavior of Be(II) on CuO nanoparticles dispersed in water was studied as a model for colloid formation of radioactive (7)Be nuclides in the cooling water used for electromagnets at high-energy proton accelerator facilities. An aqueous Be(II) solution and commercially available CuO nanoparticles were mixed, and the adsorption of Be(II) on CuO was quantitatively examined. From a detailed analysis of the adsorption data measured as a function of the pH, it was confirmed that Be(II) is adsorbed on the CuO nanoparticles by complex formation with the hydroxyl groups on the CuO surface (>S-OH) according to the following equation: n > S-OH + Be(2+) ⇔ (>S-O)n Be((2-n)+) + nH(+) (n = 2, 3) S : solid surface. The surface-complexation constants corresponding to the above equilibrium, β(s,2) and β(s,3), were determined for four types of CuO nanoparticles. The β(s,2) value was almost independent of the type of nanoparticle, whereas the β(s,3) values varied with the particle size. These complexation constants successfully explain (7)Be colloid formation in the cooling water used for electromagnets at the 12-GeV proton accelerator facility.

  2. Energy dependence of nuclear charge distribution in neutron induced fission of Z-even nuclei

    NASA Astrophysics Data System (ADS)

    Roshchenko, V. A.; Piksaikin, V. M.; Isaev, S. G.; Goverdovski, A. A.

    2006-07-01

    For the first time the distribution of nuclear charge of fission products with mass numbers 87, 88, 89, 91, 93, 94, 95, 137, 138, 139, and 140 and their complementary products have been studied for neutron induced fission of U235 and Pu239 in the energy range from thermal up to 1.2 MeV. The energy dependences of the cumulative yields of Br87, Br88, Br89, Br91, Kr93, Rb94, Rb95, I137, I138, I139, and I140 have been obtained by delayed neutron measurements. The most probable charge ZP(A)in the appropriate isobaric β-decay chains was estimated. The results were analyzed in terms of the deviation ΔZP(A') of the most probable charge of isobaric β-decay chains from the unchanged charge distribution before prompt neutron emission (nuclear charge polarization) and they are compared with experimental data of other authors and with predictions from Nethaway's ZP-formula and Wahl's ZP-model. We show that the nuclear charge polarization of primary fission fragments <ΔZP(A')> before prompt neutron evaporation decreases as the excitation energy of the compound nucleus increases. This decrease is more pronounced for fission of U235. The energy dependencies of ΔZP(A') and ΔZP(ZP) obtained in the present work show an attenuation of the odd-even effects in the charge distribution as the excitation energy of the compound nucleus increases.

  3. Statistical Measurement of the Gamma-Ray Source-count Distribution as a Function of Energy

    NASA Astrophysics Data System (ADS)

    Zechlin, Hannes-S.; Cuoco, Alessandro; Donato, Fiorenza; Fornengo, Nicolao; Regis, Marco

    2016-08-01

    Statistical properties of photon count maps have recently been proven as a new tool to study the composition of the gamma-ray sky with high precision. We employ the 1-point probability distribution function of six years of Fermi-LAT data to measure the source-count distribution dN/dS and the diffuse components of the high-latitude gamma-ray sky as a function of energy. To that aim, we analyze the gamma-ray emission in five adjacent energy bands between 1 and 171 GeV. It is demonstrated that the source-count distribution as a function of flux is compatible with a broken power law up to energies of ˜50 GeV. The index below the break is between 1.95 and 2.0. For higher energies, a simple power-law fits the data, with an index of {2.2}-0.3+0.7 in the energy band between 50 and 171 GeV. Upper limits on further possible breaks as well as the angular power of unresolved sources are derived. We find that point-source populations probed by this method can explain {83}-13+7% ({81}-19+52%) of the extragalactic gamma-ray background between 1.04 and 1.99 GeV (50 and 171 GeV). The method has excellent capabilities for constraining the gamma-ray luminosity function and the spectra of unresolved blazars.

  4. Gaussian energy distribution of fast ions emitted by laser-produced plasmas

    NASA Astrophysics Data System (ADS)

    Krása, J.

    2013-05-01

    The analysis of ion collector signals with the use of a time-of-fight signal function derived from a shifted Maxwell-Boltzmann velocity distribution is used to quantify the ion characteristics as the ion temperature and velocity of centre-of-mass motion of groups of ionized species constituting the ablated plasma. The analysis is also focused on velocity and energy distributions derived from the signal of a time-of-flight detector taking into account the underlying principle of sensor operation. The energy Maxwell spectra of ions are compared with the Gauss distribution with respect to the ratio of the centre-of-mass energy of ions to their temperature. The difference threshold between the Gauss and energy Maxwell spectra is determined via the limited validity of the basic relationship between spreads in energy and time-of-flight spectra ½ΔE/E = Δt/t. The analysis of velocity spectrum of fast ions emitted by Ti plasma produced with 300 ps, kJ-class iodine laser operating at PALS facility shows that ion bursts consist of almost monoenergetic ion beams.

  5. Ion energy distribution near a plasma meniscus with beam extraction for multi element focused ion beams

    SciTech Connect

    Mathew, Jose V.; Paul, Samit; Bhattacharjee, Sudeep

    2010-05-15

    An earlier study of the axial ion energy distribution in the extraction region (plasma meniscus) of a compact microwave plasma ion source showed that the axial ion energy spread near the meniscus is small ({approx}5 eV) and comparable to that of a liquid metal ion source, making it a promising candidate for focused ion beam (FIB) applications [J. V. Mathew and S. Bhattacharjee, J. Appl. Phys. 105, 96101 (2009)]. In the present work we have investigated the radial ion energy distribution (IED) under the influence of beam extraction. Initially a single Einzel lens system has been used for beam extraction with potentials up to -6 kV for obtaining parallel beams. In situ measurements of IED with extraction voltages upto -5 kV indicates that beam extraction has a weak influence on the energy spread ({+-}0.5 eV) which is of significance from the point of view of FIB applications. It is found that by reducing the geometrical acceptance angle at the ion energy analyzer probe, close to unidirectional distribution can be obtained with a spread that is smaller by at least 1 eV.

