Sample records for sublimation gibbs energies

  1. Enzyme Catalysis and the Gibbs Energy (United States)

    Ault, Addison


    Gibbs-energy profiles are often introduced during the first semester of organic chemistry, but are less often presented in connection with enzyme-catalyzed reactions. In this article I show how the Gibbs-energy profile corresponds to the characteristic kinetics of a simple enzyme-catalyzed reaction. (Contains 1 figure and 1 note.)

  2. Illustrating Enzyme Inhibition Using Gibbs Energy Profiles (United States)

    Bearne, Stephen L.


    Gibbs energy profiles have great utility as teaching and learning tools because they present students with a visual representation of the energy changes that occur during enzyme catalysis. Unfortunately, most textbooks divorce discussions of traditional kinetic topics, such as enzyme inhibition, from discussions of these same topics in terms of…


    Energy Technology Data Exchange (ETDEWEB)

    Hsieh, Henry H. [Institute of Astronomy and Astrophysics, Academia Sinica, P.O. Box 23-141, Taipei 10617, Taiwan (China); Hainaut, Olivier [European Southern Observatory, Karl-Schwarzschild-Straße 2, D-85748 Garching bei München (Germany); Novaković, Bojan [Department of Astronomy, Faculty of Mathematics, University of Belgrade, Studentski trg 16, 11000 Belgrade (Serbia); Bolin, Bryce [Observatoire de la Côte d’Azur, Boulevard de l’Observatoire, B.P. 4229, F-06304 Nice Cedex 4 (France); Denneau, Larry; Haghighipour, Nader; Kleyna, Jan; Meech, Karen J.; Schunova, Eva; Wainscoat, Richard J. [Institute for Astronomy, University of Hawaii, 2680 Woodlawn Drive, Honolulu, HI 96822 (United States); Fitzsimmons, Alan [Astrophysics Research Centre, Queens University Belfast, Belfast BT7 1NN (United Kingdom); Kokotanekova, Rosita; Snodgrass, Colin [Planetary and Space Sciences, Department of Physical Sciences, The Open University, Milton Keynes MK7 6AA (United Kingdom); Lacerda, Pedro [Max Planck Institute for Solar System Research, Justus-von-Liebig-Weg 3, D-37077 Göttingen (Germany); Micheli, Marco [ESA SSA NEO Coordination Centre, Frascati, RM (Italy); Moskovitz, Nick; Wasserman, Lawrence [Lowell Observatory, 1400 W. Mars Hill Road, Flagstaff, AZ 86001 (United States); Waszczak, Adam, E-mail: [Division of Geological and Planetary Sciences, California Institute of Technology, Pasadena, CA 91125 (United States)


    We present an observational and dynamical study of newly discovered main-belt comet 313P/Gibbs. We find that the object is clearly active both in observations obtained in 2014 and in precovery observations obtained in 2003 by the Sloan Digital Sky Survey, strongly suggesting that its activity is sublimation-driven. This conclusion is supported by a photometric analysis showing an increase in the total brightness of the comet over the 2014 observing period, and dust modeling results showing that the dust emission persists over at least three months during both active periods, where we find start dates for emission no later than 2003 July 24 ± 10 for the 2003 active period and 2014 July 28 ± 10 for the 2014 active period. From serendipitous observations by the Subaru Telescope in 2004 when the object was apparently inactive, we estimate that the nucleus has an absolute R-band magnitude of H{sub R} = 17.1 ± 0.3, corresponding to an effective nucleus radius of r{sub e} ∼ 1.00 ± 0.15 km. The object’s faintness at that time means we cannot rule out the presence of activity, and so this computed radius should be considered an upper limit. We find that 313P’s orbit is intrinsically chaotic, having a Lyapunov time of T{sub l} = 12,000 yr and being located near two three-body mean-motion resonances with Jupiter and Saturn, 11J-1S-5A and 10J+12S-7A, yet appears stable over >50 Myr in an apparent example of stable chaos. We furthermore find that 313P is the second main-belt comet, after P/2012 T1 (PANSTARRS), to belong to the ∼155 Myr old Lixiaohua asteroid family.

  4. Consistent estimation of Gibbs energy using component contributions.

    Directory of Open Access Journals (Sweden)

    Elad Noor

    Full Text Available Standard Gibbs energies of reactions are increasingly being used in metabolic modeling for applying thermodynamic constraints on reaction rates, metabolite concentrations and kinetic parameters. The increasing scope and diversity of metabolic models has led scientists to look for genome-scale solutions that can estimate the standard Gibbs energy of all the reactions in metabolism. Group contribution methods greatly increase coverage, albeit at the price of decreased precision. We present here a way to combine the estimations of group contribution with the more accurate reactant contributions by decomposing each reaction into two parts and applying one of the methods on each of them. This method gives priority to the reactant contributions over group contributions while guaranteeing that all estimations will be consistent, i.e. will not violate the first law of thermodynamics. We show that there is a significant increase in the accuracy of our estimations compared to standard group contribution. Specifically, our cross-validation results show an 80% reduction in the median absolute residual for reactions that can be derived by reactant contributions only. We provide the full framework and source code for deriving estimates of standard reaction Gibbs energy, as well as confidence intervals, and believe this will facilitate the wide use of thermodynamic data for a better understanding of metabolism.

  5. Molar Gibbs energy formation of RbUO 3(s) (United States)

    Jayanthi, K.; Iyer, V. S.; Rama Rao, G. A.; Venugopal, V.


    The molar Gibbs energy of formation of RbUO3(s) was determined by measuring the oxygen pressure over the phase field, RbUO3(s) + Rb2U2O7(s) + Rb2UO4(s), using a solid oxide electrolyte galvanic cell in the temperature range 920 to 1100 K and the partial pressure of rubidium using the Knudsen effusion mass loss method in the temperature range 1305 to 1459 K. The oxygen potential and the rubidium potential existing over the phase field can be respectively given by Δμ(O2)±0.4(kJ mol-1) = -531.6+0.2026T(K) and Δμ(Rb)±0.6(kJ mol-1) = -152.7+0.018T(K).

  6. Illustrating the Effect of pH on Enzyme Activity Using Gibbs Energy Profiles (United States)

    Bearne, Stephen L.


    Gibbs energy profiles provide students with a visual representation of the energy changes that occur during enzyme catalysis, making such profiles useful as teaching and learning tools. Traditional kinetic topics, such as the effect of pH on enzyme activity, are often not discussed in terms of Gibbs energy profiles. Herein, the symbolism of Gibbs…

  7. A Simple Method to Calculate the Temperature Dependence of the Gibbs Energy and Chemical Equilibrium Constants (United States)

    Vargas, Francisco M.


    The temperature dependence of the Gibbs energy and important quantities such as Henry's law constants, activity coefficients, and chemical equilibrium constants is usually calculated by using the Gibbs-Helmholtz equation. Although, this is a well-known approach and traditionally covered as part of any physical chemistry course, the required…

  8. Standard Gibbs energy of metabolic reactions: II. Glucose-6-phosphatase reaction and ATP hydrolysis. (United States)

    Meurer, Florian; Do, Hoang Tam; Sadowski, Gabriele; Held, Christoph


    ATP (adenosine triphosphate) is a key reaction for metabolism. Tools from systems biology require standard reaction data in order to predict metabolic pathways accurately. However, literature values for standard Gibbs energy of ATP hydrolysis are highly uncertain and differ strongly from each other. Further, such data usually neglect the activity coefficients of reacting agents, and published data like this is apparent (condition-dependent) data instead of activity-based standard data. In this work a consistent value for the standard Gibbs energy of ATP hydrolysis was determined. The activity coefficients of reacting agents were modeled with electrolyte Perturbed-Chain Statistical Associating Fluid Theory (ePC-SAFT). The Gibbs energy of ATP hydrolysis was calculated by combining the standard Gibbs energies of hexokinase reaction and of glucose-6-phosphate hydrolysis. While the standard Gibbs energy of hexokinase reaction was taken from previous work, standard Gibbs energy of glucose-6-phosphate hydrolysis reaction was determined in this work. For this purpose, reaction equilibrium molalities of reacting agents were measured at pH7 and pH8 at 298.15K at varying initial reacting agent molalities. The corresponding activity coefficients at experimental equilibrium molalities were predicted with ePC-SAFT yielding the Gibbs energy of glucose-6-phosphate hydrolysis of -13.72±0.75kJ·mol(-1). Combined with the value for hexokinase, the standard Gibbs energy of ATP hydrolysis was finally found to be -31.55±1.27kJ·mol(-1). For both, ATP hydrolysis and glucose-6-phosphate hydrolysis, a good agreement with own and literature values were obtained when influences of pH, temperature, and activity coefficients were explicitly taken into account in order to calculate standard Gibbs energy at pH7, 298.15K and standard state. Copyright © 2017 Elsevier B.V. All rights reserved.

  9. A Reaction Method for Estimating Gibbs Energy and Enthalpy of Formation of Complex Minerals (United States)

    Li, Ruibing; Zhang, Tingan; Liu, Yan; Kuang, Shibo


    New and updated thermodynamic data for simple binary compounds are readily available from both experimental measurements and theoretical calculations. Based on these available data, an approach is proposed to predict Gibbs energies and enthalpies of formation for complex minerals of metallurgical, chemical, and other industrial importance. The approach assumes that complex minerals are formed from binary composite oxides, which in turn, are formed from individual pure oxides. The validity of this approach is examined by comparing the calculated values of Gibbs energies and enthalpies against the experimentally measured ones reported in literature. The results show that for typical complex minerals with available experimental data, the calculated results exhibit an average residual of 0.51 pct for Gibbs energies and 0.52 pct for enthalpies, compared to the experimental results. This new approach thus correlates well with experimental approaches and can be applied to most of the complex minerals.


    NARCIS (Netherlands)


    Gibbs free energies of formation for gas, subcooled liquid, and aqueous solution phases were estimated for all 209 polychlorinated biphenyl (PCB) congeners at 298.15 K and 100 000 Pa. A literature search was conducted to locate experimental data or predicted data for PCBs. Where other data were not

  11. Estimates of Gibbs free energies of formation of chlorinated aliphatic compounds

    NARCIS (Netherlands)

    Dolfing, Jan; Janssen, Dick B.


    The Gibbs free energy of formation of chlorinated aliphatic compounds was estimated with Mavrovouniotis' group contribution method. The group contribution of chlorine was estimated from the scarce data available on chlorinated aliphatics in the literature, and found to vary somewhat according to the

  12. Gibbs free energy as a measure of complexity correlates with time within C. elegans embryonic development. (United States)

    McGuire, Samuel H; Rietman, Edward A; Siegelmann, Hava; Tuszynski, Jack A


    We investigate free energy behavior in the nematode Caenorhabditis elegans during embryonic development. Our approach utilizes publicly available gene expression data, which gives us a picture of developmental changes in protein concentration and, resultantly, chemical potential and free energy. Our results indicate a clear global relationship between Gibbs free energy and time spent in development and provide thermodynamic indicators of the large-scale biological events of cell division and differentiation.

  13. Surface energy balance, melt and sublimation at Neumayer Station, East Antarctica

    NARCIS (Netherlands)

    van den Broeke, M.R.; König-Langlo, G.; Picard, G.; Kuipers Munneke, P.; Lenaerts, J.T.M.


    A surface energy balance model is forced by 13 years of high-quality hourly observations from the Antarctic coastal station Neumayer. The model accurately reproduces observed surface temperatures. Surface sublimation is significant in summer, when absorbed solar radiation heats the surface.

  14. Gibbs free energy and integrability of continuum models for granular media at equilibrium (United States)

    Varsakelis, C.


    In this letter, we address the problem of the integrability of a continuum model for granular media at equilibrium. By the means of a formal integrability analysis, we show that the equilibrium limit of such models can be cast into a gradient equation with zero right-hand side. In turn, this implies that the model of interest is inherently Frobenius integrable, in the absence of additional compatibility conditions. Moreover, the quantity inside the gradient is identified with the granular material's Gibbs free energy. Consequently, the integrability for the model at hand is equivalent to setting the Gibbs free energy of the granular material constant throughout the domain. In other words, integrability is equivalent to the definition of equilibrium employed in statistical physics.

  15. Brick by Brick Computation of the Gibbs Free Energy of Reaction in Solution Using Quantum Chemistry and COSMO-RS

    CERN Document Server

    Hellweg, Arnim


    The computational modelling of reactions is simple in theory but can be quite tricky in practice. This article aims at the purpose of providing an assistance to a proper way of describing reactions theoretically and provides rough guidelines to the computational methods involved. Reactions in liquid phase chemical equilibrium can be described theoretically in terms of the Gibbs free energy of reaction. This property can be divided into a sum of three disjunct terms, namely the gas phase reaction energy, the finite temperature contribution to the Gibbs free energy, and the Gibbs free energy of solvation. The three contributions to the Gibbs free energy of reaction can be computed separately, using different theoretico--chemical calculation methods. While some of these terms can be obtained reliably by computationally cheap methods, for others a high level of theory is required to obtain predictions of quantitative quality. In order to propose workflows which can strike the balance between accuracy and computat...

  16. Using Graphs of Gibbs Energy versus Temperature in General Chemistry Discussions of Phase Changes and Colligative Properties (United States)

    Hanson, Robert M.; Riley, Patrick; Schwinefus, Jeff; Fischer, Paul J.


    The use of qualitative graphs of Gibbs energy versus temperature is described in the context of chemical demonstrations involving phase changes and colligative properties at the general chemistry level. (Contains 5 figures and 1 note.)

  17. A scalable algorithm to explore the Gibbs energy landscape of genome-scale metabolic networks.

    Directory of Open Access Journals (Sweden)

    Daniele De Martino

    Full Text Available The integration of various types of genomic data into predictive models of biological networks is one of the main challenges currently faced by computational biology. Constraint-based models in particular play a key role in the attempt to obtain a quantitative understanding of cellular metabolism at genome scale. In essence, their goal is to frame the metabolic capabilities of an organism based on minimal assumptions that describe the steady states of the underlying reaction network via suitable stoichiometric constraints, specifically mass balance and energy balance (i.e. thermodynamic feasibility. The implementation of these requirements to generate viable configurations of reaction fluxes and/or to test given flux profiles for thermodynamic feasibility can however prove to be computationally intensive. We propose here a fast and scalable stoichiometry-based method to explore the Gibbs energy landscape of a biochemical network at steady state. The method is applied to the problem of reconstructing the Gibbs energy landscape underlying metabolic activity in the human red blood cell, and to that of identifying and removing thermodynamically infeasible reaction cycles in the Escherichia coli metabolic network (iAF1260. In the former case, we produce consistent predictions for chemical potentials (or log-concentrations of intracellular metabolites; in the latter, we identify a restricted set of loops (23 in total in the periplasmic and cytoplasmic core as the origin of thermodynamic infeasibility in a large sample (10(6 of flux configurations generated randomly and compatibly with the prior information available on reaction reversibility.

  18. Gibbs Free Energy of Formation for Selected Platinum Group Minerals (PGM

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    Spiros Olivotos


    Full Text Available Thermodynamic data for platinum group (Os, Ir, Ru, Rh, Pd and Pt minerals are very limited. The present study is focused on the calculation of the Gibbs free energy of formation (ΔfG° for selected PGM occurring in layered intrusions and ophiolite complexes worldwide, applying available experimental data on their constituent elements at their standard state (ΔG = G(species − ΔG(elements, using the computer program HSC Chemistry software 6.0. The evaluation of the accuracy of the calculation method was made by the calculation of (ΔGf of rhodium sulfide phases. The calculated values were found to be ingood agreement with those measured in the binary system (Rh + S as a function of temperature by previous authors (Jacob and Gupta (2014. The calculated Gibbs free energy (ΔfG° followed the order RuS2 < (Ir,OsS2 < (Pt, PdS < (Pd, PtTe2, increasing from compatible to incompatible noble metals and from sulfides to tellurides.

  19. Reduction efficiency prediction of CENIBRA's recovery boiler by direct minimization of gibbs free energy

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    W. L. Silva


    Full Text Available The reduction efficiency is an important variable during the black liquor burning process in the Kraft recovery boiler. This variable value is obtained by slow experimental routines and the delay of this measure disturbs the pulp and paper industry customary control. This paper describes an optimization approach for the reduction efficiency determination in the furnace bottom of the recovery boiler based on the minimization of the Gibbs free energy. The industrial data used in this study were directly obtained from CENIBRA's data acquisition system. The resulting approach is able to predict the steady state behavior of the chemical composition of the furnace recovery boiler, - especially the reduction efficiency when different operational conditions are used. This result confirms the potential of this approach in the analysis of the daily operation of the recovery boiler.

  20. Experimental Determination of Third Derivative of the Gibbs Free Energy, G II

    DEFF Research Database (Denmark)

    Koga, Yoshikata; Westh, Peter; Inaba, Akira


    We have been evaluating third derivative quantities of the Gibbs free energy, G, by graphically differentiating the second derivatives that are accessible experimentally, and demonstrated their power in elucidating the mixing schemes in aqueous solutions. Here we determine directly one of the third...... derivatives of G, the partial molar entropy-volume cross fluctuation density of 2-butoxyethanol (BE) in the BE–H2O system, SV δ BE . The difference of the heats of compression were directly determined using two identical cells and applying the same pressure change to both cells concurrently. Both cells...... of 0.01%, the method provides the required results to within 0.1% without the thermal expansivity data. This success opens a possibility of evaluating the fourth derivative graphically, which is expected to provide much more detailed information about the molecular processes in aqueous solutions....

  1. The Gibbs free energy of homogeneous nucleation: From atomistic nuclei to the planar limit. (United States)

    Cheng, Bingqing; Tribello, Gareth A; Ceriotti, Michele


    In this paper we discuss how the information contained in atomistic simulations of homogeneous nucleation should be used when fitting the parameters in macroscopic nucleation models. We show how the number of solid and liquid atoms in such simulations can be determined unambiguously by using a Gibbs dividing surface and how the free energy as a function of the number of solid atoms in the nucleus can thus be extracted. We then show that the parameters (the chemical potential, the interfacial free energy, and a Tolman correction) of a model based on classical nucleation theory can be fitted using the information contained in these free-energy profiles but that the parameters in such models are highly correlated. This correlation is unfortunate as it ensures that small errors in the computed free energy surface can give rise to large errors in the extrapolated properties of the fitted model. To resolve this problem we thus propose a method for fitting macroscopic nucleation models that uses simulations of planar interfaces and simulations of three-dimensional nuclei in tandem. We show that when the chemical potentials and the interface energy are pinned to their planar-interface values, more precise estimates for the Tolman length are obtained. Extrapolating the free energy profile obtained from small simulation boxes to larger nuclei is thus more reliable.