  6. Ion Energy Distributions and their Relative Abundance in Inductively Coupled Plasmas

    NASA Technical Reports Server (NTRS)

    Kim, J. S.; Rao, M. V. V. S.; Cappelli, M. A.; Sharma, S. P.; Arnold, James O. (Technical Monitor)

    1998-01-01

    Study of kinetics of ions and neutrals produced in high density inductively coupled plasma (ICP) discharges is of great importance for achieving a high degree of plasma assisted deposition and etching. In this paper, we present the ion energy distributions (IEDs) of various ions arriving at the grounded lower electrode. The ions were energy as well as mass analyzed by a combination of electrostatic analyzer-quadrupole mass spectrometer for pure Ar and CF4/Ar mixtures. The measurements have been made at gas pressures ranging from 30 to 100 mTorr. In addition, the IEDs were measured when the wafer-supporting electrode was also rf-powered and the effect of the self-bias was observed in the energy distributions of ions. The shapes of the IEDs are discussed an related to the sheath properties and measured electrical waveforms, as a function of pressure and applied power. Relative ion intensities were obtained by integration of each ion kinetic energy distribution function over its energy range.

  7. Model documentation: Natural gas transmission and distribution model of the National Energy Modeling System. Volume 1

    SciTech Connect

    1995-02-17

    The Natural Gas Transmission and Distribution Model (NGTDM) is the component of the National Energy Modeling System (NEMS) that is used to represent the domestic natural gas transmission and distribution system. NEMS was developed in the Office of integrated Analysis and Forecasting of the Energy information Administration (EIA). NEMS is the third in a series of computer-based, midterm energy modeling systems used since 1974 by the EIA and its predecessor, the Federal Energy Administration, to analyze domestic energy-economy markets and develop projections. The NGTDM is the model within the NEMS that represents the transmission, distribution, and pricing of natural gas. The model also includes representations of the end-use demand for natural gas, the production of domestic natural gas, and the availability of natural gas traded on the international market based on information received from other NEMS models. The NGTDM determines the flow of natural gas in an aggregate, domestic pipeline network, connecting domestic and foreign supply regions with 12 demand regions. The methodology employed allows the analysis of impacts of regional capacity constraints in the interstate natural gas pipeline network and the identification of pipeline capacity expansion requirements. There is an explicit representation of core and noncore markets for natural gas transmission and distribution services, and the key components of pipeline tariffs are represented in a pricing algorithm. Natural gas pricing and flow patterns are derived by obtaining a market equilibrium across the three main elements of the natural gas market: the supply element, the demand element, and the transmission and distribution network that links them. The NGTDM consists of four modules: the Annual Flow Module, the Capacity F-expansion Module, the Pipeline Tariff Module, and the Distributor Tariff Module. A model abstract is provided in Appendix A.

  8. Construction of energy landscapes can clarify the movement and distribution of foraging animals

    PubMed Central

    Wilson, Rory P.; Quintana, Flavio; Hobson, Victoria J.

    2012-01-01

    Variation in the physical characteristics of the environment should impact the movement energetics of animals. Although cognizance of this may help interpret movement ecology, determination of the landscape-dependent energy expenditure of wild animals is problematic. We used accelerometers in animal-attached tags to derive energy expenditure in 54 free-living imperial cormorants Phalacrocorax atriceps and construct an energy landscape of the area around a breeding colony. Examination of the space use of a further 74 birds over 4 years showed that foraging areas selected varied considerably in distance from the colony and water depth, but were characterized by minimal power requirements compared with other areas in the available landscape. This accords with classic optimal foraging concepts, which state that animals should maximize net energy gain by minimizing costs where possible and show how deriving energy landscapes can help understand how and why animals distribute themselves in space. PMID:21900327

  9. Construction of energy landscapes can clarify the movement and distribution of foraging animals.

    PubMed

    Wilson, Rory P; Quintana, Flavio; Hobson, Victoria J

    2012-03-01

    Variation in the physical characteristics of the environment should impact the movement energetics of animals. Although cognizance of this may help interpret movement ecology, determination of the landscape-dependent energy expenditure of wild animals is problematic. We used accelerometers in animal-attached tags to derive energy expenditure in 54 free-living imperial cormorants Phalacrocorax atriceps and construct an energy landscape of the area around a breeding colony. Examination of the space use of a further 74 birds over 4 years showed that foraging areas selected varied considerably in distance from the colony and water depth, but were characterized by minimal power requirements compared with other areas in the available landscape. This accords with classic optimal foraging concepts, which state that animals should maximize net energy gain by minimizing costs where possible and show how deriving energy landscapes can help understand how and why animals distribute themselves in space. PMID:21900327

  10. Fast Calculations of Electrostatic Solvation Free Energy from Reconstructed Solvent Density Using Proximal Radial Distribution Functions

    SciTech Connect

    Lin, Bin; Wong, Ka-Yiu; Hu, Char Y.; Kokubo, Hironori; Pettitt, Bernard M.

    2011-07-07

    Although detailed atomic models may be applied for a full description of solvation, simpler phenomenologicalmodels are particularly useful to interpret the results for scanning many large, complex systems, where a full atomic model is too computationally expensive to use. Among the most costly are solvation free-energy evaluations by simulation. Here we develop a fast way to calculate electrostatic solvation free energy while retaining much of the accuracy of explicit solvent free-energy simulation. The basis of our method is to treat the solvent not as a structureless dielectric continuum but as a structured medium by making use of universal proximal radial distribution functions. Using a deca-alanine peptide as a test case, we compare the use of our theory with free-energy simulations and traditional continuum estimates of the electrostatic solvation free energy.