  2. A simple approach to the solvent reorganisation Gibbs free energy in electron transfer reactions of redox metalloproteins

    DEFF Research Database (Denmark)

    Ulstrup, Jens


    We discuss a simple model for the environmental reorganisation Gibbs free energy, E-r, in electron transfer between a metalloprotein and a small reaction partner. The protein is represented as a dielectric globule with low dielectric constant, the metal centres as conducting spheres, all embedded...

  3. The Role of Shearing Energy and Interfacial Gibbs Free Energy in the Emulsification Mechanism of Waxy Crude Oil

    Directory of Open Access Journals (Sweden)

    Zhihua Wang


    Full Text Available Crude oil is generally produced with water, and the water cut produced by oil wells is increasingly common over their lifetime, so it is inevitable to create emulsions during oil production. However, the formation of emulsions presents a costly problem in surface process particularly, both in terms of transportation energy consumption and separation efficiency. To deal with the production and operational problems which are related to crude oil emulsions, especially to ensure the separation and transportation of crude oil-water systems, it is necessary to better understand the emulsification mechanism of crude oil under different conditions from the aspects of bulk and interfacial properties. The concept of shearing energy was introduced in this study to reveal the driving force for emulsification. The relationship between shearing stress in the flow field and interfacial tension (IFT was established, and the correlation between shearing energy and interfacial Gibbs free energy was developed. The potential of the developed correlation model was validated using the experimental and field data on emulsification behavior. It was also shown how droplet deformation could be predicted from a random deformation degree and orientation angle. The results indicated that shearing energy as the energy produced by shearing stress working in the flow field is the driving force activating the emulsification behavior. The deformation degree and orientation angle of dispersed phase droplet are associated with the interfacial properties, rheological properties and the experienced turbulence degree. The correlation between shearing stress and IFT can be quantified if droplet deformation degree vs. droplet orientation angle data is available. When the water cut is close to the inversion point of waxy crude oil emulsion, the interfacial Gibbs free energy change decreased and the shearing energy increased. This feature is also presented in the special regions where

  4. A Gibbs Energy Minimization Approach for Modeling of Chemical Reactions in a Basic Oxygen Furnace (United States)

    Kruskopf, Ari; Visuri, Ville-Valtteri


    In modern steelmaking, the decarburization of hot metal is converted into steel primarily in converter processes, such as the basic oxygen furnace. The objective of this work was to develop a new mathematical model for top blown steel converter, which accounts for the complex reaction equilibria in the impact zone, also known as the hot spot, as well as the associated mass and heat transport. An in-house computer code of the model has been developed in Matlab. The main assumption of the model is that all reactions take place in a specified reaction zone. The mass transfer between the reaction volume, bulk slag, and metal determine the reaction rates for the species. The thermodynamic equilibrium is calculated using the partitioning of Gibbs energy (PGE) method. The activity model for the liquid metal is the unified interaction parameter model and for the liquid slag the modified quasichemical model (MQM). The MQM was validated by calculating iso-activity lines for the liquid slag components. The PGE method together with the MQM was validated by calculating liquidus lines for solid components. The results were compared with measurements from literature. The full chemical reaction model was validated by comparing the metal and slag compositions to measurements from industrial scale converter. The predictions were found to be in good agreement with the measured values. Furthermore, the accuracy of the model was found to compare favorably with the models proposed in the literature. The real-time capability of the proposed model was confirmed in test calculations.

  5. IGERS: inferring Gibbs energy changes of biochemical reactions from reaction similarities. (United States)

    Rother, Kristian; Hoffmann, Sabrina; Bulik, Sascha; Hoppe, Andreas; Gasteiger, Johann; Holzhütter, Herrmann-Georg


    Mathematical analysis and modeling of biochemical reaction networks requires knowledge of the permitted directionality of reactions and membrane transport processes. This information can be gathered from the standard Gibbs energy changes (DeltaG(0)) of reactions and the concentration ranges of their reactants. Currently, experimental DeltaG(0) values are not available for the vast majority of cellular biochemical processes. We propose what we believe to be a novel computational method to infer the unknown DeltaG(0) value of a reaction from the known DeltaG(0) value of the chemically most similar reaction. The chemical similarity of two arbitrary reactions is measured by the relative number (T) of co-occurring changes in the chemical attributes of their reactants. Testing our method across a validated reference set of 173 biochemical reactions with experimentally determined DeltaG(0) values, we found that a minimum reaction similarity of T = 0.6 is required to infer DeltaG(0) values with an error of reactions of the BioPath database. We believe our approach permits us to minimize the number of DeltaG(0) measurements required for a full coverage of a given reaction network with reliable DeltaG(0) values. Copyright (c) 2010 Biophysical Society. Published by Elsevier Inc. All rights reserved.

  6. A Gibbs Energy Minimization Approach for Modeling of Chemical Reactions in a Basic Oxygen Furnace (United States)

    Kruskopf, Ari; Visuri, Ville-Valtteri


    In modern steelmaking, the decarburization of hot metal is converted into steel primarily in converter processes, such as the basic oxygen furnace. The objective of this work was to develop a new mathematical model for top blown steel converter, which accounts for the complex reaction equilibria in the impact zone, also known as the hot spot, as well as the associated mass and heat transport. An in-house computer code of the model has been developed in Matlab. The main assumption of the model is that all reactions take place in a specified reaction zone. The mass transfer between the reaction volume, bulk slag, and metal determine the reaction rates for the species. The thermodynamic equilibrium is calculated using the partitioning of Gibbs energy (PGE) method. The activity model for the liquid metal is the unified interaction parameter model and for the liquid slag the modified quasichemical model (MQM). The MQM was validated by calculating iso-activity lines for the liquid slag components. The PGE method together with the MQM was validated by calculating liquidus lines for solid components. The results were compared with measurements from literature. The full chemical reaction model was validated by comparing the metal and slag compositions to measurements from industrial scale converter. The predictions were found to be in good agreement with the measured values. Furthermore, the accuracy of the model was found to compare favorably with the models proposed in the literature. The real-time capability of the proposed model was confirmed in test calculations.

  7. Direct determination of the Gibbs' energy of formation of peroxynitrous acid. (United States)

    Merényi, Gábor; Lind, Johan; Czapski, Gideon; Goldstein, Sara


    The kinetics of decomposition of peroxynitrous acid (ONOOH) was investigated in the presence of 0.1-0.75 M HClO(4) and at a constant ionic strength. The decay rate of ONOOH decreased in the presence of H(2)O(2), approaching a limiting value well below 75 mM H(2)O(2). It also decreased in the presence of relatively low [HNO(2)] but did not approach a lower limiting value, since ONOOH reacts directly with HNO(2). The latter reaction corresponds to a HNO(2)- and H(+)-catalyzed isomerization of ONOOH to nitrate, and its third-order rate constant was determined to be 520 +/- 30 M(-)(2) s(-)(1). The mechanism of formation of O(2)NOOH from ONOOH in the presence of H(2)O(2) was also scrutinized. The results demonstrated that in the presence of 0.1-0.75 M HClO(4) and 75 mM H(2)O(2) the formation of O(2)NOOH is insignificant. The most important finding in this work is the reversibility of the reaction ONOOH + H(2)O right harpoon over left harpoon HNO(2) + H(2)O(2), and its equilibrium constant was determined to be (7.5 +/- 0.4) x 10(-)(4) M. Using this value, the Gibbs' energy of formation of ONOOH was calculated to be 7.1 +/- 0.2 kcal/mol. This figure is in good agreement with the value determined previously from kinetic data using parameters for radicals formed during homolysis of peroxynitrite.

  8. Glyoxal and Methylglyoxal Setschenow Salting Constants in Sulfate, Nitrate, and Chloride Solutions: Measurements and Gibbs Energies. (United States)

    Waxman, Eleanor M; Elm, Jonas; Kurtén, Theo; Mikkelsen, Kurt V; Ziemann, Paul J; Volkamer, Rainer


    Knowledge about Setschenow salting constants, KS, the exponential dependence of Henry's Law coefficients on salt concentration, is of particular importance to predict secondary organic aerosol (SOA) formation from soluble species in atmospheric waters with high salt concentrations, such as aerosols. We have measured KS of glyoxal and methylglyoxal for the atmospherically relevant salts (NH4)2SO4, NH4NO3, NaNO3, and NaCl and find that glyoxal consistently "salts-in" (KS of -0.16, -0.06, -0.065, -0.1 molality(-1), respectively) while methylglyoxal "salts-out" (KS of +0.16, +0.075, +0.02, +0.06 molality(-1)). We show that KS values for different salts are additive and present an equation for use in atmospheric models. Additionally, we have performed a series of quantum chemical calculations to determine the interactions between glyoxal/methylglyoxal monohydrate with Cl(-), NO3(-), SO4(2-), Na(+), and NH4(+) and find Gibbs free energies of water displacement of -10.9, -22.0, -22.9, 2.09, and 1.2 kJ/mol for glyoxal monohydrate and -3.1, -10.3, -7.91, 6.11, and 1.6 kJ/mol for methylglyoxal monohydrate with uncertainties of 8 kJ/mol. The quantum chemical calculations support that SO4(2-), NO3(-), and Cl(-) modify partitioning, while cations do not. Other factors such as ion charge or partitioning volume effects likely need to be considered to fully explain salting effects.

  9. Gibbs Sampler-Based λ-Dynamics and Rao-Blackwell Estimator for Alchemical Free Energy Calculation. (United States)

    Ding, Xinqiang; Vilseck, Jonah Z; Hayes, Ryan L; Brooks, Charles L


    λ-dynamics is a generalized ensemble method for alchemical free energy calculations. In traditional λ-dynamics, the alchemical switch variable λ is treated as a continuous variable ranging from 0 to 1 and an empirical estimator is utilized to approximate the free energy. In the present article, we describe an alternative formulation of λ-dynamics that utilizes the Gibbs sampler framework, which we call Gibbs sampler-based λ-dynamics (GSLD). GSLD, like traditional λ-dynamics, can be readily extended to calculate free energy differences between multiple ligands in one simulation. We also introduce a new free energy estimator, the Rao-Blackwell estimator (RBE), for use in conjunction with GSLD. Compared with the current empirical estimator, the advantage of RBE is that RBE is an unbiased estimator and its variance is usually smaller than the current empirical estimator. We also show that the multistate Bennett acceptance ratio equation or the unbinned weighted histogram analysis method equation can be derived using the RBE. We illustrate the use and performance of this new free energy computational framework by application to a simple harmonic system as well as relevant calculations of small molecule relative free energies of solvation and binding to a protein receptor. Our findings demonstrate consistent and improved performance compared with conventional alchemical free energy methods.

  10. Gibbs free-energy difference between the glass and crystalline phases of a Ni-Zr alloy (United States)

    Ohsaka, K.; Trinh, E. H.; Holzer, J. C.; Johnson, W. L.


    The heats of eutectic melting and devitrification, and the specific heats of the crystalline, glass, and liquid phases have been measured for a Ni24Zr76 alloy. The data are used to calculate the Gibbs free-energy difference, Delta G(AC), between the real glass and the crystal on an assumption that the liquid-glass transition is second order. The result shows that Delta G(AC) continuously increases as the temperature decreases in contrast to the ideal glass case where Delta G(AC) is assumed to be independent of temperature.

  11. Gibbs free energy difference between the undercooled liquid and the beta phase of a Ti-Cr alloy (United States)

    Ohsaka, K.; Trinh, E. H.; Holzer, J. C.; Johnson, W. L.


    The heat of fusion and the specific heats of the solid and liquid have been experimentally determined for a Ti60Cr40 alloy. The data are used to evaluate the Gibbs free energy difference, delta-G, between the liquid and the beta phase as a function of temperature to verify a reported spontaneous vitrification (SV) of the beta phase in Ti-Cr alloys. The results show that SV of an undistorted beta phase in the Ti60Cr40 alloy at 873 K is not feasible because delta-G is positive at the temperature. However, delta-G may become negative with additional excess free energy to the beta phase in the form of defects.

  12. Standard Gibbs free energies of reactions of ozone with free radicals in aqueous solution: quantum-chemical calculations. (United States)

    Naumov, Sergej; von Sonntag, Clemens


    Free radicals are common intermediates in the chemistry of ozone in aqueous solution. Their reactions with ozone have been probed by calculating the standard Gibbs free energies of such reactions using density functional theory (Jaguar 7.6 program). O(2) reacts fast and irreversibly only with simple carbon-centered radicals. In contrast, ozone also reacts irreversibly with conjugated carbon-centered radicals such as bisallylic (hydroxycylohexadienyl) radicals, with conjugated carbon/oxygen-centered radicals such as phenoxyl radicals, and even with nitrogen- oxygen-, sulfur-, and halogen-centered radicals. In these reactions, further ozone-reactive radicals are generated. Chain reactions may destroy ozone without giving rise to products other than O(2). This may be of importance when ozonation is used in pollution control, and reactions of free radicals with ozone have to be taken into account in modeling such processes.

  13. Mean and variance of the Gibbs free energy of oligonucleotides in the nearest neighbor model under varying conditions. (United States)

    Rahmann, Sven; Gräfe, Christine


    In order to assess the stability of DNA-DNA hybridizations-for example during PCR primer design or oligonucleotide selection for microarrays-one needs to predict the change in Gibbs free energy DeltaG during hybridization. The nearest neighbor model provides a good compromise between accuracy and computational simplicity for this task. To determine optimal combinations of reaction parameters (temperature, salt concentration, oligonucleotide length and GC-content), one would like to understand how DeltaG depends on all of these parameters simultaneously. We derive analytic results about the distribution of nearest neighbor DeltaG values for a Bernoulli random sequence model (specified by oligonucleotide length and average GC-content) under given experimental conditions. We find that the distribution of DeltaG values is approximately Gaussian and provide exact formulas for expectation and variance.

  14. The Sublime and Education (United States)

    Carson, Jamin


    The sublime is a theory of aesthetics that reached its highest popularity in British literature during the Romantic period (c. 1785-1832). This article (1) explicates philosophers' different meanings of the sublime; (2) show how the sublime is relevant to education; and (3) show how the sublime "works" in literature by analyzing William Blake's…

  15. A sublimation heat engine. (United States)

    Wells, Gary G; Ledesma-Aguilar, Rodrigo; McHale, Glen; Sefiane, Khellil


    Heat engines are based on the physical realization of a thermodynamic cycle, most famously the liquid-vapour Rankine cycle used for steam engines. Here we present a sublimation heat engine, which can convert temperature differences into mechanical work via the Leidenfrost effect. Through controlled experiments, quantified by a hydrodynamic model, we show that levitating dry-ice blocks rotate on hot turbine-like surfaces at a rate controlled by the turbine geometry, temperature difference and solid material properties. The rotational motion of the dry-ice loads is converted into electric power by coupling to a magnetic coil system. We extend our concept to liquid loads, generalizing the realization of the new engine to both sublimation and the instantaneous vapourization of liquids. Our results support the feasibility of low-friction in situ energy harvesting from both liquids and ices. Our concept is potentially relevant in challenging situations such as deep drilling, outer space exploration or micro-mechanical manipulation.

  16. Quantum energy teleportation across a three-spin Ising chain in a Gibbs state (United States)

    Trevison, Jose; Hotta, Masahiro


    In general, it is important to identify what is the informational resource for quantum tasks. Quantum energy teleportation (QET) is a quantum task, which attains energy transfer in an operational sense by local operations and classical communication, and is expected to play a role in future development of nano-scale smart grids. We consider QET protocols in a three-element Ising spin system with non-periodic boundary conditions coupled to a thermal bath. The open chain is the minimal model of QET between two edge spins that allows the measurement and operation steps of the QET protocol to be optimized without restriction. It is possible to analyze how two-body correlations of the system, such as mutual information, entanglement and quantum discord, can be resources of this QET at each temperature. In particular, we stress that quantum discord is not the QET resource in some cases, even if arbitrary measurements and operations are available.

  17. The determination of Standard Gibbs Energies of Ion Transfer across liquid/liquid interfaces with the help of Three-Phase Electrodes


    Gulaboski, Rubin


    The transfer of ion across two conjoined liquids is a fundamental phenomenon that often takes place in the living systems. The transfer of many drugs and medicaments, as well as the transfer of many hydrophilic ions requires energy or specific pathways in order to occur. We developed a simple electrochemical method named as three-phase electrode in order to determine the Gibbs energies of transfer of many cations and anions of physiological importance. In this thesis, the phenomena of ion tra...

  18. Standard molar Gibbs free energy and enthalpy of solvation of low polar solutes in formamide derivatives at 298 K

    Energy Technology Data Exchange (ETDEWEB)

    Sedov, I.A., E-mail:; Magsumov, T.I.; Stolov, M.A.; Solomonov, B.N.


    Highlights: • Standard molar enthalpies of solution of low polar solutes in NMF were measured. • Limiting activity coefficients in NMF were measured. • The solvophobic effects are present but weaker in NMF than in formamide. • We can tune the solvophobic effects by mixing NMF or formamide with other solvents. - Abstract: Novel experimental values of the limiting activity coefficients and standard molar enthalpies of solution in N-methylformamide at 298.15 K are reported and used to calculate the thermodynamic functions of solvation. We compare the plots of the standard molar Gibbs free energy against the standard molar enthalpy of solvation of low polar molecules in N-methylformamide, N,N-dimethylformamide, and formamide. The solvophobic effect is responsible for the deviations of the data points from the straight line corresponding to a correlation between thermodynamic functions of solvation in aprotic solvents. It is shown that the solvophobic effects are strong in formamide solutions, significantly weaker in N-methylformamide, and very weak in N,N-dimethylformamide, which coincides with the average number of intermolecular hydrogen bonds per unit volume of these solvents. Behavior of solutions in binary solvents composed of N-methylformamide or formamide mixed with water and ethylene glycol and a possibility to tune the solvophobic effect by changing the solvent composition are also considered.