  11. Model Predictive Control-based Optimal Coordination of Distributed Energy Resources

    SciTech Connect

    Mayhorn, Ebony T.; Kalsi, Karanjit; Lian, Jianming; Elizondo, Marcelo A.

    2013-04-03

    Distributed energy resources, such as renewable energy resources (wind, solar), energy storage and demand response, can be used to complement conventional generators. The uncertainty and variability due to high penetration of wind makes reliable system operations and controls challenging, especially in isolated systems. In this paper, an optimal control strategy is proposed to coordinate energy storage and diesel generators to maximize wind penetration while maintaining system economics and normal operation performance. The goals of the optimization problem are to minimize fuel costs and maximize the utilization of wind while considering equipment life of generators and energy storage. Model predictive control (MPC) is used to solve a look-ahead dispatch optimization problem and the performance is compared to an open loop look-ahead dispatch problem. Simulation studies are performed to demonstrate the efficacy of the closed loop MPC in compensating for uncertainties and variability caused in the system.

  12. Model Predictive Control-based Optimal Coordination of Distributed Energy Resources

    SciTech Connect

    Mayhorn, Ebony T.; Kalsi, Karanjit; Lian, Jianming; Elizondo, Marcelo A.

    2013-01-07

    Distributed energy resources, such as renewable energy resources (wind, solar), energy storage and demand response, can be used to complement conventional generators. The uncertainty and variability due to high penetration of wind makes reliable system operations and controls challenging, especially in isolated systems. In this paper, an optimal control strategy is proposed to coordinate energy storage and diesel generators to maximize wind penetration while maintaining system economics and normal operation performance. The goals of the optimization problem are to minimize fuel costs and maximize the utilization of wind while considering equipment life of generators and energy storage. Model predictive control (MPC) is used to solve a look-ahead dispatch optimization problem and the performance is compared to an open loop look-ahead dispatch problem. Simulation studies are performed to demonstrate the efficacy of the closed loop MPC in compensating for uncertainties and variability caused in the system.

  13. Optimal Location through Distributed Algorithm to Avoid Energy Hole in Mobile Sink WSNs

    PubMed Central

    Qing-hua, Li; Wei-hua, Gui; Zhi-gang, Chen

    2014-01-01

    In multihop data collection sensor network, nodes near the sink need to relay on remote data and, thus, have much faster energy dissipation rate and suffer from premature death. This phenomenon causes energy hole near the sink, seriously damaging the network performance. In this paper, we first compute energy consumption of each node when sink is set at any point in the network through theoretical analysis; then we propose an online distributed algorithm, which can adjust sink position based on the actual energy consumption of each node adaptively to get the actual maximum lifetime. Theoretical analysis and experimental results show that the proposed algorithms significantly improve the lifetime of wireless sensor network. It lowers the network residual energy by more than 30% when it is dead. Moreover, the cost for moving the sink is relatively smaller. PMID:24895668

  14. Energy Distributions in Szekeres Type I and II Space-Times

    NASA Astrophysics Data System (ADS)

    Ayguen, S.; Ayguen, M.; Tarhan, I.

    2006-10-01

    In this study, in context of general relativity we consider Einstein, Bergmann-Thomson, M{o}ller and Landau-Lifshitz energy-momentum definitions and we compute the total energy distribution (due to matter and fields including gravitation) of the universe based on Szekeres class I and class II space-times. We show that Einstein and Bergmann-Thomson definitions of the energy-momentum complexes give the same results, while M{o}ller's and Landau-Lifshitz's energy-momentum definition does not provide same results for Szekeres class II space. The definitions of Einstein, Bergmann-Thomson and M{o}ller definitions of the energy-momentum complexes give similar results in Szekeres class I space-time.

  15. Energy distribution of field emission electrons from a niobium <111> tip

    NASA Astrophysics Data System (ADS)

    Nagaoka, K.; Ogawa, H.; Arai, N.; Uchiyama, S.; Yamashita, T.; Oshima, C.; Otani, S.

    1996-06-01

    We have fabricated Nb<111> tips by electrochemical polishing from the single crystal wires along the <111> orientation, which has been prepared by means of floating zone, spark erosion, and mechanical polishing techniques. The energy distribution of the field emission electrons from the Nb<111> tip has been measured at room temperature using a high resolution electron spectrometer recently developed. The experiments were carried out in vacuum of ˜ 3 × 10 -9 Pa, and the tip surface was cleaned by field evaporation. The main part of the energy distribution is in agreement with the theoretical curves calculated on the basis of the Fowler-Nordheim theory. Two discrepancies are observed on low and high energy sides.

  16. Effects of Home Energy Management Systems on Distribution Utilities and Feeders Under Various Market Structures: Preprint

    SciTech Connect

    Ruth, Mark; Pratt, Annabelle; Lunacek, Monte; Mittal, Saurabh; Wu, Hongyu; Jones, Wesley

    2015-07-17

    The combination of distributed energy resources (DER) and retail tariff structures to provide benefits to both utility consumers and the utilities is poorly understood. To improve understanding, an Integrated Energy System Model (IESM) is being developed to simulate the physical and economic aspects of DER technologies, the buildings where they reside, and feeders servicing them. The IESM was used to simulate 20 houses with home energy management systems on a single feeder under a time of use tariff to estimate economic and physical impacts on both the households and the distribution utilities. HEMS reduce consumers’ electric bills by precooling houses in the hours before peak electricity pricing. Household savings are greater than the reduction utility net revenue indicating that HEMS can provide a societal benefit providing tariffs are structured so that utilities remain solvent. Utilization of HEMS reduce peak loads during high price hours but shifts it to hours with off-peak and shoulder prices and resulting in a higher peak load.