    Directory of Open Access Journals (Sweden)



    Full Text Available It is required that the pH of the sump solution should be above 7.0 to retain iodine in a liquid phase and be within the material compatibility constraints under LOCA condition of PWR. The pH of the sump solution can be determined by conventional chemical equilibrium constants or by the minimization of Gibbs free energy. The latter method developed as a computer code called SOLGASMIX-PV is more convenient than the former since various chemical components can be easily treated under LOCA conditions. In this study, SOLGASMIX-PV code was modified to accommodate the acidic and basic materials produced by radiolysis reactions and to calculate the pH of the sump solution. When the computed pH was compared with measured by the ORNL experiment to verify the reliability of the modified code, the error between two values was within 0.3 pH. Finally, two cases of calculation were performed for the SKN 3&4 and UCN 1&2. As results, pH of the sump solution for the SKN 3&4 was between 7.02 and 7.45, and for the UCN 1&2 plant between 8.07 and 9.41. Furthermore, it was found that the radiolysis reactions have insignificant effects on pH because the relative concentrations of HCl, HNO3, and Cs are very low.

  20. Gibbs free energy of reactions involving SiC, Si3N4, H2, and H2O as a function of temperature and pressure (United States)

    Isham, M. A.


    Silicon carbide and silicon nitride are considered for application as structural materials and coating in advanced propulsion systems including nuclear thermal. Three-dimensional Gibbs free energy were constructed for reactions involving these materials in H2 and H2/H2O. Free energy plots are functions of temperature and pressure. Calculations used the definition of Gibbs free energy where the spontaneity of reactions is calculated as a function of temperature and pressure. Silicon carbide decomposes to Si and CH4 in pure H2 and forms a SiO2 scale in a wet atmosphere. Silicon nitride remains stable under all conditions. There was no apparent difference in reaction thermodynamics between ideal and Van der Waals treatment of gaseous species.

  1. The Gibbs free energy of formation of halogenated benzenes, benzoates and phenols and their potential role as electron acceptors in anaerobic environments. (United States)

    Dolfing, Jan; Novak, Igor


    The sequence of redox reactions in the natural environment generally follows the electron affinity of the electron acceptors present and can be rationalized by the redox potentials of the appropriate half-reactions. Answering the question how halogenated aromatics fit into this sequence requires information on their Gibbs free energy of formation values. In 1992 Gibbs free energy data for various classes of halogenated aromatic compounds were systematically explored for the first time based on Benson's group contribution method. Since then more accurate quantum chemical calculation methods have become available. Here we use these methods to estimate enthalpy and Gibbs free energy of formation values of all chlorinated and brominated phenols. These data and similar state-of-the-art datasets for halogenated benzenes and benzoates were then used to calculate two-electron redox potentials of halogenated aromatics for standard conditions and for pH 7. The results underline the need to take speciation into consideration when evaluating redox potentials at pH 7 and highlight the fact that halogenated aromatics are excellent electron acceptors in aqueous environments.

  2. Gibbs Free Energy of Hydrolytic Water Molecule in Acyl-Enzyme Intermediates of a Serine Protease: A Potential Application for Computer-Aided Discovery of Mechanism-Based Reversible Covalent Inhibitors. (United States)

    Masuda, Yosuke; Yamaotsu, Noriyuki; Hirono, Shuichi


    In order to predict the potencies of mechanism-based reversible covalent inhibitors, the relationships between calculated Gibbs free energy of hydrolytic water molecule in acyl-trypsin intermediates and experimentally measured catalytic rate constants (kcat) were investigated. After obtaining representative solution structures by molecular dynamics (MD) simulations, hydration thermodynamics analyses using WaterMap™ were conducted. Consequently, we found for the first time that when Gibbs free energy of the hydrolytic water molecule was lower, logarithms of kcat were also lower. The hydrolytic water molecule with favorable Gibbs free energy may hydrolyze acylated serine slowly. Gibbs free energy of hydrolytic water molecule might be a useful descriptor for computer-aided discovery of mechanism-based reversible covalent inhibitors of hydrolytic enzymes.

  3. Determination of Gibbs Energy of Mixing of Tungsten-Boron Binary System by Electromotive Force Measurement Using Solid Electrolyte (United States)

    Yamamoto, Hiroaki; Morishita, Masao; Miyake, Yuta; Hiramatsu, Shusuke


    The thermodynamic properties for the tungsten-boron binary system were determined by measuring electromotive forces of galvanic cells using an Y2O3-stabilized ZrO2 solid oxide electrolyte. Assuming that W2B and αWB are the stoichiometric compounds, and W2B5- x and W1- x B3 are the nonstoichiometric compounds having solubility widths of 0.670 ≤ X B ≤ 0.690 and 0.805 ≤ X B ≤ 0.822, respectively, they were treated as the intermediate phases of W0.667B0.333, αW0.50B0.50, W0.330B0.670 W0.310B0.690, and W0.195B0.805 W0.178B0.822. The Gibbs energies of mixing, ∆mix G, determined in the present study are listed as follows: Δ_{{mix}} G({W}_{0.667} {B}_{0.333} )/{{J}} {{mol}}^{ - 1} = {-}78070 + 26.01T ± 70 [1305{-}1422{{ K}}(1032{-}1149°C)], Δ_{{mix}} G(α {W}_{0.50} {B}_{0.50} )/{{J}} {{mol}}^{ - 1} = {-}86140 + 20.19T ± 200 [1310{-}1399{{ K }}(1037{-}1126°C)], Δ_{{mix}} G({W}_{0.330} {B}_{0.670} )/{{J}} {{mol}}^{ - 1} = {-}78910 + 18.11T ± 200 [1228{-}1410{{ K }}(955{-}1137°C)], ; Δ_{{mix}} G({W}_{0.310} {B}_{0.690} )/{{J}} {{mol}}^{ - 1} = {-}77350 + 17.52T ± 500 [1228{-}1410{{ K }}(955{-}1137°C)], Δ_{{mix}} G({W}_{0.195} {B}_{0.805} )/{{J}} {{mol}}^{ - 1} = {-}63920 + 12.08T ± 500 [1170{-}1340{{ K }}(897{-}1067°C)], Δ_{{mix}} G({W}_{0.178} {B}_{0.822} )/{{J}} {{mol}}^{ - 1} = {-}60090 + 11.15T ± 200 [1170{-}1340{{ K }}(897{-}1067°C)]. Using the thermodynamic properties determined in the present study, the composition-oxygen partial pressure diagram of the tungsten-boron-oxygen system was constructed under the conditions at 1273 K (1000 °C) and a total pressure of 1 bar (100 kPa). It is useful to understand the oxidation property of tungsten-boron binary alloys.

  4. 04 Josiah Willard Gibbs

    Indian Academy of Sciences (India)

    Resonance journal of science education. July 2007 Volume 12 Number 7. GENERAL ARTICLES. 04 Josiah Willard Gibbs. V Kumaran. 12 Josiah Willard Gibbs and his Ensembles. K P N Murthy. 27 On Sums of Powers of Integers. Shailesh A Shirali. 44 Chemistry: The Middle Kingdom. Gautam R Desiraju. 61 Robots of the ...

  5. Calculation of the Gibbs Free Energy of Solvation and Dissociation of HCl in Water via Monte Carlo Simulations and Continuum Solvation Models (United States)


    concentrations and temperatures,12–19 including vapor- and liquid-phase mole fractions of HCl as functions of tempera- ture.20 Equations to predict the...Å for O, q = !0.15 |e| for Cl and !0.784 |e| for O). The Lorentz– Berthelot combining rules74 were used for unlike interactions, and all interactions...from the corresponding fixed- concentration Gibbs free energies of solvation calculated by the following equation DG(S;XðTÞ ¼ DG ( S;X;refð298Þ þ DG

  6. Evaluation of the Gibbs Free Energy Changes and Melting Temperatures of DNA/DNA Duplexes Using Hybridization Enthalpy Calculated by Molecular Dynamics Simulation. (United States)

    Lomzov, Alexander A; Vorobjev, Yury N; Pyshnyi, Dmitrii V


    A molecular dynamics simulation approach was applied for the prediction of the thermal stability of oligonucleotide duplexes. It was shown that the enthalpy of the DNA/DNA complex formation could be calculated using this approach. We have studied the influence of various simulation parameters on the secondary structure and the hybridization enthalpy value of Dickerson-Drew dodecamer. The optimal simulation parameters for the most reliable prediction of the enthalpy values were determined. The thermodynamic parameters (enthalpy and entropy changes) of a duplex formation were obtained experimentally for 305 oligonucleotides of various lengths and GC-content. The resulting database was studied with molecular dynamics (MD) simulation using the optimized simulation parameters. Gibbs free energy changes and the melting temperatures were evaluated using the experimental correlation between enthalpy and entropy changes of the duplex formation and the enthalpy values calculated by the MD simulation. The average errors in the predictions of enthalpy, the Gibbs free energy change, and the melting temperature of oligonucleotide complexes were 11%, 10%, and 4.4 °C, respectively. We have shown that the molecular dynamics simulation gives a possibility to calculate the thermal stability of native DNA/DNA complexes a priori with an unexpectedly high accuracy.

  7. Thermodynamic description of the Al-Mg-Si system using a new formulation for the temperature dependence of the excess Gibbs energy

    Energy Technology Data Exchange (ETDEWEB)

    Tang, Ying [State Key Laboratory of Powder Metallurgy, Central South University, Changsha, Hunan 410083 (China); Du, Yong, E-mail: [State Key Laboratory of Powder Metallurgy, Central South University, Changsha, Hunan 410083 (China); Zhang, Lijun [State Key Laboratory of Powder Metallurgy, Central South University, Changsha, Hunan 410083 (China); Interdisciplinary Centre for Advanced Materials Simulation (ICAMS), Ruhr-Universitaet Bochum, Stiepeler Str. 129, 44801 Bochum (Germany); Yuan, Xiaoming [State Key Laboratory of Powder Metallurgy, Central South University, Changsha, Hunan 410083 (China); Kaptay, George [Department of Nanotechnology, University of Miskolc, H-3515 Miskolc, Egyetemvaros E/7 - 606 (Hungary); Department of Nano-materials, BAY-LOGI Research Institute, H-3515 Miskolc, Egyetemvaros E/7 - 606 (Hungary)


    Highlights: Black-Right-Pointing-Pointer An exponential formulation to describe ternary excess Gibbs energy is proposed. Black-Right-Pointing-Pointer Theoretical analysis is performed to verify stability of phase using new formulation. Black-Right-Pointing-Pointer Al-Mg-Si system and its boundary binaries have been assessed by the new formulation. Black-Right-Pointing-Pointer Present calculations for Al-Mg-Si system are more reasonable than previous ones. - Abstract: An exponential formulation was proposed to replace the linear interaction parameter in the Redlich-Kister (R-K) polynomial for the excess Gibbs energy of ternary solution phase. The theoretical analysis indicates that the proposed new exponential formulation can not only avoid the artificial miscibility gap at high temperatures but also describe the ternary system well. A thermodynamic description for the Al-Mg-Si system and its boundary binaries was then performed by using both R-K linear and exponential formulations. The inverted miscibility gaps occurring in the Mg-Si and the Al-Mg-Si systems at high temperatures due to the use of R-K linear polynomials are avoided by using the new formulation. Besides, the thermodynamic properties predicted with the new formulation confirm the general thermodynamic belief that the solution phase approaches to the ideal solution at infinite temperatures, which cannot be described with the traditional R-K linear polynomials.

  8. Instant Sublime Text starter

    CERN Document Server

    Haughee, Eric


    A starter which teaches the basic tasks to be performed with Sublime Text with the necessary practical examples and screenshots. This book requires only basic knowledge of the Internet and basic familiarity with any one of the three major operating systems, Windows, Linux, or Mac OS X. However, as Sublime Text 2 is primarily a text editor for writing software, many of the topics discussed will be specifically relevant to software development. That being said, the Sublime Text 2 Starter is also suitable for someone without a programming background who may be looking to learn one of the tools of

  9. Strand Analysis, a free online program for the computational identification of the best RNA interference (RNAi targets based on Gibbs free energy

    Directory of Open Access Journals (Sweden)

    Tiago Campos Pereira


    Full Text Available The RNA interference (RNAi technique is a recent technology that uses double-stranded RNA molecules to promote potent and specific gene silencing. The application of this technique to molecular biology has increased considerably, from gene function identification to disease treatment. However, not all small interfering RNAs (siRNAs are equally efficient, making target selection an essential procedure. Here we present Strand Analysis (SA, a free online software tool able to identify and classify the best RNAi targets based on Gibbs free energy (deltaG. Furthermore, particular features of the software, such as the free energy landscape and deltaG gradient, may be used to shed light on RNA-induced silencing complex (RISC activity and RNAi mechanisms, which makes the SA software a distinct and innovative tool.

  10. Towards an understanding of the molecular mechanism of solvation of drug molecules: a thermodynamic approach by crystal lattice energy, sublimation, and solubility exemplified by paracetamol, acetanilide, and phenacetin. (United States)

    Perlovich, German L; Volkova, Tatyana V; Bauer-Brandl, Annette


    Temperature dependencies of saturated vapor pressure for the monoclinic modification of paracetamol (acetaminophen), acetanilide, and phenacetin (acetophenetidin) were measured and thermodynamic functions of sublimation calculated (paracetamol: DeltaGsub298=60.0 kJ/mol; DeltaHsub298=117.9+/-0.7 kJ/mol; DeltaSsub298=190+/-2 J/mol.K; acetanilide: DeltaGsub298=40.5 kJ/mol; DeltaHsub298=99.8+/-0.8 kJ/mol; DeltaSsub298=197+/-2 J/mol.K; phenacetin: DeltaGsub298=52.3 kJ/mol; DeltaHsub298=121.8+/-0.7 kJ/mol; DeltaSsub298=226+/-2 J/mol.K). Analysis of packing energies based on geometry optimization of molecules in the crystal lattices using diffraction data and the program Dmol3 was carried out. Parameters analyzed were: (a) energetic contribution of van der Waals forces and hydrogen bonding to the total packing energy; (b) contributions of fragments of the molecules to the packing energy. The fraction of hydrogen bond energy in the packing energy increases as: phenacetin (17.5%)paracetamol (34.0%). Enthalpies of evaporation were estimated from enthalpies of sublimation and fusion. Activity coefficients of the drugs in n-octanol were calculated from cryoscopic data and by estimation of dilution enthalpy obtained from solubility and calorimetric experiments (for infinite dissolution). Solubility temperature dependencies in n-octanol and n-hexane were measured. The thermodynamic functions of solubility and solvation processes were deduced. Specific and nonspecific solvation terms were distinguished using the transfer from the "inert" n-hexane to the other solvents. The transfer of the molecules from water to n-octanol is enthalpy driven for paracetamol; for acetanilide and phenacetin, entropy driven. Copyright (c) 2006 Wiley-Liss, Inc. and the American Pharmacists Association

  11. Anchor points for the unified Brønsted acidity scale: the rCCC model for the calculation of standard Gibbs energies of proton solvation in eleven representative liquid media. (United States)

    Himmel, Daniel; Goll, Sascha K; Leito, Ivo; Krossing, Ingo


    The COSMO cluster-continuum (CCC) solvation model is introduced for the calculation of standard Gibbs solvation energies of protons. The solvation sphere of the proton is divided into an inner proton-solvent cluster with covalent interactions and an outer solvation sphere that interacts electrostatically with the cluster. Thus, the solvation of the proton is divided into two steps that are calculated separately: 1) The interaction of the proton with one or more solvent molecules is calculated in the gas phase with high-level quantum-chemical methods (modified G3 method). 2) The Gibbs solvation energy of the proton-solvent cluster is calculated by using the conductor-like screening model (COSMO). For every solvent, the solvation of the proton in at least two (and up to 11) proton-solvent clusters was calculated. The resulting Gibbs solvation energies of the proton were weighted by using Boltzmann statistics. The model was evaluated for the calculation of Gibbs solvation energies by using experimental data of water, MeCN, and DMSO as a reference. Allowing structural relaxation of the proton-solvent clusters and the use of structurally relaxed Gibbs solvation energies improved the accordance with experimental data especially for larger clusters. This variation is denoted as the relaxed COSMO cluster-continuum (rCCC) model, for which we estimate a 1σ error bar of 10 kJ mol(-1) . Gibbs solvation energies of protons in the following representative solvents were calculated: Water, acetonitrile, sulfur dioxide, dimethyl sulfoxide, benzene, diethyl ether, methylene chloride, 1,2-dichloroethane, sulfuric acid, fluorosulfonic acid, and hydrogen fluoride. The obtained values are absolute chemical standard potentials of the proton (pH=0 in this solvent). They are used to anchor the individual solvent specific acidity (pH) scales to our recently introduced absolute acidity scale. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  12. Gibbs Free Energy of Formation of Eu 1+ yBa 2- yCu 3O 7- xand Related Phases in the Eu 2O 3-CuO-BaO System (United States)

    Przybyło, W.; Onderka, B.; Fitzner, K.


    The Gibbs energies of formation of the ternary phases in the Eu-Ba-Cu-O system have been obtained from solid state electrochemical measurements in the temperature range 973 to 1173 K. Cells employing single-crystal calcium fluoride as an electrolyte were used in studies of CuBaO2, Eu2CuBaO5, and Eu1+yBa2-yCu3O7-x(y= 0, 0.5). Based on the results of emf measurements the standard Gibbs free energy of formation of respective phases from the constituent oxides was derived.

  13. Circular dichroism and UV resonance Raman study of the impact of alcohols on the Gibbs free energy landscape of an α-helical peptide† (United States)

    Xiong, Kan; Asher, Sanford A


    We used CD and UV resonance Raman spectroscopy to study the impact of alcohols on the conformational equilibria and relative Gibbs free energy landscapes along the Ramanchandran Ψ-coordinate of a mainly poly-ala peptide, AP of sequence AAAAA(AAARA)3A. 2,2,2-trifluroethanol (TFE) most stabilizes the α-helical-like conformations, followed by ethanol, methanol and pure water. The π-bulge conformation is stabilized more than the α-helix, while the 310-helix is destabilized due to the alcohol increased hydrophobicity. Turns are also stabilized by alcohols. We also found that while TFE induces more α-helices, it favors multiple, shorter helix segments. PMID:20225890

  14. Effect of UV irradiation on the surface Gibbs energy of Ti6Al4V and thermally oxidized Ti6Al4V. (United States)

    Pacha-Olivenza, M A; Gallardo-Moreno, A M; Méndez-Vilas, A; Bruque, J M; González-Carrasco, J L; González-Martín, M L


    Thermal oxidation of Ti6Al4V increases the thickness, modifies the structure, and changes the amount of alloying elements of the surface titanium dioxide layer with respect to the spontaneous passive layer of Ti6Al4V. The effects on the surface properties of Ti6Al4V and thermally oxidized Ti6Al4V after different periods of UV irradiation have been studied by measurement of water, formamide, and diiodomethane contact angles. The rate of modification of the water contact angle with the irradiation time is dependent on the surface treatment, but the water adhesion work, after an initial energetic step, follows a similar trend for both. Application of the Young equation together with the van Oss approach allowed evaluation of the surface Gibbs energy of the alloys. Similar to the water adhesion work, the surface Gibbs energy dependence on the irradiation time follows a similar trend for both samples and it is due to the change of the electron-donor parameter of the acid-base component. Also, a linear relationship common for both samples has been obtained between the cosines of the water contact angle and the formamide or diiodomethane contact angle. These facts indicate that the surface modification continuously produced by the UV irradiation is similar all along the process and similar for both samples after an energetic threshold for the thermally oxidized sample. It has been also tested that the hydrophilic-hydrophobic conversion is reversible for Ti6Al4V and Ti6Al4V thermally treated.

  15. Dynamical Gibbs-non-Gibbs transitions and Brownian percolation

    NARCIS (Netherlands)

    Martinez, Julian Facundo


    This thesis deals with two different models in two different contexts. The first part deals with dynamical Gibbs-non-Gibbs transitions. Gibbs measures describe the equilibrium states of a system consisting of a large number of components that interact with each other. Due to the large number of

  16. Gibbs-non-Gibbs transitions and vector-valued integration

    NARCIS (Netherlands)

    Zuijlen, van W.B.


    This thesis consists of two distinct topics. The first part of the thesis con- siders Gibbs-non-Gibbs transitions. Gibbs measures describe the macro- scopic state of a system of a large number of components that is in equilib- rium. It may happen that when the system is transformed, for example, by

  17. New active asteroid 313P/Gibbs

    Energy Technology Data Exchange (ETDEWEB)

    Jewitt, David; Hui, Man-To; Li, Jing [Department of Earth, Planetary and Space Sciences, UCLA, 595 Charles Young Drive East, Los Angeles, CA 90095-1567 (United States); Agarwal, Jessica [Max Planck Institute for Solar System Research, Max-Planck-Str. 2, D-37191 Katlenburg-Lindau (Germany); Peixinho, Nuno [Unidad de Astronomía, Fac. de Ciencias Básicas, Universidad de Antofagasta, Avda. U. de Antofagasta 02800, Antofagasta (Chile); Weaver, Harold [The Johns Hopkins University Applied Physics Laboratory, 11100 Johns Hopkins Road, Laurel, Maryland, MD 20723 (United States); Mutchler, Max [Space Telescope Science Institute, 3700 San Martin Drive, Baltimore, MD 21218 (United States); Larson, Stephen, E-mail: [Lunar and Planetary Laboratory, University of Arizona, 1629 E. University Blvd. Tucson AZ 85721-0092 (United States)


    We present initial observations of the newly discovered active asteroid 313P/Gibbs (formerly P/2014 S4), taken to characterize its nucleus and comet-like activity. The central object has a radius ∼0.5 km (geometric albedo 0.05 assumed). We find no evidence for secondary nuclei and set (with qualifications) an upper limit to the radii of such objects near 20 m, assuming the same albedo. Both aperture photometry and a morphological analysis of the ejected dust show that mass-loss is continuous at rates ∼0.2–0.4 kg s{sup −1}, inconsistent with an impact origin. Large dust particles, with radii ∼50–100 μm, dominate the optical appearance. At 2.4 AU from the Sun, the surface equilibrium temperatures are too low for thermal or desiccation stresses to be responsible for the ejection of dust. No gas is spectroscopically detected (limiting the gas mass-loss rate to <1.8 kg s{sup −1}). However, the protracted emission of dust seen in our data and the detection of another episode of dust release near perihelion, in archival observations from 2003, are highly suggestive of an origin by the sublimation of ice. Coincidentally, the orbit of 313P/Gibbs is similar to those of several active asteroids independently suspected to be ice sublimators, including P/2012 T1, 238P/Read, and 133P/Elst–Pizarro, suggesting that ice is abundant in the outer asteroid belt.

  18. The Differential Gibbs Free Energy of Activation and its Implications in the Transition-State of Enzymatic Reactions (United States)

    Maggi, F.; Riley, W. J.


    We propose a mathematical framework to introduce the concept of differential free energy of activation in enzymatically catalyzed reactions, and apply it to N uptake by microalgae and bacteria. This framework extends the thermodynamic capabilities of the classical transition-state theory in and harmonizes the consolidated definitions of kinetic parameters with their thermodynamic and physical meaning. Here, the activation energy is assumed to be a necessary energetic level for equilibrium complexation between reactants and activated complex; however, an additional energy contribution is required for the equilibrium activated complex to release reaction products. We call this "differential free energy of activation"; it can be described by a Boltzmann distribution, and corresponds to a free energy level different from that of complexation. Whether this level is above or below the free energy of activation depends on the reaction, and defines energy domains that correspond to "superactivated", "activated", and "subactivated" complexes. The activated complex reaching one of those states will eventually release the products from an energy level different than that of activation. The concept of differential free energy of activation was tested on 57 independent experiments of NH­4+ and NO3- uptake by various microalgae and bacteria at temperatures ranging between 1 and 45oC. Results showed that the complexation equilibrium always favored the activated complex, but the differential energy of activation led to an apparent energy barrier consistent with observations. Temperature affected all energy levels within this framework but did not alter substantially these thermodynamic features. Overall the approach: (1) provides a thermodynamic and mathematical link between Michaelis-Menten and rate constants; (2) shows that both kinetic parameters can be described or approximated by Arrhenius' like equations; (3) describes the likelihood of formation of sub-, super-, and

  19. Sublimation, culture, and creativity. (United States)

    Kim, Emily; Zeppenfeld, Veronika; Cohen, Dov


    Combining insights from Freud and Weber, this article explores whether Protestants (vs. Catholics and Jews) are more likely to sublimate their taboo feelings and desires toward productive ends. In the Terman sample (Study 1), Protestant men and women who had sexual problems related to anxieties about taboos and depravity had greater creative accomplishments, as compared to those with sexual problems unrelated to such concerns and to those reporting no sexual problems. Two laboratory experiments (Studies 2 and 3) found that Protestants produced more creative artwork (sculptures, poems, collages, cartoon captions) when they were (a) primed with damnation-related words, (b) induced to feel unacceptable sexual desires, or (c) forced to suppress their anger. Activating anger or sexual attraction was not enough; it was the forbidden or suppressed nature of the emotion that gave the emotion its creative power. The studies provide possibly the first experimental evidence for sublimation and suggest a cultural psychological approach to defense mechanisms.


    Directory of Open Access Journals (Sweden)

    Martha de Almeida


    Full Text Available A obra Uma investigação filosófica sobre a origem de nossas idéias do sublime e dobelo, do sensualista inglês Edmund Burke (1757, data as origens do sublime na Modernidade. Nosublime ocorre é um prazer ligado à dor, um "horror delicioso" que sentimos quando acreditamosque estamos em perigo sem que isso esteja ocorrendo realmente. Em O mundo como Vontade erepresentação Schopenhauer assume as influências que sofreu de Kant no que diz respeito à suainterpretação sobre o belo e o sublime, porém difere dele quanto à natureza dessa impressão. ParaSchopenhauer a experiência estética pressupõe a dissolução da subjetividade num movimento decontemplação das idéias livre do querer imposto pela vontade individual. As idéias deSchopenhauer influenciaram a estética do Nietzsche de O nascimento da tragédia.

  1. Modelling Sublimation of Carbon Dioxide (United States)

    Winkel, Brian


    In this article, the author reports results in their efforts to model sublimation of carbon dioxide and the associated kinetics order and parameter estimation issues in their model. They have offered the reader two sets of data and several approaches to determine the rate of sublimation of a piece of solid dry ice. They presented several models…

  2. Los cuerpos sublimes

    Directory of Open Access Journals (Sweden)

    Juan Pablo Zangara


    Full Text Available La narración de crímenes en la prensa de masas y las pantallas parece constituir una versión contemporánea del magnetismo según Edgar Allan Poe. La estetización mediática (ya no la información de una serie reciente de feminicidios permite reconocer una cierta lógica de lo sublime como clave de la producción de noticias-mercancías. En su variante clásica, la ficción policial funciona como una matriz ideológica decisiva de la enunciación periodística.

  3. (Vapour + liquid) equilibrium in (N,N-dimethylacetamide + methanol + water) at the temperature 313.15 K[N,N-Dimethylacetamide; Water; Methanol; Amides; Binary mixtures; Ternary mixtures; (Vapour+liquid) equilibrium; Excess Gibbs free energy; Correlation

    Energy Technology Data Exchange (ETDEWEB)

    Zielkiewicz, Jan. E-mail:


    Total vapour pressures, measured at the temperature 313.15 K, are reported for the ternary mixture (N,N-dimethylacetamide + methanol + water), and for binary constituents (N,N-dimethylacetamide + methanol) and (N,N-dimethylacetamide + water). The present results are compared with previously obtained data for binary mixtures (amide + water) and (amide + methanol), where amide=N-methylformamide, N,N-dimethylformamide, N-methyl-acetamide, 2-pyrrolidinone and N-methylpyrrolidinone. Moreover, it was found that excess Gibbs free energy of mixing for binary mixtures varies roughly linearly with the molar volume of amide.

  4. Numerical implementation and oceanographic application of the Gibbs potential of ice

    Directory of Open Access Journals (Sweden)

    R. Feistel


    Full Text Available The 2004 Gibbs thermodynamic potential function of naturally abundant water ice is based on much more experimental data than its predecessors, is therefore significantly more accurate and reliable, and for the first time describes the entire temperature and pressure range of existence of this ice phase. It is expressed in the ITS-90 temperature scale and is consistent with the current scientific pure water standard, IAPWS-95, and the 2003 Gibbs potential of seawater. The combination of these formulations provides sublimation pressures, freezing points, and sea ice properties covering the parameter ranges of oceanographic interest. This paper provides source code examples in Visual Basic, Fortran and C++ for the computation of the Gibbs function of ice and its partial derivatives. It reports the most important related thermodynamic equations for ice and sea ice properties.

  5. Sublime Views and Beautiful Explanations

    DEFF Research Database (Denmark)

    Barry, Daved; Meisiek, Stefan; Hatch, Mary Jo

    To create a generative theory that provides beautiful explanations and sublime views requires both a crafts and an art approach to scientific theorizing. The search for generativity leads scholars to perform various theorizing moves between the confines of simple, yet eloquent beauty, and the ran......To create a generative theory that provides beautiful explanations and sublime views requires both a crafts and an art approach to scientific theorizing. The search for generativity leads scholars to perform various theorizing moves between the confines of simple, yet eloquent beauty...

  6. Determination of standard molar Gibbs free energy of formation of Bi{sub 2}O{sub 3} over a wide temperature range by EMF method[Liquid bismuth; Solid electrolyte; Bi2O3; EMF cells; RuO2 electrode; Gibbs free energy of formation

    Energy Technology Data Exchange (ETDEWEB)

    Ganesan, Rajesh; Gnanasekaran, T. E-mail:; Srinivasa, Raman S


    The EMF of the following galvanic cells (W,Bi,Bi{sub 2}O{sub 3}|CSZ|O{sub 2} (1 atm),RuO{sub 2},Pt))(W,Bi,Bi{sub 2}O{sub 3}|CSZ|O{sub 2} (1 atm),Pt))were measured over a wide range of temperature (572 to 1127) K. With O{sub 2} (1 atm) reference and RuO{sub 2} as the electrode material with Pt as electrical lead, measurements were possible at temperatures close to the melting temperature of Bi. Standard Gibbs free energies of formation, {delta}{sub f}G{sup 0}{sub m} of Bi{sub 2}O{sub 3}(s) (both {alpha} and {delta} phases) and Bi{sub 2}O{sub 3}(l) were calculated from the emf measurements and are given by the following expressions:({delta}{sub f}G{sup 0}{sub m}<{alpha}-Bi{sub 2}O{sub 3}>{+-}0.3 kJ{center_dot}mol{sup -1}=-583.4+0.2938T/K (572{<=}T{<=}988 K),))({delta}{sub f}G{sup 0}{sub m}<{delta}-Bi{sub 2}O{sub 3}>{+-}0.4 kJ{center_dot}mol{sup -1}=-543.8+0.2538T/K (988{<=}T{<=}1098 K),))({delta}{sub f}G{sup 0}{sub m}{l_brace}Bi{sub 2}O{sub 3}{r_brace}{+-}0.3. kJ{center_dot}mol{sup -1}=-492.4+0.2070T/K (1098{<=}T{<=}1127 K).))A third law treatment of the data yielded a value of -568.4 {+-} 0.5 kJ {center_dot} mol{sup -1} for the enthalpy of formation of Bi{sub 2}O{sub 3}(s) at T=298.15 K, {delta}{sub f}H{sup 0}{sub m,298.15K}<{alpha}-Bi{sub 2}O{sub 3}>, which is in good agreement with the second law estimate of -570.8 {+-} 0.3 kJ {center_dot} mol{sup -1}.

  7. Eisenhower and the American Sublime (United States)

    O'Gorman, Ned


    This essay presents Dwight D. Eisenhower's presidential rhetoric as an iteration of an American synecdochal sublime. Eisenhower's rhetoric sought to re-aim civic sight beyond corporeal objects to the nation's transcendental essence. This rhetoric is intimately connected to prevailing political anxieties and exigencies, especially the problem of…


    NARCIS (Netherlands)

    Verbitskiy, Evgeny


    In this paper we study a large class of renormalization transformations of measures on lattices. An image of a Gibbs measure under such transformation is called a fuzzy Gibbs measure. Transformations of this type and fuzzy Gibbs measures appear naturally in many fields. Examples include the hidden

  9. Partial phase diagrams of Pb-Mo-O system and the standard molar Gibbs energy of formation of PbMoO4 and Pb2MoO5 (United States)

    Aiswarya, P. M.; Ganesan, Rajesh; Gnanasekaran, T.


    Partial phase diagrams of Pb-Mo-O system have been established at 773 K and 998 K based on phase equilibration studies. Standard molar Gibbs energy of formation of ternary oxides PbMoO4 and Pb2MoO5 were determined by measuring the equilibrium oxygen partial pressures over relevant phase fields using emf cells and are given by the following expressions: ΔfGm° ± 0.7(kJmol-1) = - 1030.1 + 0.3054(T /K) (T : 772to 1017K) ΔfGm° ± 0.8(kJmol-1) = - 1248.1 + 0.3872(T /K) (T : 741to 1021K)

  10. Gibbs Variable Selection using BUGS

    Directory of Open Access Journals (Sweden)

    Ioannis Ntzoufras


    Full Text Available In this paper we discuss and present in detail the implementation of Gibbs variable selection as defined by Dellaportas et al. (2000, 2002 using the BUGS software (Spiegelhalter et al. , 1996a,b,c. The specification of the likelihood, prior and pseudo-prior distributions of the parameters as well as the prior term and model probabilities are described in detail. Guidance is also provided for the calculation of the posterior probabilities within BUGS environment when the number of models is limited. We illustrate the application of this methodology in a variety of problems including linear regression, log-linear and binomial response models.

  11. Feasibility study of CO2 capture by anti-sublimation

    NARCIS (Netherlands)

    Schach, M.O.; Oyarzun, B.A.; Schramm, H.; Schneider, R.; Repke, J.U.


    Processes for carbon capture and storage have the drawback of high energy demand. In this work the application of CO2 capture by anti-sublimation is analyzed. The process was simulated using Aspen Plus. Process description is accomplished by phase equilibria models which are able to reproduce the

  12. Isothermal and non-isothermal sublimation kinetics of zirconium tetrachloride (ZrCl{sub 4}) for producing nuclear grade Zr

    Energy Technology Data Exchange (ETDEWEB)

    Shin, Jae Hong [Department of Materials Engineering, Hanyang University, Ansan 426-791 (Korea, Republic of); Choi, Mi Sun [Research Institute of Industrial Science and Technology (RIST), Pohang 790-330 (Korea, Republic of); Min, Dong Joon [Department of Materials Science and Engineering, Yonsei University, Seoul 120-749 (Korea, Republic of); Park, Joo Hyun, E-mail: [Department of Materials Engineering, Hanyang University, Ansan 426-791 (Korea, Republic of)


    Sublimation of ZrCl{sub 4} is important for the production of nuclear grade metallic Zr in Kroll's process. The sublimation kinetics of ZrCl{sub 4} was investigated by thermogravimetric analysis under both isothermal and non-isothermal conditions. The sublimation rate of ZrCl{sub 4} increased with increasing temperature under isothermal conditions. ZrCl{sub 4} sublimation was confirmed to be a zero-order process under isothermal conditions, whereas it was first-order kinetics under non-isothermal conditions. The activation energy of ZrCl{sub 4} sublimation under isothermal conditions was 21.7 kJ mol{sup −1}. The activation energy for non-isothermal sublimation was 101.4 kJ mol{sup −1} and 108.1 kJ mol{sup −1} with the Kissinger method and Flynn–Wall–Ozawa method, respectively. These non-isothermal activation energies were very close to the heat of sublimation (103.3 kJ mol{sup −1}). Sublimation occurs by two elementary steps: surface reaction and desorption. Therefore, the overall activation energy of ZrCl{sub 4} sublimation is 104.8 (±3.4) kJ mol{sup −1}. The activation energy of the surface reaction and desorption steps are proposed to be 83.1 kJ mol{sup −1} and 21.7 kJ mol{sup −1}, respectively. - Highlights: • Sublimation kinetics of ZrCl{sub 4} was quantitatively analyzed using TGA method. • Isothermal and non-isothermal sublimation kinetics were quantitatively evaluated. • Activation energies of isothermal and non-isothermal kinetics were obtained. • Sublimation mechanism was proposed from kinetic analyses and SEM observations. • This kinetic information will be very useful in production of nuclear grade Zr.