  17. Size distributions of air showers accompanied with high energy gamma ray bundles observed at Mt. Chacaltaya

    NASA Technical Reports Server (NTRS)

    Matano, T.; Machida, M.; Tsuchima, I.; Kawasumi, N.; Honda, K.; Hashimoto, K.; Martinic, N.; Zapata, J.; Navia, C. E.; Aquirre, C.

    1985-01-01

    Size distributions of air showers accompanied with bundle of high energy gamma rays and/or large size bursts under emulsion chambers, to study the composition of primary cosmic rays and also characteristics of high energy nuclear interaction. Air showers initiated by particles with a large cross section of interaction may develop from narrow region of the atmosphere near the top. Starting levels of air showers by particles with smaller cross section fluctuate in wider region of the atmosphere. Air showers of extremely small size accompanied with bundle of gamma rays may be ones initiated by protons at lower level after penetrating deep atmosphere without interaction. It is determined that the relative size distribution according to the total energy of bundle of gamma rays and the total burst size observed under 15 cm lead absorber.

  18. United States Supports Distributed Wind Technology Improvements; NREL (National Renewable Energy Laboratory)

    SciTech Connect

    Sinclair, Karin

    2015-06-15

    This presentation provides information on the activities conducted through the Competitiveness Improvement Project (CIP), initiated in 2012 by the U.S. Department of Energy (DOE) and executed through the National Renewable Energy Laboratory (NREL) to support the distributed wind industry. The CIP provides research and development funding and technical support to improve distributed wind turbine technology and increase the competitiveness of U.S. small and midsize wind turbine manufacturers. Through this project, DOE/NREL assists U.S. manufacturers to lower the levelized cost of energy of wind turbines through component improvements, manufacturing process upgrades, and turbine testing. Ultimately, this support is expected to lead to turbine certification through testing to industry-recognized wind turbine performance and safety standards.

  19. Radiation safety assessment of a system of small reactors for distributed energy.

    PubMed

    Odano, N; Ishida, T

    2005-01-01

    A passively safe small reactor for a distributed energy system, PSRD, is an integral type of light-water reactor with a thermal output of 100 or 300 MW aimed to be used for supplying district heat, electricity to small grids, and so on. Candidate locations for the PSRD as a distributed energy source are on-ground, deep underground, and in a seaside pit in the vicinity of the energy consumption area. Assessments of the radiation safety of a PSRD were carried out for three cases corresponding to normal operation, shutdown and a hypothetical postulated accident for several siting candidates. Results of the radiation safety assessment indicate that the PSRD design has sufficient shielding performance and capability and that the exposure to the general public is very low in the case of a hypothetical accident.

  20. Installation of the first Distributed Energy Storage System (DESS) at American Electric Power (AEP).

    SciTech Connect

    Nourai, Ali

    2007-06-01

    AEP studied the direct and indirect benefits, strengths, and weaknesses of distributed energy storage systems (DESS) and chose to transform its entire utility grid into a system that achieves optimal integration of both central and distributed energy assets. To that end, AEP installed the first NAS battery-based, energy storage system in North America. After one year of operation and testing, AEP has concluded that, although the initial costs of DESS are greater than conventional power solutions, the net benefits justify the AEP decision to create a grid of DESS with intelligent monitoring, communications, and control, in order to enable the utility grid of the future. This report details the site selection, construction, benefits and lessons learned of the first installation, at Chemical Station in North Charleston, WV.

  1. A numerical method for determining highly precise electron energy distribution functions from Langmuir probe characteristics

    SciTech Connect

    Bang, Jin-Young; Chung, Chin-Wook

    2010-12-15

    Electron energy distribution functions (EEDFs) were determined from probe characteristics using a numerical ac superimposed method with a distortion correction of high derivative terms by varying amplitude of a sinusoidal perturbation voltage superimposed onto the dc sweep voltage, depending on the related electron energy. Low amplitude perturbation applied around the plasma potential represented the low energy peak of the EEDF exactly, and high amplitude perturbation applied around the floating potential was effective to suppress noise or distortion of the probe characteristic, which is fatal to the tail electron distribution. When a small random noise was imposed over the stabilized prove characteristic, the numerical differentiation method was not suitable to determine the EEDF, while the numerical ac superimposed method was able to obtain a highly precise EEDF.

  2. Free energy calculations, enhanced by a Gaussian ansatz, for the "chemical work" distribution.

    PubMed

    Boulougouris, Georgios C

    2014-05-15

    The evaluation of the free energy is essential in molecular simulation because it is intimately related with the existence of multiphase equilibrium. Recently, it was demonstrated that it is possible to evaluate the Helmholtz free energy using a single statistical ensemble along an entire isotherm by accounting for the "chemical work" of transforming each molecule, from an interacting one, to an ideal gas. In this work, we show that it is possible to perform such a free energy perturbation over a liquid vapor phase transition. Furthermore, we investigate the link between a general free energy perturbation scheme and the novel nonequilibrium theories of Crook's and Jarzinsky. We find that for finite systems away from the thermodynamic limit the second law of thermodynamics will always be an inequality for isothermal free energy perturbations, resulting always to a dissipated work that may tend to zero only in the thermodynamic limit. The work, the heat, and the entropy produced during a thermodynamic free energy perturbation can be viewed in the context of the Crooks and Jarzinsky formalism, revealing that for a given value of the ensemble average of the "irreversible" work, the minimum entropy production corresponded to a Gaussian distribution for the histogram of the work. We propose the evaluation of the free energy difference in any free energy perturbation based scheme on the average irreversible "chemical work" minus the dissipated work that can be calculated from the variance of the distribution of the logarithm of the work histogram, within the Gaussian approximation. As a consequence, using the Gaussian ansatz for the distribution of the "chemical work," accurate estimates for the chemical potential and the free energy of the system can be performed using much shorter simulations and avoiding the necessity of sampling the computational costly tails of the "chemical work." For a more general free energy perturbation scheme that the Gaussian ansatz may not be

  3. Gas adsorption capacity of wood pellets

    DOE PAGES

    Yazdanpanah, F.; Sokhansanj, Shahabaddine; Lim, C. Jim; Lau, A.; Bi, X. T.