  13. Finite agents, sublime feelings: response to Hanauer


    Deligiorgi, Katerina


    Tom Hanauer's thoughtful discussion of my article “The Pleasures of Contra-purposiveness: Kant, the Sublime, and Being Human” (2014) puts pressure on two important issues concerning the affective phenomenology of the sublime. My aim in that article was to present an analysis of the sublime that does not suffer from the problems identified by Jane Forsey in “Is a Theory of the Sublime Possible?” (2007). I argued that Kant's notion of reflective judgment can help with this task, because it allo...

  14. Enthalpies of sublimation of fullerenes by thermogravimetry

    Energy Technology Data Exchange (ETDEWEB)

    Martínez-Herrera, Melchor; Campos, Myriam; Torres, Luis Alfonso; Rojas, Aarón, E-mail:


    Graphical abstract: - Highlights: • Enthalpies of sublimation of fullerenes were measured by thermogravimetry. • Results of enthalpies of sublimation are comparable with data reported in literature. • Not previously reported enthalpy of sublimation of C{sub 78} is supplied in this work. • Enthalpies of sublimation show a strong dependence with the number of carbon atoms in the cluster. • Enthalpies of sublimation are congruent with dispersion forces ruling cohesion of solid fullerene. - Abstract: The enthalpies of sublimation of fullerenes, as measured in the interval of 810–1170 K by thermogravimetry and applying the Langmuir equation, are reported. The detailed experimental procedure and its application to fullerenes C{sub 60}, C{sub 70}, C{sub 76}, C{sub 78} and C{sub 84} are supplied. The accuracy and uncertainty associated with the experimental results of the enthalpy of sublimation of these fullerenes show that the reliability of the measurements is comparable to that of other indirect high-temperature methods. The results also indicate that the enthalpy of sublimation increases proportionally to the number of carbon atoms in the cluster but there is also a strong correlation between the enthalpy of sublimation and the polarizability of each fullerene.

  15. Schopenhauer, Nietzsche, and the Aesthetically Sublime (United States)

    Vandenabeele, Bart


    Much has been written on the relationship between Arthur Schopenhauer and Friedrich Nietzsche. Much remains to be said, however, concerning their respective theories of the sublime. In this article, the author first argues against the traditional, dialectical view of Schopenhauer's theory of the sublime that stresses the crucial role the sublime…

  16. Sacred Space and Sublime Sacramental Piety

    DEFF Research Database (Denmark)

    Petersen, Nils Holger


    Analyses and Discussions of Mozart's Sacramental Litanies K. 125 and K. 243 in relation to the notions of the Sacred and the Sublime.......Analyses and Discussions of Mozart's Sacramental Litanies K. 125 and K. 243 in relation to the notions of the Sacred and the Sublime....

  17. Sublimation Kinetic Studies of the Zr(tmhd4 Complex

    Directory of Open Access Journals (Sweden)

    T. S. Arul Jeevan


    Full Text Available The thermal behaviour of tetrakis(2,2,6,6-tetramethyl-3,5-heptanedionatozirconium(IV, [Zr(tmhd4] was investigated by nonisothermal and isothermal thermogravimetric methods in a high pure nitrogen atmosphere. The influence of the heating rate in dynamic measurements (6, 8, 10, and 12°C/min on activation energy was also studied. The nonisothermal sublimation activation energy values determined following the procedures of Arrhenius, Coats and Redfern, Kissinger, and Flynn-Wall yielded 76±5, 92±2, 81±8, and 72±7 kJ/mol, respectively, and the isothermal sublimation activation energy was found to be 87±4 kJ/mol over the temperature range of 411–462 K. Different reaction mechanisms were used to compare with this value. Analysis of the experimental results suggested that the actual reaction mechanism was an Rn deceleration type.

  18. The effect of pH and free Mg2+ on ATP linked enzymes and the calculation of Gibbs free energy of ATP hydrolysis. (United States)

    Bergman, Christian; Kashiwaya, Yoshihiro; Veech, Richard L


    The apparent equilibrium constants, K′, of biochemical reactions containing substrates which bind [Mg2+] unequally can be significantly altered by changes in free intracellular [Mg2+]. Intracellular free [Mg2+] can be estimated by measurements of [citrate]/[isocitrate], a ratio known to vary with tissue free [Mg2+]. The combined equilibrium constant for glyceraldehyde-3-phosphate dehydrogenase, phosphoglycerate kinase, and triose phosphate isomerase for the three reactions (K(GG-TPI)′) was corrected using new binding constants for dihydroxyacetone-phosphate and 3-phosphoglycerate. The result of this calculation is demonstrated in the calculation of the free energy of ATP hydrolysis. In addition, the dependence of the equilibrium constant for the glutamine synthetase reaction on pH and free [Mg2+] was demonstrated. Furthermore, a theory linking the ΔG′ value of mitochondrial complex I−II and the cytosolic ΔG′ value of ATP hydrolysis is discussed with evidence from previous publications.

  19. Bovicin HC5 and nisin reduce Staphylococcus aureus adhesion to polystyrene and change the hydrophobicity profile and Gibbs free energy of adhesion. (United States)

    Pimentel-Filho, Natan de Jesus; Martins, Mayra Carla de Freitas; Nogueira, Guilherme Bicalho; Mantovani, Hilário Cuquetto; Vanetti, Maria Cristina Dantas


    Staphylococcus aureus is an opportunistic pathogen often multidrug-resistant that not only causes a variety of human diseases, but also is able to survive on biotic and abiotic surfaces through biofilm communities. The best way to inhibit biofilm establishment is to prevent cell adhesion. In the present study, subinhibitory concentrations of the bacteriocins bovicin HC5 and nisin were tested for their capability to interfere with the adhesion of S. aureus to polystyrene. Subinhibitory dosages of the bacteriocins reduced cell adhesion and this occurred probably due to changes in the hydrophobicity of the bacterial cell and polystyrene surfaces. After treatment with bovicin HC5 and nisin, the surfaces became more hydrophilic and the free energy of adhesion (∆G(adhesion)) between bacteria and the polystyrene surface was unfavorable. The transcriptional level of selected genes was assessed by RT-qPCR approach, revealing that the bacteriocins affected the expression of some important biofilm associated genes (icaD, fnbA, and clfB) and rnaIII, which is involved in the quorum sensing mechanism. The conditioning of food-contact surfaces with bacteriocins can be an innovative and powerful strategy to prevent biofilms in the food industry. The results are relevant for food safety as they indicate that bovicin HC5 and nisin can inhibit bacterial adhesion and consequent biofilm establishment, since cell adhesion precedes biofilm formation. Copyright © 2014 Elsevier B.V. All rights reserved.

  20. Geometric and Texture Inpainting by Gibbs Sampling

    DEFF Research Database (Denmark)

    Gustafsson, David Karl John; Pedersen, Kim Steenstrup; Nielsen, Mads


    This paper discuss a method suitable for inpainting both large scale geometric structures and more stochastic texture components. Image inpainting concerns the problem of reconstructing the intensity contents inside regions of missing data. Common techniques for solving this problem are methods....... In this paper we use the well-known FRAME (Filters, Random Fields and Maximum Entropy) for inpainting. We introduce a temperature term in the learned FRAME Gibbs distribution. By sampling using different temperature in the FRAME Gibbs distribution, different contents of the image are reconstructed. We propose...... a two step method for inpainting using FRAME. First the geometric structure of the image is reconstructed by sampling from a cooled Gibbs distribution, then the stochastic component is reconstructed by sample froma heated Gibbs distribution. Both steps in the reconstruction process are necessary...

  1. Streaming Gibbs Sampling for LDA Model


    Gao, Yang; Chen, Jianfei; Zhu, Jun


    Streaming variational Bayes (SVB) is successful in learning LDA models in an online manner. However previous attempts toward developing online Monte-Carlo methods for LDA have little success, often by having much worse perplexity than their batch counterparts. We present a streaming Gibbs sampling (SGS) method, an online extension of the collapsed Gibbs sampling (CGS). Our empirical study shows that SGS can reach similar perplexity as CGS, much better than SVB. Our distributed version of SGS,...

  2. From slump loss to Gibbs' free energy

    DEFF Research Database (Denmark)

    Jensen, Ole Mejlhede; Diamond, Sidney


    material types is appropriate as long as the purpose is to collect, disseminate and use knowledge about the simple physical and chemical properties of specific materials. Through generations, research, teaching and engineering practice have all functioned within this framework without problems. However...... construction materials teaching, the new concept contains a scientifically coherent treatment where phenomena within construction materials are treated as examples. In this way, the construction materials knowledge of the students is generated through inductive catalysis rather than by deductive teaching. Per...

  3. Unifying hydrotropy under Gibbs phase rule. (United States)

    Shimizu, Seishi; Matubayasi, Nobuyuki


    The task of elucidating the mechanism of solubility enhancement using hydrotropes has been hampered by the wide variety of phase behaviour that hydrotropes can exhibit, encompassing near-ideal aqueous solution, self-association, micelle formation, and micro-emulsions. Instead of taking a field guide or encyclopedic approach to classify hydrotropes into different molecular classes, we take a rational approach aiming at constructing a unified theory of hydrotropy based upon the first principles of statistical thermodynamics. Achieving this aim can be facilitated by the two key concepts: (1) the Gibbs phase rule as the basis of classifying the hydrotropes in terms of the degrees of freedom and the number of variables to modulate the solvation free energy; (2) the Kirkwood-Buff integrals to quantify the interactions between the species and their relative contributions to the process of solubilization. We demonstrate that the application of the two key concepts can in principle be used to distinguish the different molecular scenarios at work under apparently similar solubility curves observed from experiments. In addition, a generalization of our previous approach to solutes beyond dilution reveals the unified mechanism of hydrotropy, driven by a strong solute-hydrotrope interaction which overcomes the apparent per-hydrotrope inefficiency due to hydrotrope self-clustering.

  4. On the Variational Principle for Generalized Gibbs Measures

    NARCIS (Netherlands)

    Enter, Aernout van; Verbitskiy, Evgeny


    We present a novel approach to establishing the variational principle for Gibbs and generalized (weak and almost) Gibbs states. Limitations of a thermodynamic formalism for generalized Gibbs states will be discussed. A new class of intuitively Gibbs measures is introduced, and a typical example is

  5. Hamiltonian Monte Carlo with Constrained Molecular Dynamics as Gibbs Sampling. (United States)

    Spiridon, Laurentiu; Minh, David D L


    Compared to fully flexible molecular dynamics, simulations of constrained systems can use larger time steps and focus kinetic energy on soft degrees of freedom. Achieving ergodic sampling from the Boltzmann distribution, however, has proven challenging. Using recent generalizations of the equipartition principle and Fixman potential, here we implement Hamiltonian Monte Carlo based on constrained molecular dynamics as a Gibbs sampling move. By mixing Hamiltonian Monte Carlo based on fully flexible and torsional dynamics, we are able to reproduce free energy landscapes of simple model systems and enhance sampling of macrocycles.





    Gibbs adsorption isotherm of the multicomponent system for concentration instead of chemical potential as independent variables is deduced and explained in a simple way. For the multicomponent system composed of α and β phases with plane interface, if the β phase is a dilute solution, and component k is solvent as well as $c_k^\\alpha \\ll c_k^\\beta, c_i^\\alpha \\ll c_i^\\beta$, Gibbs adsorption isotherm of component i can be expressed as $\\Gamma_i^{(k)} = -(c_i^\\beta/RT)(\\partial \\gamma/\\partial...

  7. Schopenhauer e os paradoxos do sublime

    Directory of Open Access Journals (Sweden)

    François Arnaud


    Full Text Available principal distinção entre a concepção schopenhaueriana e kantiana do sublime reside, segundo este artigo, no fato que o observador, no último caso, deve ser submetido a um perigo apenas possível, enquanto no primeiro caso ele deve ser realmente amedrontado. O principal impulso do sentimento do sublime é de fato, em Schopenhauer, a intervenção da vontade, que deve ser portanto realmente ameaçada. Daí resultam alguns paradoxos e originalidades da teoria do sublime de Schopenhauer, principalmente de um ponto de vista ético, cujos vestígios eu tento seguir.

  8. Measured and modelled sublimation on the tropical Glaciar Artesonraju, Perú

    Directory of Open Access Journals (Sweden)

    M. Winkler


    Full Text Available Sublimation plays a decisive role in the surface energy and mass balance of tropical glaciers. During the dry season (May–September low specific humidity and high surface roughness favour the direct transition from ice to vapour and drastically reduce the energy available for melting. However, field measurements are scarce and little is known about the performance of sublimation parameterisations in glacier mass balance and runoff models.

    During 15 days in August 2005 sublimation was measured on the tongue of Glaciar Artesonraju (8°58' S, 77°38' W in the Cordillera Blanca, Perú, using simple lysimeters. Indicating a strong dependence on surface roughness, daily totals of sublimation range from 1–3 kg m−2 for smooth to 2–5 kg m−2 for rough conditions. (The 15-day means at that time of wind speed and specific humidity were 4.3 m s−1 and 3.8 g kg−1, respectively.

    Measured sublimation was related to characteristic surface roughness lengths for momentum (zm and for the scalar quantities of temperature and water vapour (zs, using a process-based mass balance model. Input data were provided by automatic weather stations, situated on the glacier tongue at 4750 m a.s.l. and 4810 m a.s.l., respectively. Under smooth conditions the combination zm=2.0 mm and zs=1.0 mm appeared to be most appropriate, for rough conditions zm=20.0 mm and zs=10.0 mm fitted best.

    Extending the sublimation record from April 2004 to December 2005 with the process-based model confirms, that sublimation shows a clear seasonality. 60–90% of the energy available for ablation is consumed by sublimation in the dry season, but only 10–15% in the wet season (October–April. The findings are finally used to evaluate the parameterisation of sublimation in the lower-complexity mass

  9. Generalization of Gibbs Entropy and Thermodynamic Relation


    Park, Jun Chul


    In this paper, we extend Gibbs's approach of quasi-equilibrium thermodynamic processes, and calculate the microscopic expression of entropy for general non-equilibrium thermodynamic processes. Also, we analyze the formal structure of thermodynamic relation in non-equilibrium thermodynamic processes.

  10. "Back-fire to lust": G. Stanley Hall, sex-segregated schooling, and the engine of sublimation. (United States)

    Graebner, William


    G. Stanley Hall was an advocate of sex-segregated schooling long after most Americans had accepted coeducation. His position was based in part on personal experience: observations of his father and mother, a repressed and guilt-ridden boyhood sexuality, and his conviction that his own career success was a product of sublimated sexual desire, of erotic energy converted into mental energy. Hall theorized that coeducation put sublimation at risk, and that sex-segregated schools, by contributing to proper gendered development and by prolonging and sublimating the sexual tensions of adolescence, would produce social progress.

  11. Mechanism and kinetics for ammonium dinitramide (ADN) sublimation: a first-principles study. (United States)

    Zhu, R S; Chen, Hui-Lung; Lin, M C


    The mechanism for sublimation of NH(4)N(NO(2))(2) (ADN) has been investigated quantum-mechanically with generalized gradient approximation plane-wave density functional theory calculations; the solid surface is represented by a slab model and the periodic boundary conditions are applied. The calculated lattice constants for the bulk ADN, which were found to consist of NH(4)(+)[ON(O)NNO(2)](-) units, instead of NH(4)(+)[N(NO(2))(2)](-), agree quite well with experimental values. Results show that three steps are involved in the sublimation/decomposition of ADN. The first step is the relaxation of the surface layer with 1.6 kcal/mol energy per NH(4)ON(O)NNO(2) unit; the second step is the sublimation of the surface layer to form a molecular [NH(3)]-[HON(O)NNO(2)] complex with a 29.4 kcal/mol sublimation energy, consistent with the experimental observation of Korobeinichev et al. (10) The last step is the dissociation of the [H(3)N]-[HON(O)NNO(2)] complex to give NH(3) and HON(O)NNO(2) with the dissociation energy of 13.9 kcal/mol. Direct formation of NO(2) (g) from solid ADN costs a much higher energy, 58.3 kcal/mol. Our calculated total sublimation enthalpy for ADN(s) → NH(3)(g) + HON(O)NNO(2)) (g), 44.9 kcal/mol via three steps, is in good agreement with the value, 42.1 kcal/mol predicted for the one-step sublimation process in this work and the value 44.0 kcal/mol computed by Politzer et al. (11) using experimental thermochemical data. The sublimation rate constant for the rate-controlling step 2 can be represented as k(sub) = 2.18 × 10(12) exp (-30.5 kcal/mol/RT) s(-1), which agrees well with available experimental data within the temperature range studied. The high pressure limit decomposition rate constant for the molecular complex H(3)N···HON(O)NNO(2) can be expressed by k(dec) = 3.18 × 10(13) exp (-15.09 kcal/mol/RT) s(-1). In addition, water molecules were found to increase the sublimation enthalpy of ADN, contrary to that found in the ammonium

  12. System and method for suppressing sublimation using opacified aerogel (United States)

    Sakamoto, Jeff S. (Inventor); Snyder, G. Jeffrey (Inventor); Calliat, Thierry (Inventor); Fleurial, Jean-Pierre (Inventor); Jones, Steven M. (Inventor); Palk, Jong-Ah (Inventor)


    The present invention relates to a castable, aerogel-based, ultra-low thermal conductivity opacified insulation to suppress sublimation. More specifically, the present invention relates to an aerogel opacified with various opacifying or reflecting constituents to suppress sublimation and provide thermal insulation in thermoelectric modules. The opacifying constituent can be graded within the aerogel for increased sublimation suppression, and the density of the aerogel can similarly be graded to achieve optimal thermal insulation and sublimation suppression.

  13. Alan Paton's Sublime: Race, Landscape and the Transcendence of ...

    African Journals Online (AJOL)

    This article develops a postcolonial reading of the sublime by suggesting that aesthetic theories of the sublime were, in their classical philosophical formulations by Edmund Burke and Immanuel Kant, founded on problematic assumptions of racial difference. In the colonial sphere, it is argued, the sublime could discursively ...

  14. Biclustering microarray data by Gibbs sampling. (United States)

    Sheng, Qizheng; Moreau, Yves; De Moor, Bart


    Gibbs sampling has become a method of choice for the discovery of noisy patterns, known as motifs, in DNA and protein sequences. Because handling noise in microarray data presents similar challenges, we have adapted this strategy to the biclustering of discretized microarray data. In contrast with standard clustering that reveals genes that behave similarly over all the conditions, biclustering groups genes over only a subset of conditions for which those genes have a sharp probability distribution. We have opted for a simple probabilistic model of the biclusters because it has the key advantage of providing a transparent probabilistic interpretation of the biclusters in the form of an easily interpretable fingerprint. Furthermore, Gibbs sampling does not suffer from the problem of local minima that often characterizes Expectation-Maximization. We demonstrate the effectiveness of our approach on two synthetic data sets as well as a data set from leukemia patients.

  15. A Bayesian Analysis Shows That a Spruce Beetle Outbreak Reduces Snow Interception and Sublimation in a Subalpine Spruce-Fir Forest (United States)

    Frank, J. M.; Massman, W. J.; Ewers, B. E.; Williams, D. G.


    Sublimation is a key component in the water cycle of cold, snow dominated ecosystems. In many high elevation spruce-fir forests of western North America, recent spruce beetle outbreaks have caused widespread tree mortality, opened the canopy, and potentially altered the processes that control sublimation. This study evaluates three hypotheses: in these ecosystems the dominant source for sublimation originates from canopy intercepted snow, the loss of canopy following a beetle disturbance leads to significantly less sublimation, and major sublimation events are driven by the flow of sensible heat into the canopy. Bayesian analysis is used to evaluate a two source energy and canopy mass model that explains seventeen years (2000-2016) of winter eddy-covariance flux data at the GLEES AmeriFlux sites where a spruce beetle outbreak caused 75-85% basal area mortality. The model estimated that the resistance to snow sublimation from the canopy was an order of magnitude less than from the snowpack and that the maximum snow loading in the canopy was reduced to 25-56% of its pre-outbreak capacity. Comparing model results obtained using the observed decrease in leaf area index versus a "no beetle" condition, there has been a significant decrease in ecosystem sublimation since 2011. In the past few years, a 5-11% increase in snowpack sublimation has been offset by 28-32% less sublimation from canopy intercepted snow, with the net being 17-25% less total sublimation. This is equivalent to 3-6% of the total precipitation. Informing the model with information other than the above-canopy fluxes indicates that a near snowpack eddy covariance system decreases the canopy contribution to sublimation, including observed sensible heat fluxes requires a correction to resolve the surface energy imbalance, and stable isotopes of water vapor extend sublimation events. Because tree growth and ecological succession are slow in spruce-fir forests, these results could persist for decades.

  16. Gibbs sampling on large lattice with GMRF (United States)

    Marcotte, Denis; Allard, Denis


    Gibbs sampling is routinely used to sample truncated Gaussian distributions. These distributions naturally occur when associating latent Gaussian fields to category fields obtained by discrete simulation methods like multipoint, sequential indicator simulation and object-based simulation. The latent Gaussians are often used in data assimilation and history matching algorithms. When the Gibbs sampling is applied on a large lattice, the computing cost can become prohibitive. The usual practice of using local neighborhoods is unsatisfying as it can diverge and it does not reproduce exactly the desired covariance. A better approach is to use Gaussian Markov Random Fields (GMRF) which enables to compute the conditional distributions at any point without having to compute and invert the full covariance matrix. As the GMRF is locally defined, it allows simultaneous updating of all points that do not share neighbors (coding sets). We propose a new simultaneous Gibbs updating strategy on coding sets that can be efficiently computed by convolution and applied with an acceptance/rejection method in the truncated case. We study empirically the speed of convergence, the effect of choice of boundary conditions, of the correlation range and of GMRF smoothness. We show that the convergence is slower in the Gaussian case on the torus than for the finite case studied in the literature. However, in the truncated Gaussian case, we show that short scale correlation is quickly restored and the conditioning categories at each lattice point imprint the long scale correlation. Hence our approach enables to realistically apply Gibbs sampling on large 2D or 3D lattice with the desired GMRF covariance.

  17. Art, Terrorism and the Negative Sublime

    Directory of Open Access Journals (Sweden)

    Arnold Berleant


    Full Text Available The range of the aesthetic has expanded to cover not only a wider range of objects and situations of daily life but also to encompass the negative. This includes terrorism, whose aesthetic impact is central to its use as a political tactic. The complex of positive and negative aesthetic values in terrorism are explored, introducing the concept of the sublime as a negative category to illuminate the analysis and the distinctive aesthetic of terrorism.

  18. Gauge fixing and the gibbs phenomenon (United States)

    Mandula, Jeffrey E.


    We address the question of why global gauge fixing, specifically to the lattice Landau gauge, becomes an extremely lengthy process for large lattices. We construct an artificial "gauge-fixing" problem which has the essential features encountered in actuality. In the limit in which the size of the system to be gauge fixed becomes infinite, the problem becomes equivalent to finding a series expansion in functions which are related to the Jacobi polynomials. The series converges slowly, as expected. It also converges non-uniformly, which is an observed characteristic of gauge fixing. In the limiting example, the non-uniformity arises through the Gibbs phenomenon.

  19. Gauge fixing and the gibbs phenomenon

    Energy Technology Data Exchange (ETDEWEB)

    Mandula, Jeffrey E


    We address the question of why global gauge fixing, specifically to the lattice Landau gauge, becomes an extremely lengthy process for large lattices. We construct an artificial 'gauge-fixing' problem which has the essential features encountered in actuality. In the limit in which the size of the system to be gauge fixed becomes infinite, the problem becomes equivalent to finding a series expansion in functions which are related to the Jacobi polynomials. The series converges slowly, as expected. It also converges non-uniformly, which is an observed characteristic of gauge fixing. In the limiting example, the non-uniformity arises through the Gibbs phenomenon.

  20. Psychoanalytic Interpretation of Blueberries by Susan Gibb


    Zalbidea Paniagua, Maya


    [ES] La obra de ficción digital titulada Blueberries (2009) de Susan Gibb, publicada en la ELO (Organización de literatura electrónica) invita al lector/a a viajar dentro de la mente de la protagonista para descubrir sus experiencias reales e imaginarias en las que se examinan las nociones de género, sexo, cuerpo e identidad de una mujer traumatizada. En este artículo se exploran los modos verbales y visuales en esta ficción digital breve siguiendo patrones semióticos así como se interpretan ...

  1. Heterogeneous nucleation in solutions: generalized Gibbs' approach. (United States)

    Abyzov, Alexander S; Schmelzer, Jürn W P


    Heterogeneous nucleation in solutions on planar solid surfaces is modeled taking into account changes of the state parameters of the critical clusters in dependence on supersaturation. The account of the variation of the state parameters of the cluster phase on nucleation is performed in the framework of the generalized Gibbs' approach. A regular solution is chosen as a model for the analysis of the basic qualitative characteristics of the process. It is shown that, employing the generalized Gibbs approach, contact angle and catalytic activity factor for heterogeneous nucleation become dependent on the degree of metastability (supersaturation) of the solution. For the case of formation of a cluster in supersaturated solutions on a surface of low wettability (the macroscopic equilibrium contact angles being larger than 90°), the solid surface has only a minor influence on nucleation. In the alternative case of high wettability (for macroscopic equilibrium contact angles being less than 90°), nucleation is significantly enhanced by the solid surface. Effectively, the existence of the solid surface results in a significant shift of the spinodal to lower supersaturations as compared with homogeneous nucleation. Qualitatively, the same behavior is observed now near the new (solid surface induced) limits of instability of the solution as compared with the behavior near to the spinodal curve in the case of homogeneous nucleation.

  2. Sublime dinâmico e pintura: Turner e Pollock

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    Jair Barboza


    Full Text Available texto tem por objetivo mostrar como a concepção filosófica do sublime em Kant e Schopenhauer pode nos ajudar a ver algumas obras pictóricas de Turner e Pollock. Nesse sentido temos um sublime figurativo (Turner e um sublime não figurativo (Pollock na pintura.

  3. Science Sublime: The Philosophy of the Sublime, Dewey's Aesthetics, and Science Education (United States)

    Cavanaugh, Shane


    Feelings of awe, wonder, and appreciation have been largely ignored in the working lives of scientists and, in turn, science education has not accurately portrayed science to students. In an effort to bring the affective qualities of science into the classroom, this work draws on the writings of the sublime by Burke, Kant, Emerson, and Wordsworth…

  4. Thermodynamics, Gibbs Method and Statistical Physics of Electron Gases Gibbs Method and Statistical Physics of Electron Gases

    CERN Document Server

    Askerov, Bahram M


    This book deals with theoretical thermodynamics and the statistical physics of electron and particle gases. While treating the laws of thermodynamics from both classical and quantum theoretical viewpoints, it posits that the basis of the statistical theory of macroscopic properties of a system is the microcanonical distribution of isolated systems, from which all canonical distributions stem. To calculate the free energy, the Gibbs method is applied to ideal and non-ideal gases, and also to a crystalline solid. Considerable attention is paid to the Fermi-Dirac and Bose-Einstein quantum statistics and its application to different quantum gases, and electron gas in both metals and semiconductors is considered in a nonequilibrium state. A separate chapter treats the statistical theory of thermodynamic properties of an electron gas in a quantizing magnetic field.

  5. Concentration inequalities for functions of Gibbs fields with application to diffraction and random Gibbs measures

    CERN Document Server

    Külske, C


    We derive useful general concentration inequalities for functions of Gibbs fields in the uniqueness regime. We also consider expectations of random Gibbs measures that depend on an additional disorder field, and prove concentration w.r.t the disorder field. Both fields are assumed to be in the uniqueness regime, allowing in particular for non-independent disorder field. The modification of the bounds compared to the case of an independent field can be expressed in terms of constants that resemble the Dobrushin contraction coefficient, and are explicitly computable. On the basis of these inequalities, we obtain bounds on the deviation of a diffraction pattern created by random scatterers located on a general discrete point set in the Euclidean space, restricted to a finite volume. Here we also allow for thermal dislocations of the scatterers around their equilibrium positions. Extending recent results for independent scatterers, we give a universal upper bound on the probability of a deviation of the random sc...

  6. Gibbs sampler optimization for analysis of a granulated medium (United States)

    Koltcov, S. N.; Nikolenko, S. I.; Koltsova, E. Yu.


    A new variant of the method of probability density distribution recovery for solving topical modeling problems is described. Disadvantages of the Gibbs sampling algorithm are considered, and a modified variant, called the "granulated sampling method," is proposed. Based on the results of statistical modeling, it is shown that the proposed algorithm is characterized by higher stability as compared to other variants of Gibbs sampling.

  7. Computing the starting state for Gibbs-Duhem integration

    NARCIS (Netherlands)

    Van 't Hof, A.; De Leeuw, S.W.; Peters, C.J.


    Gibbs-Duhem integration implies the numerical integration of a Clapeyron equation. To start the numerical integration, an initial coexistence point and a corresponding initial slope of the Clapeyron equation are needed. In order to apply Gibbs-Duhem integration to all kinds of systems at diverse

  8. A brief critique of the Adam-Gibbs entropy model

    DEFF Research Database (Denmark)

    Dyre, J. C.; Hecksher, Tina; Niss, Kristine


    This paper critically discusses the entropy model proposed by Adam and Gibbs in 1965 for the dramatic temperature dependence of glass-forming liquids' average relaxation time, which is one of the most influential models during the last four decades. We discuss the Adam-Gibbs model's theoretical...

  9. Por uma metafísica do sublime

    Directory of Open Access Journals (Sweden)

    Martha de Almeida


    Full Text Available The sublime has been analyzed since ancient times with a striking compared with tragedy, whether as a literary genre, whether through Poetics, Aristotle's catharsis we translate the feeling the sublime. In modernity, new names were coming to work with this theory: Hume himself, in his essay The Tragedy, was impressed by the ability of this art form has to produce such strong effects on the viewer. But who else has strengthened analysis of the sublime in modernity, providing the basis for their own Kant was Edmund Burke, with his piece A philosophical investigation on the ideas of the sublime and the beautiful. The third criticism of Kant devoted a special moment to the analysis of the sublime, which had served as basis also for Schopenhauer, however, from her built his own aesthetic that would be of paramount importance Nieztsche for the young, mainly due to the consideration of music as sublime art. Nietzsche, then built his tragic wisdom, with based on the experience of the sublime tragedy.The question this paper wants to treat it exactly: It is possible think of a metaphysics of the sublime, based on Nietzsche?

  10. The Religious-Sublime in Music, Literature and Architecture

    DEFF Research Database (Denmark)

    Cifuentes-Aldunate, Claudio


    their mechanisms with other modalities of sublimeness. The sublime will be regarded as the representation (in the sens of staging) of a perception. I will demonstrate how this subjective perception - in this case 'of the divinity' - is (re)constructed by the subject in a piece of Spanish Gothic literature...

  11. Conditions for Sublimating Water Ice to Supply Ceres' Exosphere (United States)

    Landis, M. E.; Byrne, S.; Schörghofer, N.; Schmidt, B. E.; Hayne, P. O.; Castillo-Rogez, J.; Sykes, M. V.; Combe, J.-P.; Ermakov, A. I.; Prettyman, T.; Raymond, C. A.; Russell, C. T.


    We explore the conditions for sublimating water ice on Ceres to explain the observed water vapor output from telescopic observations. We find that while a buried ice table cannot produce enough vapor via sublimation to explain the exosphere, exposed surface ice (given it is exposed at the right time during the Ceres day and year, and at the right location) can.

  12. Reassessing Aesthetic Appreciation of Nature in the Kantian Sublime (United States)

    Brady, Emily


    The sublime has been a relatively neglected topic in recent work in philosophical aesthetics, with existing discussions confined mainly to problems in Kant's theory. Given the revival of interest in his aesthetic theory and the influence of the Kantian sublime compared to other eighteenth-century accounts, this focus is not surprising. Kant's…

  13. Sublime science: Teaching for scientific sublime experiences in middle school classrooms (United States)

    Cavanaugh, Shane

    Due to a historical separation of cognition and emotion, the affective aspects of learning are often seen as trivial in comparison to the more 'essential' cognitive qualities - particularly in the domain of science. As a result of this disconnect, feelings of awe, wonder, and astonishment as well as appreciation have been largely ignored in the working lives of scientists. In turn, I believe that science education has not accurately portrayed the world of science to our students. In an effort to bring the affective qualities of science into the science classroom, I have drawn on past research in the field of aesthetic science teaching and learning as well as works by, Burke, Kant, and Dewey to explore a new construct I have called the "scientific sublime". Scientific sublime experiences represent a sophisticated treatment of the cognitive as well as affective qualities of science learning. The scientific sublime represents feelings of awe, wonder, and appreciation that come from a deep understanding. It is only through this understanding of a phenomenon that we can appreciate its true complexity and intricacies, and these understandings when mixed with the emotions of awe and reverence, are sublime. Scientific sublime experiences are an attempt at the re-integration of cognition and feeling. The goal of this research was twofold: to create and teach a curriculum that fosters scientific sublime experiences in middle school science classes, and to better understand how these experiences are manifested in students. In order to create an approach to teaching for scientific sublime experiences, it was first necessary for me to identify key characteristics of such an experience and a then to create a pedagogical approach, both of which are described in detail in the dissertation. This research was conducted as two studies in two different middle schools. My pedagogical approach was used to create and teach two five-week 7 th grade science units---one on weather

  14. A MultiScale Gibbs-Helmholtz Constrained Cubic Equation of State

    Directory of Open Access Journals (Sweden)

    Angelo Lucia


    Full Text Available This paper presents a radically new approach to cubic equations of state (EOS in which the Gibbs-Helmholtz equation is used to constrain the attraction or energy parameter, a. The resulting expressions for (, for pure components and (,, for mixtures contain internal energy departure functions and completely avoid the need to use empirical expressions like the Soave alpha function. Our approach also provides a novel and thermodynamically rigorous mixing rule for (,,. When the internal energy departure function is computed using Monte Carlo or molecular dynamics simulations as a function of current bulk phase conditions, the resulting EOS is a multiscale equation of state. The proposed new Gibbs-Helmholtz constrained (GHC cubic equation of state is used to predict liquid densities at high pressure and validated using experimental data from literature. Numerical results clearly show that the GHC EOS provides fast and accurate computation of liquid densities at high pressure, which are needed in the determination of gas hydrate equilibria.

  15. Psychoanalytic Interpretation of Blueberries by Susan Gibb

    Directory of Open Access Journals (Sweden)

    Maya Zalbidea Paniagua


    Full Text Available Blueberries (2009 by Susan Gibb, published in the ELO (Electronic Literature Organization, invites the reader to travel inside the protagonist’s mind to discover real and imaginary experiences examining notions of gender, sex, body and identity of a traumatised woman. This article explores the verbal and visual modes in this digital short fiction following semiotic patterns as well as interpreting the psychological states that are expressed through poetical and technological components. A comparative study of the consequences of trauma in the protagonist will be developed including psychoanalytic theories by Sigmund Freud, Jacques Lacan and the feminist psychoanalysts: Melanie Klein and Bracha Ettinger. The reactions of the protagonist will be studied: loss of reality, hallucinations and Electra Complex, as well as the rise of defence mechanisms and her use of the artistic creativity as a healing therapy. The interactivity of the hypermedia, multiple paths and endings will be analyzed as a literary strategy that increases the reader’s capacity of empathizing with the speaker.