    2016-02-03

    In this paper, temperature-programmed desorption (TPD) analysis was used to measure and analyze the adsorption of off-gases and oxygen by wood pellets during storage. Such information on how these gases interact with the material helps in the understanding of the purging/stripping behavior of off-gases to develop effective ventilation strategies for wood pellets. Steam-exploded pellets showed the lowest carbon dioxide (CO2) uptake compared to the regular and torrefied pellets. The high CO2 adsorption capacity of the torrefied pellets could be attributed to their porous structure and therefore greater available surface area. Quantifying the uptake of carbon monoxide by pellets was challengingmore » due to chemical adsorption, which formed a strong bond between the material and carbon monoxide. The estimated energy of desorption for CO (97.8 kJ/mol) was very high relative to that for CO2 (7.24 kJ/mol), demonstrating the mechanism of chemical adsorption and physical adsorption for CO and CO2, respectively. As for oxygen, the strong bonds that formed between the material and oxygen verified the existence of chemical adsorption and formation of an intermediate material.« less

  4. Kinetic energy distribution of multiply charged ions in Coulomb explosion of Xe clusters.

    PubMed

    Heidenreich, Andreas; Jortner, Joshua

    2011-02-21

    We report on the calculations of kinetic energy distribution (KED) functions of multiply charged, high-energy ions in Coulomb explosion (CE) of an assembly of elemental Xe(n) clusters (average size (n) = 200-2171) driven by ultra-intense, near-infrared, Gaussian laser fields (peak intensities 10(15) - 4 × 10(16) W cm(-2), pulse lengths 65-230 fs). In this cluster size and pulse parameter domain, outer ionization is incomplete∕vertical, incomplete∕nonvertical, or complete∕nonvertical, with CE occurring in the presence of nanoplasma electrons. The KEDs were obtained from double averaging of single-trajectory molecular dynamics simulation ion kinetic energies. The KEDs were doubly averaged over a log-normal cluster size distribution and over the laser intensity distribution of a spatial Gaussian beam, which constitutes either a two-dimensional (2D) or a three-dimensional (3D) profile, with the 3D profile (when the cluster beam radius is larger than the Rayleigh length) usually being experimentally realized. The general features of the doubly averaged KEDs manifest the smearing out of the structure corresponding to the distribution of ion charges, a marked increase of the KEDs at very low energies due to the contribution from the persistent nanoplasma, a distortion of the KEDs and of the average energies toward lower energy values, and the appearance of long low-intensity high-energy tails caused by the admixture of contributions from large clusters by size averaging. The doubly averaged simulation results account reasonably well (within 30%) for the experimental data for the cluster-size dependence of the CE energetics and for its dependence on the laser pulse parameters, as well as for the anisotropy in the angular distribution of the energies of the Xe(q+) ions. Possible applications of this computational study include a control of the ion kinetic energies by the choice of the laser intensity profile (2D∕3D) in the laser-cluster interaction volume.

  5. Distributed energy resources customer adoption modeling with combined heat and power applications

    SciTech Connect

    Siddiqui, Afzal S.; Firestone, Ryan M.; Ghosh, Srijay; Stadler, Michael; Edwards, Jennifer L.; Marnay, Chris

    2003-07-01

    In this report, an economic model of customer adoption of distributed energy resources (DER) is developed. It covers progress on the DER project for the California Energy Commission (CEC) at Berkeley Lab during the period July 2001 through Dec 2002 in the Consortium for Electric Reliability Technology Solutions (CERTS) Distributed Energy Resources Integration (DERI) project. CERTS has developed a specific paradigm of distributed energy deployment, the CERTS Microgrid (as described in Lasseter et al. 2002). The primary goal of CERTS distributed generation research is to solve the technical problems required to make the CERTS Microgrid a viable technology, and Berkeley Lab's contribution is to direct the technical research proceeding at CERTS partner sites towards the most productive engineering problems. The work reported herein is somewhat more widely applicable, so it will be described within the context of a generic microgrid (mGrid). Current work focuses on the implementation of combined heat and power (CHP) capability. A mGrid as generically defined for this work is a semiautonomous grouping of generating sources and end-use electrical loads and heat sinks that share heat and power. Equipment is clustered and operated for the benefit of its owners. Although it can function independently of the traditional power system, or macrogrid, the mGrid is usually interconnected and exchanges energy and possibly ancillary services with the macrogrid. In contrast to the traditional centralized paradigm, the design, implementation, operation, and expansion of the mGrid is meant to optimize the overall energy system requirements of participating customers rather than the objectives and requirements of the macrogrid.

  6. Investigating Possible Departures from Maxwellian Energy Distributions in Nebulae using High-Resolution Emission Line Spectra

    NASA Astrophysics Data System (ADS)

    Turbyfill, Amanda; Dinerstein, H. L.; Sterling, N. C.

    2014-01-01

    The derivation of ionic abundance ratios from collisionally excited emission lines in gaseous nebulae requires knowledge of the physical state of the gas, particularly the electron kinetic temperature, Te, to which the resulting abundances are highly sensitive. A long-standing problem in nebular analyses has been pervasive discrepancies among values of Te obtained from different diagnostic ratios for a single nebula. Recently, Nicholls et al. (2012, ApJ, 752, 148) have suggested that the nebular electrons may not obey an equilibrium Maxwell-Boltzmann (M-B) energy distribution, but instead follow a “κ distribution” seen in many solar system plasmas, a family of distributions for which the M-B distribution is the limiting case where κ → ∞. The high-energy tail of supra-thermal electrons in κ distributions have a disproportionate effect on strongly energy dependent quantities, such as Te diagnostics, for even modest departures from M-B distributions. We apply prescriptions given by Nicholls et al. (2013, ApJS, 207, 21) to high-resolution (R=36,700) optical spectra of 10 planetary nebulae obtained with the 2d-coudé echelle spectrograph on the 2.7 m Harlan J. Smith Telescope at McDonald Observatory. The advantages of these data include their broad spectral coverage and sufficiently high spectral resolution to separate blended lines and assess possible atmospheric absorption issues. The line fluxes were obtained using ROBOSPECT, an automated spectral line measurement package developed by Waters & Hollek (2013, PASP, 125, 1164). We solve both for Te under the assumption of M-B distributions, and the parameters of κ distributions consistent with the data. Our goal is to test whether the κ distribution hypothesis provides a better fit to the observed line ratios. Finally, we discuss effects on the derived ionic abundances under this alternate description of the particle energy distributions. This research was supported by NSF grant AST 0708245 and the John W

  7. Real-time measurement of RFR energy distribution in the Macaca mulatta head

    SciTech Connect

    Burr, J.G.; Krupp, J.H.

    1980-01-01

    Temperature increases due to absorption of 1.2 GHz, CW, 70 mW/cm2, radio frequency (RF) energy, were measured in 3.3-cm-radius homogeneous muscle-equivalent spheres, M. mulatta cadaver heads (both detached from and attached to the body) and living, anesthetized M. mulatta heads. Temperatures were measured with a Vitek, Model 101 Electrothermia Monitor and temperature distributions were compared to theoretical predictions from a thermal-response model of a simulated cranial structure. The results show that the thermal response model accurately predicts the temperature distribution in muscle-equivalent spheres, the distribution of temperature in detached M. mulatta heads when exposed from the back of the head, and the distribution of temperature in attached M. mulatta cadaver heads for animals oriented with body parallel to the H-field. The temperature distribution in the detached M. mulatta heads varies markedly with exposure orientation, ie, facing forward, backward, or to the side. The orientation of the M. mulatta cadaver body significantly affects the temperature distribution in the head - with H-field orientation showing high, nonuniform values, and E-field orientation showing low, uniform values. In live animals blood flow produces a significant short-term effect on the temperature distribution in the midbrain, but not the cortex. Midbrain temperatures are both significantly higher and lower than the comparable cadaver measurements, depending on location.

  8. Adsorption of Ar on individual carbon nanotubes, graphene, and graphite

    NASA Astrophysics Data System (ADS)

    Dzyubenko, Boris; Kahn, Joshua; Vilches, Oscar; Cobden, David

    2015-03-01

    We compare and contrast results of adsorption measurements of Ar on single-walled carbon nanotubes, graphene, and graphite. Adsorption isotherms on individual suspended nanotubes were obtained using both the mechanical resonance frequency shift (sensitive to mass adsorption) and the electrical conductance. Isotherms on graphene mounted on hexagonal boron nitride were obtained using only the conductance. New volumetric adsorption isotherms on bulk exfoliated graphite were also obtained, paying special attention to the very low coverage region (less than 2% of a monolayer). This allowed us to compare the degree of heterogeneity on the three substrate types, the binding energies, and the van der Waals 2D parameters. Research supported by NSF DMR 1206208.

  9. Energy distribution functions of kilovolt ions parallel and perpendicular to the magnetic field of a modified Penning discharge

    NASA Technical Reports Server (NTRS)

    Roth, R. J.

    1973-01-01

    The distribution function of ion energy parallel to the magnetic field of a modified Penning discharge has been measured with a retarding potential energy analyzer. These ions escaped through one of the throats of the magnetic mirror geometry. Simultaneous measurements of the ion energy distribution function perpendicular to the magnetic field have been made with a charge exchange neutral detector. The ion energy distribution functions are approximately Maxwellian, and the parallel and perpendicular kinetic temperatures are equal within experimental error. These results suggest that turbulent processes previously observed in this discharge Maxwellianize the velocity distribution along a radius in velocity space and cause an isotropic energy distribution. When the distributions depart from Maxwellian, they are enhanced above the Maxwellian tail.

  10. Hybrid adsorptive membrane reactor

    NASA Technical Reports Server (NTRS)

    Tsotsis, Theodore T. (Inventor); Sahimi, Muhammad (Inventor); Fayyaz-Najafi, Babak (Inventor); Harale, Aadesh (Inventor); Park, Byoung-Gi (Inventor); Liu, Paul K. T. (Inventor)

    2011-01-01

    A hybrid adsorbent-membrane reactor in which the chemical reaction, membrane separation, and product adsorption are coupled. Also disclosed are a dual-reactor apparatus and a process using the reactor or the apparatus.

  11. Hybrid adsorptive membrane reactor

    DOEpatents

    Tsotsis, Theodore T.; Sahimi, Muhammad; Fayyaz-Najafi, Babak; Harale, Aadesh; Park, Byoung-Gi; Liu, Paul K. T.

    2011-03-01

    A hybrid adsorbent-membrane reactor in which the chemical reaction, membrane separation, and product adsorption are coupled. Also disclosed are a dual-reactor apparatus and a process using the reactor or the apparatus.

  12. Time evolution of the electron energy distribution function in pulsed microwave magnetoplasma in H2

    NASA Astrophysics Data System (ADS)

    Jauberteau, J. L.; Jauberteau, I.; Cortázar, O. D.; Megía-Macías, A.