  16. Frederic Andrews Gibbs and the assassination of John Fitzgerald Kennedy

    Directory of Open Access Journals (Sweden)

    Kalyan B Bhattacharyya


    Full Text Available Frederic Gibbs, the peerless expert on electroencephalogrphy was summoned to provide opinion on the EEG tracing of Jack Ruby, who murdered Lee Harvey Oswald, the assassin of John Fitzgerald Kennedy, the American President, in 1963. Gibbs pleaded that the tracing suggested features indicative of psychomotor epilepsy and Ruby killed Oswald in a state of fugue. His view was not agreed upon but Gibbs stood his ground unflinchingly. Subsequent appeals to the higher court spared Ruby from imminent execution and finally he died a natural death from metastatic complications of carcinoma of the lung in 1967.

  17. Sublimation of antimycotic agents as proved by various analytical methods. (United States)

    Jäckel, A; Schmelzer, C E H; Wartewig, S; Neubert, R H H


    Qualitative and quantitative results demonstrate that the pure substances amorolfine base, amorolfine hydrochloride, two selected morpholine derivatives and terbinafine hydrochloride are clearly able to sublimate. As amorolfine hydrochloride is also capable to sublimate from galencial forms laquer and cream in this experimental setup, a clinical relevance of sublimation phenomenon at least for topical treatment of onychomycosis has to be considered. This phenomenon could be one reason for advantageous clinical and mycological cure rates of amorolfine nail laquer to comparable topical products reported in the literature.

  18. Reflections on Gibbs: From Critical Phenomena to the Amistad (United States)

    Kadanoff, Leo P.


    J. Willard Gibbs, the younger was the first American theorist. He was one of the inventors of statistical physics. His introduction and development of the concepts of phase space, phase transitions, and thermodynamic surfaces was remarkably correct and elegant. These three concepts form the basis of different but related areas of physics. The connection among these areas has been a subject of deep reflection from Gibbs' time to our own. I shall talk about these connections by using concepts suggested by the work of Michael Berry and explicitly put forward by the philosopher Robert Batterman. This viewpoint relates theory-connection to the applied mathematics concepts of asymptotic analysis and singular perturbations. J. Willard Gibbs, the younger, had all his achievements concentrated in science. His father, also J. Willard Gibbs, also a Professor at Yale, had one great achievement that remains unmatched in our day. I shall describe it.

  19. Carbon-Sublimation Production of Fullerenes. (United States)

    Tinker, Frank Albert


    Carbon-sublimation production of fullerenes enjoys wide use in both experimental and industrial application worldwide. Although it has been nearly five years since the inception of the technique, little is known about the roles various parameters play in the production process. This work attempts to shed light, both experimentally and theoretically, on the basic processes at work in this type of fullerene production. Experimental results herein show that a functional relationship exists among the C_{60 }, C_{70}, C_{76}, C_ {78}, and C_{84} fullerenes produced in carbon arcs. This result is interpreted to mean that an equilibrium description of the production process may be valid. Theoretical calculations are then offered in support of such a view. The theory goes on to show details of an equilibrium description that reproduce essential features of fullerene mass-spectra. It is shown that equilibrium abundances of n-atom -sized clusters are highly dependent on the stoichiometric equation chosen to describe the system. However, common traits of the investigated equilibrium descriptions lead to useful conclusions.

  20. Sublimation in bright spots on (1) Ceres (United States)

    Nathues, A.; Hoffmann, M.; Schaefer, M.; Le Corre, L.; Reddy, V.; Platz, T.; Cloutis, E. A.; Christensen, U.; Kneissl, T.; Li, J.-Y.; Mengel, K.; Schmedemann, N.; Schaefer, T.; Russell, C. T.; Applin, D. M.; Buczkowski, D. L.; Izawa, M. R. M.; Keller, H. U.; O'Brien, D. P.; Pieters, C. M.; Raymond, C. A.; Ripken, J.; Schenk, P. M.; Schmidt, B. E.; Sierks, H.; Sykes, M. V.; Thangjam, G. S.; Vincent, J.-B.


    The dwarf planet (1) Ceres, the largest object in the main asteroid belt with a mean diameter of about 950 kilometres, is located at a mean distance from the Sun of about 2.8 astronomical units (one astronomical unit is the Earth-Sun distance). Thermal evolution models suggest that it is a differentiated body with potential geological activity. Unlike on the icy satellites of Jupiter and Saturn, where tidal forces are responsible for spewing briny water into space, no tidal forces are acting on Ceres. In the absence of such forces, most objects in the main asteroid belt are expected to be geologically inert. The recent discovery of water vapour absorption near Ceres and previous detection of bound water and OH near and on Ceres (refs 5, 6, 7) have raised interest in the possible presence of surface ice. Here we report the presence of localized bright areas on Ceres from an orbiting imager. These unusual areas are consistent with hydrated magnesium sulfates mixed with dark background material, although other compositions are possible. Of particular interest is a bright pit on the floor of crater Occator that exhibits probable sublimation of water ice, producing haze clouds inside the crater that appear and disappear with a diurnal rhythm. Slow-moving condensed-ice or dust particles may explain this haze. We conclude that Ceres must have accreted material from beyond the ‘snow line’, which is the distance from the Sun at which water molecules condense.


    Energy Technology Data Exchange (ETDEWEB)

    Pozuelos, F. J.; Moreno, F. [Instituto de Astrofísica de Andalucía, CSIC, Glorieta de la Astronomía s/n, E-18008 Granada (Spain); Cabrera-Lavers, A.; Licandro, J., E-mail: [Instituto de Astrofísica de Canarias, c/Vía Láctea s/n, E-38200 La Laguna, Tenerife (Spain)


    We present observations carried out using the 10.4 m Gran Telescopio Canarias and an interpretative model of the dust environment of activated asteroid 313 P/Gibbs. We discuss three different models relating to different values of the dust parameters, i.e., dust loss rate, maximum and minimum sizes of particles, power index of the size distribution, and emission pattern. The best model corresponds to an isotropic emission of particles which started on August 1. The sizes of grains were in the range of 0.1−2000 μm, with velocities for 100 μm particles between 0.4−1.9 m s{sup −1}, with a dust production rate in the range of 0.2−0.8 kg s{sup −1}. The dust tails’ brightnesses and morphologies are best interpreted in terms of a model of sustained and low dust emission driven by water-ice sublimation, spanning since 2014 August 1, and triggered by a short impulsive event. This event produced an emission of small particles of about 0.1 μm with velocities of ∼4 m s{sup −1}. From our model we deduce that the activity of this main-belt comet continued for at least four months since activation.

  2. P/2008 CL94 (Lemmon) and P/2011 S1 (Gibbs): comet-like activity at large heliocentric distances (United States)

    Kulyk, I.; Korsun, P.; Rousselot, P.; Afanasiev, V.; Ivanova, O.


    Based on spectroscopic and photometric observations we analyzed the dust environment of two minor distant objects, P/2008 CL94 (Lemmon) and P/2011 S1 (Gibbs). Both targets demonstrated the comet-like activity beyond the "zone of water-ice sublimation". Meanwhile the spectrum of P/2008 CL94 (Lemmon) did not reveal molecular emission features above reflected continuum in a spectral region of 4100-6800Å. Reddening of the continuum is linear along the dispersion with the mean normalized reflectivity gradient equals to 2.0% ± 0.4%. The normalized reflectivity of P/2011 S1 (Gibbs) derived from the V-R and R-I color indices equals 11% ± 9% and 26% ± 6% respectively. Both objects have likely small nuclei (about 2 and 4 km in the radii for P/2008 CL94 and P/2011 S1 respectively), which are consistent with nucleus sizes of 'Jupiter-family' comets. The level of physical activity of P/2008 CL94 and S/2011 S1 is characterized by R-Afρ quantity of 106 ± 3 cm and 76 ± 8 cm respectively. The Afρ values are resulted in dust production rates of about 1-2 kg/s, assuming the average geometric albedo of grains of 0.1 and the dust outflow velocities between 1 and 10 m/s.

  3. Sublimity and beauty: A view from nursing aesthetics. (United States)

    Siles-González, José; Solano-Ruiz, Carmen


    Several authors have focused on the aesthetics of nursing care from diverse perspectives; however, there are few studies about the sublime and the beautiful in nursing. To identify beautiful and sublime moments in the context of the aesthetics of nursing care. A theoretical reflection has been contemplated about sublime and beautiful values in the context of the aesthetics of nursing care from the cultural history perspective. For that purpose, a revision of this issue has been completed. The terms 'beautiful' and 'sublime' have been analysed to identify the characteristics of both in the context of nursing care. We have followed all ethical requirements regarding the sources, conducting research and authorship. There is no conflict of interest in this paper. With aesthetic knowledge, the nurse expresses the artistic nature of nursing care by appreciating the act of caring for individuals. The sublime is a complex phenomenon, since apparently contrary feelings are interwoven. Nursing care is an art with an anthropological object-subject on which the 'artist' applies their prior knowledge and skills. Feelings and emotions that develop during the clinical nursing practice - especially at times sublime and beautiful, aesthetic - constitute experiences which are professionally significant. © The Author(s) 2015.

  4. O Sublime explicado às crianças

    Directory of Open Access Journals (Sweden)

    Virginia Figueiredo


    Full Text Available Como o próprio título indica, este ensaio pretende dialogar com a recepção do sublime kantiano pela filosofia francesa contemporânea, sobretudo com Jean-François Lyotard. Dessa forma, ao invés de ressaltar as consequências inevitável ou sistematicamente morais do sublime kantiano, como fez, de um modo geral, o comentário mais tradicional da filosofia crítica de Kant, este ensaio tenta interpretar o sublime como sendo essencialmente uma experiência da arte, seguindo assim de perto aquela tradição francesa. Mas, ao mesmo tempo, tomando alguma distância, este texto quer fazer uma objeção ao fundamento exclusivamente burkiano da concepção de sublime de Lyotard. Em suma, quero defender que é possível privilegiar o tempo (aspecto central do sublime de Edmund Burke, segundo Lyotard também na experiência do sublime kantiano.

  5. O paradoxo sublime ou a alforria da arte

    Directory of Open Access Journals (Sweden)

    Virgínia Figueiredo


    Full Text Available Neste texto, pretendo analisar a tese principal do ensaio “A verdade sublime” de Philippe Lacoue-Labarthe, a qual poderia ser formulada do seguinte modo: a verdade sublime é o Ereignis, esse é o fundamento a partir do qual se desenvolveu uma dificílima operação que consistiu em modificar a tradição do sublime sempre apresentado negativamente naquilo que Lacoue-Labarthe chamou de "compreensão afirmativa do sublime ou da grande arte". O autor estabelece uma astuciosa aliança entre o que há de mais radical no pensamento de Heidegger e o sublime, tratado de maneira bastante polêmica, como a principal teoria da arte de Kant. Dessa articulação fundamental, pode-se concluir que ele não está apenas à procura de uma “Estética” (sequer de uma “Teoria da Arte” sublime, mas, em busca de algo que é muito mais ambicioso, a saber: de um pensamento do sublime. Portanto, na minha opinião, o ensaio lacouelabarthiano constitui, por um lado, uma referência indispensável não só a quem quer que pretenda estudar a tradição do sublime, mas, por outro, compreender o pensamento heideggeriano sobre a arte e sua tentativa de encontrar uma determinação mais essencial e, sobretudo, ousaria dizer, mais política da arte.

  6. Characterization of Sulfur and Nanostructured Sulfur Battery Cathodes in Electron Microscopy Without Sublimation Artifacts

    Energy Technology Data Exchange (ETDEWEB)

    Levin, Barnaby D. A.; Zachman, Michael J.; Werner, Jörg G.; Sahore, Ritu; Nguyen, Kayla X.; Han, Yimo; Xie, Baoquan; Ma, Lin; Archer, Lynden A.; Giannelis, Emmanuel P.; Wiesner, Ulrich; Kourkoutis, Lena F.; Muller, David A.



    Lithium sulfur (Li–S) batteries have the potential to provide higher energy storage density at lower cost than conventional lithium ion batteries. A key challenge for Li–S batteries is the loss of sulfur to the electrolyte during cycling. This loss can be mitigated by sequestering the sulfur in nanostructured carbon–sulfur composites. The nanoscale characterization of the sulfur distribution within these complex nanostructured electrodes is normally performed by electron microscopy, but sulfur sublimates and redistributes in the high-vacuum conditions of conventional electron microscopes. The resulting sublimation artifacts render characterization of sulfur in conventional electron microscopes problematic and unreliable. Here, we demonstrate two techniques, cryogenic transmission electron microscopy (cryo-TEM) and scanning electron microscopy in air (airSEM), that enable the reliable characterization of sulfur across multiple length scales by suppressing sulfur sublimation. We use cryo-TEM and airSEM to examine carbon–sulfur composites synthesized for use as Li–S battery cathodes, noting several cases where the commonly employed sulfur melt infusion method is highly inefficient at infiltrating sulfur into porous carbon hosts.

  7. Characterization of Sulfur and Nanostructured Sulfur Battery Cathodes in Electron Microscopy Without Sublimation Artifacts. (United States)

    Levin, Barnaby D A; Zachman, Michael J; Werner, Jörg G; Sahore, Ritu; Nguyen, Kayla X; Han, Yimo; Xie, Baoquan; Ma, Lin; Archer, Lynden A; Giannelis, Emmanuel P; Wiesner, Ulrich; Kourkoutis, Lena F; Muller, David A


    Lithium sulfur (Li-S) batteries have the potential to provide higher energy storage density at lower cost than conventional lithium ion batteries. A key challenge for Li-S batteries is the loss of sulfur to the electrolyte during cycling. This loss can be mitigated by sequestering the sulfur in nanostructured carbon-sulfur composites. The nanoscale characterization of the sulfur distribution within these complex nanostructured electrodes is normally performed by electron microscopy, but sulfur sublimates and redistributes in the high-vacuum conditions of conventional electron microscopes. The resulting sublimation artifacts render characterization of sulfur in conventional electron microscopes problematic and unreliable. Here, we demonstrate two techniques, cryogenic transmission electron microscopy (cryo-TEM) and scanning electron microscopy in air (airSEM), that enable the reliable characterization of sulfur across multiple length scales by suppressing sulfur sublimation. We use cryo-TEM and airSEM to examine carbon-sulfur composites synthesized for use as Li-S battery cathodes, noting several cases where the commonly employed sulfur melt infusion method is highly inefficient at infiltrating sulfur into porous carbon hosts.


    Directory of Open Access Journals (Sweden)

    R. A. Barykin


    Full Text Available Summary. The main directions of use of freeze-dryed products and ingredients are revealed. The analysis of sales markets of freeze-dryed products is provided. It is shown that introduction of innovative production technologies will allow to develop dynamically not only to the large companies, but also small firms that will create prerequisites for growth of the Russian market of freeze-dryed products. Tendencies of development of the freeze-drying equipment are analysed. Relevance of development of energy saving freeze-dryers is proved The integrated approach to creation of competitive domestic technologies and the equipment for sublimation dehydration of thermolabile products consists in use of the effective combined remedies of a power supply, a process intensification, reduction of specific energy consumption and, as a result, decrease in product cost at achievement of high quality indicators. Advantages of thermoelectric modules as alternative direction to existing vapor-compression and absorbing refrigerating appliances are given. Researches of process of freeze-drying dehydration with use of thermoelectric modules are conducted. It is scientifically confirmed, that the thermoelectric module working at Peltier effect, promotes increase in refrigerating capacity due to use of the principle of the thermal pump. Options of use of thermoelectric modules in designs of dryers are offered. Optimum operating modes and number of modules in section are defined. Ways of increase of power efficiency of freeze-dryers with use of thermoelectric modules are specified. The received results will allow to make engineering calculations and design of progressive freeze-drying installations with various ways of a power supply.

  9. Por uma metafí­sica do sublime


    Almeida, Martha de


     O sublime vem sendo analisado desde a antiguidade com uma marcante relaçáo com a tragédia, seja como gênero literário, seja por meio da Poética, de Aristóteles que nos traduz pela catarse o sentimento do sublime. Na modernidade, novos nomes foram chegando para colaborar com esta teoria: o próprio Hume, em seu ensaio Da tragédia, mostrou-se impressionado com a capacidade que esta forma de arte tem de produzir efeitos táo intensos no espectador. Porém, quem mais fortaleceu a análise do sublime...

  10. Sublimation rates of explosive materials : method development and initial results.

    Energy Technology Data Exchange (ETDEWEB)

    Phelan, James M.; Patton, Robert Thomas


    Vapor detection of explosives continues to be a technological basis for security applications. This study began experimental work to measure the chemical emanation rates of pure explosive materials as a basis for determining emanation rates of security threats containing explosives. Sublimation rates for TNT were determined with thermo gravimetric analysis using two different techniques. Data were compared with other literature values to provide sublimation rates from 25 to 70 C. The enthalpy of sublimation for the combined data was found to be 115 kJ/mol, which corresponds well with previously reported data from vapor pressure determinations. A simple Gaussian atmospheric dispersion model was used to estimate downrange concentrations based on continuous, steady-state conditions at 20, 45 and 62 C for a nominal exposed block of TNT under low wind conditions. Recommendations are made for extension of the experimental vapor emanation rate determinations and development of turbulent flow computational fluid dynamics based atmospheric dispersion estimates of standoff vapor concentrations.

  11. Micro-computed tomography observation of sublimation interface and image analysis on sublimation process during freeze-drying. (United States)

    Xiao, Xin; Tao, Le-Ren; Hua, Tse-Chao


    The freeze-drying process is complicated with complex heat and mass transfer during sublimation. The sublimation interface of freeze-drying has become more attractive and meaningful recently. In this study, apple slices undergoing sublimation were scanned by a Micro-CT scanner. The cross-sectional images were reconstructed with those scanning images respectively. The technique of grey value analysis was used to recognize the procedure. The results showed that, from direct scanning images and 2-D reconstructed images, a 3-D moving mode of sublimation interface which contracted to the centre of the sample could be seen, sublimation process proceeded from edge to center gradually. The grey value of ice crystals was determined to be 154 through gauss calculation. By comparing frozen sample with freeze-dried one, the ice crystals regions in the beginning became the porous regions after drying, grey values increased correspondingly. Samples shrunk slightly after drying for 3 to 7 hours, which could be distinguished by the change in grey values.