    2016-03-01

    Time evolution of the Electron Energy Distribution Function (EEDF) is measured in pulsed hydrogen microwave magnetoplasma working at 2.45 GHz. Analysis is performed both in resonance (B = 0.087 T) and off-resonance conditions (B = 0.120 T), at two pressures (0.38 Pa and 0.62 Pa), respectively, and for different incident microwave powers. The important effect of the magnetic field on the electron kinetic is discussed, and a critical analysis of Langmuir probe measurements is given. The Electron Energy Distribution Function is calculated using the Druyvesteyn theory (EEDF) and is corrected using the theory developed by Arslanbekov in the case of magnetized plasma. Three different components are observed in the EEDF, whatever the theory used. They are: (a) a low electron energy component at energy lower than 10 eV, which is ascribed to the electron having inelastic collisions with heavy species (H2, H, ions), (b) a high energy component with a mean energy ranging from 10 to 20 eV, which is generally ascribed to the heating of the plasma by the incident microwave power, and (c) a third component observed between the two other ones, mainly at low pressure and in resonance conditions, has been correlated to the electron rotation in the magnetic field.

  13. Modeling of thermal storage systems in MILP distributed energy resource models

    DOE PAGES

    Steen, David; Stadler, Michael; Cardoso, Gonçalo; Groissböck, Markus; DeForest, Nicholas; Marnay, Chris

    2014-08-04

    Thermal energy storage (TES) and distributed generation technologies, such as combined heat and power (CHP) or photovoltaics (PV), can be used to reduce energy costs and decrease CO2 emissions from buildings by shifting energy consumption to times with less emissions and/or lower energy prices. To determine the feasibility of investing in TES in combination with other distributed energy resources (DER), mixed integer linear programming (MILP) can be used. Such a MILP model is the well-established Distributed Energy Resources Customer Adoption Model (DER-CAM); however, it currently uses only a simplified TES model to guarantee linearity and short run-times. Loss calculations aremore » based only on the energy contained in the storage. This paper presents a new DER-CAM TES model that allows improved tracking of losses based on ambient and storage temperatures, and compares results with the previous version. A multi-layer TES model is introduced that retains linearity and avoids creating an endogenous optimization problem. The improved model increases the accuracy of the estimated storage losses and enables use of heat pumps for low temperature storage charging. Ultimately,results indicate that the previous model overestimates the attractiveness of TES investments for cases without possibility to invest in heat pumps and underestimates it for some locations when heat pumps are allowed. Despite a variation in optimal technology selection between the two models, the objective function value stays quite stable, illustrating the complexity of optimal DER sizing problems in buildings and microgrids.« less

  14. [Adsorption kinetics of reactive dyes on activated carbon fiber].

    PubMed

    Li, Ying; Yue, Qin-Yan; Gao, Bao-Yu; Yang, Jing; Zheng, Yan

    2007-11-01

    The adsorption capability of activated carbon fiber (ACF) to four reactive dyes (reactive brilliant red K-2BP, reactive turquoise blue KN-G, reactive golden yellow K-3RP, reactive black KN-B) in aqueous solution was studied, and adsorption mechanism was focused on from kinetics point of view. The results show that the equilibrium adsorbing capacity (q(e)) of each dye increases with the addition of initial concentration or temperature. On the same condition, the order of q(e) is: reactive brilliant red > reactive golden yellow > reactive black > reactive turquoise blue. The adsorption processes follow a pseudo second-order kinetic rate equation, and the steric structure, size and polarity of dyes are important influence factors to initial adsorption rate. The adsorption activation energy of each dye is low (16.42, 3.56, 5.21, 26.38 kJ x mol(-1) respectively), which indicates that it belongs to physics adsorption.

  15. Communication: Thermodynamic analysis of critical conditions of polymer adsorption

    SciTech Connect

    Cimino, R.; Neimark, A. V.; Rasmussen, C. J.

    2013-11-28

    Polymer adsorption to solid surfaces is a ubiquitous phenomenon, which has attracted long-lasting attention. Dependent on the competition between the polymer-solid adsorption and polymer-solvent solvation interactions, a chain may assume either 3d solvated conformation when adsorption is weak or 2d adsorbed conformation when adsorption is strong. The transition between these conformations occurring upon variation of adsorption strength is quite sharp, and in the limit of “infinite” chain length, can be treated as a critical phenomenon. We suggest a novel thermodynamic definition of the critical conditions of polymer adsorption from the equality of incremental chemical potentials of adsorbed and free chains. We show with the example of freely jointed Lennard-Jones chains tethered to an adsorbing surface that this new definition provides a link between thermodynamic and geometrical features of adsorbed chains and is in line with classical scaling relationships for the fraction of adsorbed monomers, chain radii of gyration, and free energy.

  16. Spatiotemporal Modeling for Assessing Complementarity of Renewable Energy Sources in Distributed Energy Systems

    NASA Astrophysics Data System (ADS)

    Ramirez Camargo, L.; Zink, R.; Dorner, W.

    2015-07-01

    Spatial assessments of the potential of renewable energy sources (RES) have become a valuable information basis for policy and decision-making. These studies, however, do not explicitly consider the variability in time of RES such as solar energy or wind. Until now, the focus is usually given to economic profitability based on yearly balances, which do not allow a comprehensive examination of RES-technologies complementarity. Incrementing temporal resolution of energy output estimation will permit to plan the aggregation of a diverse pool of RES plants i.e., to conceive a system as a virtual power plant (VPP). This paper presents a spatiotemporal analysis methodology to estimate RES potential of municipalities. The methodology relies on a combination of open source geographic information systems (GIS) processing tools and the in-memory array processing environment of Python and NumPy. Beyond the typical identification of suitable locations to build power plants, it is possible to define which of them are the best for a balanced local energy supply. A case study of a municipality, using spatial data with one square meter resolution and one hour temporal resolution, shows strong complementarity of photovoltaic and wind power. Furthermore, it is shown that a detailed deployment strategy of potential suitable locations for RES, calculated with modest computational requirements, can support municipalities to develop VPPs and improve security of supply.

  17. Applications and limits of theoretical adsorption models for predicting the adsorption properties of adsorbents.

    PubMed

    Park, Hyun Ju; Nguyen, Duc Canh; Na, Choon-Ki; Kim, Chung-il

    2015-01-01

    The objective of this study is to evaluate the applicability of adsorption models for predicting the properties of adsorbents. The kinetics of the adsorption of NO3- ions on a PP-g-AA-Am non-woven fabric have been investigated under equilibrium conditions in both batch and fixed bed column processes. The adsorption equilibrium experiments in the batch process were carried out under different adsorbate concentration and adsorbent dosage conditions and the results were analyzed using adsorption isotherm models, energy models, and kinetic models. The results of the analysis indicate that the adsorption occurring at a fixed adsorbate concentration with a varying adsorbent dosage occur more easily compared to those under a fixed adsorbent dosage with a varying adsorbate concentration. In the second part of the study, the experimental data obtained using fixed bed columns were fit to Bed Depth Service Time, Bohart-Adams, Clark, and Wolborska models, to predict the breakthrough curves and determine the column kinetic parameters. The adsorption properties of the NO3- ions on the PP-g-AA-Am non-woven fabric were differently described by different models for both the batch and fixed bed column process. Therefore, it appears reasonable to assume that the adsorption properties were dominated by multiple mechanisms, depending on the experimental conditions.

  18. Adsorption of aqueous copper on peanut hulls

    NASA Astrophysics Data System (ADS)

    Davis, Kanika Octavia

    A method was established for measuring the adsorption of Cu(II) from aqueous solution to unmodified and modified peanut hulls at constant temperature and pH. Modification of the hulls was performed by oxidation with alkaline hydrogen peroxide. During the modification process, the hydrogen peroxide solubilizes the lignin component, making the surface more porous which increases the availability of binding sites, while simultaneously oxidizing the cellulose. The oxidation of alcohol groups creates more binding sites by creating functional groups such as COO-, which increases chelation to metal ions. Fourier transform infrared spectroscopy confirms delignification of the peanut hulls by the disappearance of carboxyl peaks of the modified hulls, which were originally produced from the lignin content. Although, oxidation is not fully confirmed, it is not ruled out because the expected carboxylate peak (1680 cm-1) maybe overshadowed by a broad peak due to OH bending of water adsorbed to the hulls. Hulls adsorbed copper from solutions in the concentration range of 50-1000 ppm of CuCl2. Concentrations of pre- and post-adsorption solutions were determined using inductively coupled plasma optical emission spectroscopy. The adsorption isotherms were fit to known two and three-parameter models, evaluated and the binding mechanism was inferred. Maximum surface coverage was 3.5 +/- 0.6 mg Cu2+ /g hull for unmodified hulls and 11 +/- 1 mg Cu2+/g hull for modified hulls. The adsorption for the hulls is best described by the Langmuir model, suggesting monolayer, homogeneous adsorption. With a free energy of adsorption of 10.5 +/- 0.9 kJ/mol for unmodified hulls and 14.5 +/-0.4 kJ/mol for modified hulls, the process is categorized as chemisorption for both types of hulls. The adsorption for both hulls is also described by the Redlich-Peterson model, giving beta nearer to 1 than 0, which further suggests homogeneous adsorption described by the Langmuir model. After rinsing the hulls

  19. Analysis of Fast Electron Energy Distribution by Measuring Hard X-ray Bremsstrahlung

    NASA Astrophysics Data System (ADS)

    Daykin, Tyler; Sawada, Hiroshi; Sentoku, Yasuhiko; Bass, Anthony; Griffin, Brandon; Pandit, Rishi; Beg, Farhat; Chen, Hui; McLean, Harry; Link, Anthony; Patel, Prav; Ping, Yuan

    2015-11-01

    Characterization of intense, short-pulse laser-produced fast electrons is important for fundamental understanding and applications. We carried out an experiment to characterize the fast electron energy distribution by measuring angular-dependent high-energy bremsstrahlung x-rays. A 100 μm thick metal foil (Al, Cu, and Ag) mounted on a plastic backing was irradiated by the 0.35 ps, 15 J Leopard Laser at the Nevada Terawatt Facility. The bremsstrahlung x-rays and the escaping electrons from the target were recorded using differential filter stack spectrometers at 22° and 45° off laser axis and a magnet-based electron spectrometer along the laser axis. The electron spectrum inferred from two different diagnostics had single slope temperature of ~ 1.5 MeV for the Cu foil. The results were compared to an analytic calculation and a 2-D Particle-in-cell code, PICLS. The analysis of the electron energy distribution and angular distribution will be presented. This work was supported by the UNR Office of the Provost and by DOE/OFES under Contract No. DE-SC0008827. This collaborative work was partially supported under the auspices of the US Department of Energy by Lawrence Livermore National Laboratory under Con.

  20. mHealthMon: toward energy-efficient and distributed mobile health monitoring using parallel offloading.

    PubMed

    Ahnn, Jong Hoon; Potkonjak, Miodrag

    2013-10-01

    Although mobile health monitoring where mobile sensors continuously gather, process, and update sensor readings (e.g. vital signals) from patient's sensors is emerging, little effort has been investigated in an energy-efficient management of sensor information gathering and processing. Mobile health monitoring with the focus of energy consumption may instead be holistically analyzed and systematically designed as a global solution to optimization subproblems. This paper presents an attempt to decompose the very complex mobile health monitoring system whose layer in the system corresponds to decomposed subproblems, and interfaces between them are quantified as functions of the optimization variables in order to orchestrate the subproblems. We propose a distributed and energy-saving mobile health platform, called mHealthMon where mobile users publish/access sensor data via a cloud computing-based distributed P2P overlay network. The key objective is to satisfy the mobile health monitoring application's quality of service requirements by modeling each subsystem: mobile clients with medical sensors, wireless network medium, and distributed cloud services. By simulations based on experimental data, we present the proposed system can achieve up to 10.1 times more energy-efficient and 20.2 times faster compared to a standalone mobile health monitoring application, in various mobile health monitoring scenarios applying a realistic mobility model. PMID:23897403