  12. The experimental investigations of peculiarities of metalorganic compounds sublimation

    Directory of Open Access Journals (Sweden)

    Bochkareva Elena


    Full Text Available The paper presents the results of experimental investigations of convective heat and mass transfer by sublimation of a single particle of metallorganic compounds mixture in an argon flow. The gas temperature is 180-290 ºС, the flow velocity is up to 2 m/s. The influence of the Zr(dpm4 and Y(dpm3 proportions on the characteristics of the transport processes was considered. An increase in the fraction of the more fusible component reduces the temperature of the particle during the sublimation process.

  13. Of images and ills. Uses and malaises of sublimation

    Directory of Open Access Journals (Sweden)

    Georges Didi-Huberman


    Full Text Available This text is published as postface to the new edition of Invention de l'hystérie. Charcot et l’iconographie photographique de l’hystérie (Macula, Paris, 2012, pp. 364-405 with the title Des images et des maux. It’s also the full version of the lecture organized by the Association Psychanalytique de France (September 24, 2011, entitled L’Usage de la sublimation. Starting from some considerations on his first book, the Author examines limits and potentials of the notion of sublimation in reference with art and artistic creation, and suggests a different way to approach it.

  14. Determination of stepwise stabilty constants and Gibb's free energy ...

    African Journals Online (AJOL)

    The overall stability constants of manganese (II), iron (II), cobalt (II), nickel (II), copper (II), and zinc (II) complexes with proline were determined by potentiometric titration of sodium prolinate with the corresponding salt of the divalent metal in aqueous media. The values of the constants (Logâ) were found to be 19.45, 19.23, ...

  15. A logistic regression estimating function for spatial Gibbs point processes

    DEFF Research Database (Denmark)

    Baddeley, Adrian; Coeurjolly, Jean-François; Rubak, Ege

    We propose a computationally efficient logistic regression estimating function for spatial Gibbs point processes. The sample points for the logistic regression consist of the observed point pattern together with a random pattern of dummy points. The estimating function is closely related...

  16. Exploring Fourier Series and Gibbs Phenomenon Using Mathematica (United States)

    Ghosh, Jonaki B.


    This article describes a laboratory module on Fourier series and Gibbs phenomenon which was undertaken by 32 Year 12 students. It shows how the use of CAS played the role of an "amplifier" by making higher level mathematical concepts accessible to students of year 12. Using Mathematica students were able to visualise Fourier series of…

  17. Analysis of polarized CMB power spectra using Gibbs Sampling. (United States)

    Karki, Saket; Bunn, Emory


    The search for increasingly efficient techniques to produce pure E and B maps from polarization data with incomplete sky coverage has led to a general understanding of pure maps as Wiener-filtered polarization data. This framework can be further extended to Gibbs Sampling by using it as a technique to estimate the pure E and B mode spectra. As Gibbs sampling circumvents actual modes decomposition, it offers a potentially computationally less expensive method than traditional likelihood evaluation based methods. More importantly, Gibbs sampling addresses the problem of E mode contamination on B modes at high angular scales more naturally. A Wiener-filtered B map contains the least possible cross-contamination from the E component. We thus expect the B-mode spectra estimated using Gibbs sampling to be more accurate. We investigate the computational efficiency and accuracy of this method on large data sets. We also investigate if the estimated power spectrum is precise enough to be of practical use on real data in the future.

  18. An advanced Gibbs-Duhem integration method : Theory and applications

    NARCIS (Netherlands)

    Van 't Hof, A.; Peters, C.J.; De Leeuw, S.W.


    The conventional Gibbs-Duhem integration method is very convenient for the prediction of phase equilibria of both pure components and mixtures. However, it turns out to be inefficient. The method requires a number of lengthy simulations to predict the state conditions at which phase coexistence

  19. Acetamidobenzoic acid isomers: Studying sublimation and fusion processes and their relation with crystal structures

    Energy Technology Data Exchange (ETDEWEB)

    Manin, Alex N.; Voronin, Alexander P.; Perlovich, German L., E-mail:


    Graphical abstract: - Highlights: • Thermodynamic characteristics of sublimation process were investigated for 2-, 3- and 4-acetamidobenzoic acids. • Thermophysic parameters of melting processes were determined and enthalpies of vaporization were calculated for the isomers. • Sublimation thermodynamic parameters were compared with crystal structures of the isomers. - Abstract: Temperature dependencies of saturated vapor pressure for i-acetamidobenzoic acids (i = 2, 3 and 4) were obtained by flow inert gas-carrier transfer method. Thermodynamic parameters of sublimation were calculated for 2-acetamidobenzoic acid (2-AcAm-BA), 3-acetamidobenzoic acid (3-AcAm-BA) and 4-acetamidobenzoic acid (4-AcAm-BA) (2-AcAm-BA: ΔG{sub sub}{sup 298}=54.4 kJ mol{sup −1}; ΔH{sub sub}{sup 298}=116±1 kJ mol{sup −1}; ΔS{sub sub}{sup 298}=205±4 J K{sup −1} mol{sup −1}; 3-AcAm-BA: ΔG{sub sub}{sup 298}=73.2 kJ mol{sup −1}; ΔH{sub sub}{sup 298}=137±1 kJ mol{sup −1}; ΔS{sub sub}{sup 298}=215±4 J K{sup −1} mol{sup −1}; 4-AcAm-BA: ΔG{sub sub}{sup 298}=72.3 kJ mol{sup −1}; ΔH{sub sub}{sup 298}=138±1 kJ mol{sup −1}; ΔS{sub sub}{sup 298}=221±8 J K{sup −1} mol{sup −1}). Thermochemical parameters of fusion process for investigated substances were obtained, and vaporization enthalpies were estimated from fusion and sublimation enthalpies. The thermal data obtained in all experiments were used to find relationships between the thermal properties of these compounds and other benzoic acid derivatives and their structural properties. A correlation between enthalpy of sublimation and melting point was obtained. The influence of size and position of substituents on crystal lattice energy was discussed.

  20. Oxidation and sublimation of porous graphite during fiber laser irradiation (United States)

    Phillips, Grady T.; Bauer, William A.; Gonzales, Ashley E.; Herr, Nicholas C.; Perram, Glen P.


    Porous graphite plates, cylinders and cones with densities of 1.55-1.82 g/cm3 were irradiated by a 10 kW fiber laser at 0.075 -3.525 kW/cm2 for 120 s to study mass removal and crater formation. Surface temperatures reached steady state values as high as 3767 K. The total decrease in sample mass ranged from 0.06 to 6.29 g, with crater volumes of 0.52 - 838 mm3, and penetration times for 12.7 mm thick plates as short as 38 s. Minor contaminants in the graphite samples produced calcium and iron oxide to be re-deposited on the graphite surface. Significantly increased porosity of the sample is observed even outside of the laser-irradiated region. Total mass removed increases with deposited laser energy at a rate of 4.83 g/MJ for medium extruded graphite with an apparent threshold of 0.15 MJ. Visible emission spectroscopy reveals C2 Swan and CN red, CN violet bands and Li, Na, and K 2P3/2,1/2 - 2S1/2 doublets. The reacting boundary layer is observed using a mid-wave imaging Fourier transform spectrometer (IFTS) at 2 cm-1 spectral resolution, 0.5 mm/pixel spatial resolution, and 0.75 Hz data cube rate. A two-layer radiative transfer model was used to determine plume temperature, CO, and CO2 concentrations from spectral signatures. The new understanding of graphite combustion and sublimation during laser irradiation is vital to the more complex behavior of carbon composites.

  1. Some remarks on nonlinear oscillators: period, action, semiclassical quantization and Gibbs ensembles

    Energy Technology Data Exchange (ETDEWEB)

    Mamode, Malik, E-mail: Malik.Mamode@univ-reunion.f [Department of Physics, Laboratoire PIMENT/Equipe MASC, University of La Reunion (France)


    This paper deals with the calculation of the period and action integral of second-order autonomous nonlinear oscillators. We show that the Laplace transform of these energy-dependent quantities can be simply expressed as a function of the potential function which makes it possible to obtain a number of new results in an analytical closed-form. In addition to their computational interest, these results allow us to revisit the characterization and properties of classical isoperiodic and isochronous potentials. Applications in quantum mechanics for the semiclassical Einstein-Brillouin-Keller quantization and in statistical mechanics for Gibbs ensembles of nonlinear oscillators are also proposed.

  2. Vapor transport and sublimation on Mullins Glacier, Antarctica (United States)

    Lamp, J. L.; Marchant, D. R.


    We utilize an environmental chamber capable of recreating the extreme polar conditions of the McMurdo Dry Valleys (MDV) of Antarctica to investigate the sublimation rate of the Mullins Valley debris-covered glacier (hereafter Mullins Glacier), reportedly one of the oldest debris-covered alpine glaciers in the world. We measure ice loss via sublimation beneath sediment thicknesses ranging from 0 to 69 mm; from this, we determine an effective diffusivity for Fickian vapor transport through Mullins till of (5.2 ± 0.3) ×10-6 m2s-1 at -10 °C. We use this value, coupled with micrometeorological data from Mullins Valley (atmospheric temperature, relative humidity, and soil temperature) to model the sublimation rate of buried glacier ice near the terminus of Mullins Glacier, where the overlying till thickness approaches 70 cm. We find that the ice-lowering rate during the modeled year (2011) was 0.066 mm under 70 cm of till, a value which is in line with previous estimates for exceedingly slow rates of ice sublimation. These results provide further evidence supporting the probable antiquity of Mullins Glacier ice and overall landscape stability in upland regions of the MDV.

  3. Some attributes of snow occurrence and snowmelt/sublimation rates ...

    African Journals Online (AJOL)

    We present attributes of snow occurrence and dissipation rates (melt and sublimation) for the Lesotho Highlands, based on remotely-sensed MODIS images from 2003–2016. Multi-temporal imagery is used, with SNOMAP and NDSI algorithms applied to MODIS Rapid Response images. The spatial extent of snow loss was ...

  4. Sublimation-Induced Shape Evolution of Silver Cubes

    KAUST Repository

    Ding, Yong


    The heat is on: Surface sublimation and shape transformation of silver cubes, enclosed by {100} surfaces and about 100nm in size, are examined by in situ transmission electron microscopy (see picture). High-index surfaces, such as {110}, of face-centered cubic metals are more stable when the temperature is close to the melting point.

  5. Modular Porous Plate Sublimator /MPPS/ requires only water supply for coolant (United States)

    Rathbun, R. J.


    Modular porous plate sublimators, provided for each location where heat must be dissipated, conserve the battery power of a space vehicle by eliminating the coolant pump. The sublimator requires only a water supply for coolant.

  6. Sublimation of amino acids with enantiomeric excess amplification (United States)

    Guillemin, Jean-Claude; Guillemin, Jean-Claude; Bellec, Aurelien

    The notion of chirality was first reported in 1848 by Pasteur, when he mechanically separated the two enantiomers of tartrate salts.[1] Amino acids are considered as the most important building blocks of life with sugars. On the Earth, the living systems are only composed of L- amino acids and D-sugars. Nowadays, the origin of homochirality on Earth is still unknown, and there are many theories trying to explain this phenomenon. Recently Cooks [2] and Feringa [3] reported that the sublimation of small amounts of L and D amino acid mixtures containing an excess of one of them leads to a huge enantiomeric excess (ee) enhancement of the sublimate. We reinvestigated these experiments to determine the rules leading to this enhancement. Starting from mixtures of L- and DL leucine we observed increasing and decreasing of the ee in function of the starting ratios. By the use of 13C derivatives, the origin of the sublimed enantiomers has been precised. Various parameters (L and D, or L and DL mixtures, dissolution in water before sublimation, . . . ) were studied. We also took into consideration the recently proposed hypothesis of the role played by the eutectic ee in the sublimation. [4] The application of these results to find an explanation of the enantiomeric excess in meteorites or in the Primitive Earth scenarios will be discussed. 1 Pasteur, L. Ann. Phys., 1848, 24, 442. 2 R. H. Perry, C. Wu, M. Nefliu, R. G. Cooks, Chem. Commun., 2007, 1071-1073. 3 S. P. Fletcher, R. B. C. Jagt, B. L. Feringa, Chem. Commun., 2007, 2578-2580. 4 D. G. Blackmond, M. Klussmannb Chem. Commun., 2007, 3990-3996.

  7. Accuracy of Parameter Estimation in Gibbs Sampling under the Two-Parameter Logistic Model. (United States)

    Kim, Seock-Ho; Cohen, Allan S.

    The accuracy of Gibbs sampling, a Markov chain Monte Carlo procedure, was considered for estimation of item and ability parameters under the two-parameter logistic model. Memory test data were analyzed to illustrate the Gibbs sampling procedure. Simulated data sets were analyzed using Gibbs sampling and the marginal Bayesian method. The marginal…

  8. GibbsCluster: unsupervised clustering and alignment of peptide sequences

    DEFF Research Database (Denmark)

    Andreatta, Massimo; Alvarez, Bruno; Nielsen, Morten


    Receptor interactions with short linear peptide fragments (ligands) are at the base of many biological signaling processes. Conserved and information-rich amino acid patterns, commonly called sequence motifs, shape and regulate these interactions. Because of the properties of a receptor......-ligand system or of the assay used to interrogate it, experimental data often contain multiple sequence motifs. GibbsCluster is a powerful tool for unsupervised motif discovery because it can simultaneously cluster and align peptide data. The GibbsCluster 2.0 presented here is an improved version incorporating...... insertion and deletions accounting for variations in motif length in the peptide input. In basic terms, the program takes as input a set of peptide sequences and clusters them into meaningful groups. It returns the optimal number of clusters it identified, together with the sequence alignment and sequence...

  9. Gibbs measures relative to Brownian motion and Nelson's model


    Betz, Volker


    Nelson's model describes a quantum mechanical particle interacting with its own bosonic field. Usually the Fock space is used in order to describe the field, but it was noticed already in 1964 by E. Nelson that the field may be alternatively described by an infinite dimensional Ornstein-Uhlenbeck process. For the free field, this point of view was extremely successful. The case where a coupling is present is more involved and leads to the theory of Gibbs measures relative to Brownian motion. ...

  10. Gibbs Ensemble Simulations of the Solvent Swelling of Polymer Films (United States)

    Gartner, Thomas; Epps, Thomas, III; Jayaraman, Arthi

    Solvent vapor annealing (SVA) is a useful technique to tune the morphology of block polymer, polymer blend, and polymer nanocomposite films. Despite SVA's utility, standardized SVA protocols have not been established, partly due to a lack of fundamental knowledge regarding the interplay between the polymer(s), solvent, substrate, and free-surface during solvent annealing and evaporation. An understanding of how to tune polymer film properties in a controllable manner through SVA processes is needed. Herein, the thermodynamic implications of the presence of solvent in the swollen polymer film is explored through two alternative Gibbs ensemble simulation methods that we have developed and extended: Gibbs ensemble molecular dynamics (GEMD) and hybrid Monte Carlo (MC)/molecular dynamics (MD). In this poster, we will describe these simulation methods and demonstrate their application to polystyrene films swollen by toluene and n-hexane. Polymer film swelling experiments, Gibbs ensemble molecular simulations, and polymer reference interaction site model (PRISM) theory are combined to calculate an effective Flory-Huggins χ (χeff) for polymer-solvent mixtures. The effects of solvent chemistry, solvent content, polymer molecular weight, and polymer architecture on χeff are examined, providing a platform to control and understand the thermodynamics of polymer film swelling.

  11. Physical properties of sublimated zinc telluride thin films for solar cell applications

    Energy Technology Data Exchange (ETDEWEB)

    Shah, Nazar Abbas, E-mail:; Mahmood, Waqar


    Zinc telluride (ZnTe) thin films were fabricated by using closed space sublimation (CSS) technique on glass substrate under vacuum. Pre-fabricated ZnTe thin films were doped with silver (Ag) by ion exchange method. X-ray diffraction showed the preferred orientation (111) of ZnTe thin film with polycrystalline behavior. Scanning electron microscope images were taken to estimate the grain boundaries; energy dispersive X-ray results confirmed the Ag composition in doped-ZnTe samples. Electrical measurements were performed to determine the resistivity, mobility and carrier concentrations of un-doped thin films and Ag-doped samples. The electrical resistivity was of the order of 10{sup 6} Ω-cm before doping. Ag-doped ZnTe samples exhibits low resistivity of the order of 10{sup 3} Ω-cm along with a change in the carrier concentrations and mobility as well at room temperature. The angle resolved optical transmission data, taken by spectrophotometer, was used to find the optical properties before and after Ag doping. Energy band gap showed decreasing trend with increasing Ag doping time. - Highlights: • Zinc telluride thin films were grown by closed space sublimation technique. • Ag was doped, by ion exchange process. • Physical properties were investigated before and after doping.

  12. Effects of varying obliquity on Martian sublimation thermokarst landforms (United States)

    Dundas, Colin M.


    Scalloped depressions in the Martian mid-latitudes are likely formed by sublimation of ice-rich ground. The stability of subsurface ice changes with the planetary obliquity, generally becoming less stable at lower axial tilt. As a result, the relative rates of sublimation and creep change over time. A landscape evolution model shows that these variations produce internal structure in scalloped depressions, commonly in the form of arcuate ridges, which emerge as depressions resume growth after pausing or slowing. In other scenarios, the formation of internal structure is minimal. Significant uncertainties in past climate and model parameters permit a range of scenarios. Ridges observed in some Martian scalloped depressions could date from obliquity lows or periods of low ice stability occurring <5 Ma, suggesting that the pits are young features and may be actively evolving.

  13. Sublimator Driven Coldplate Engineering Development Unit Test Results (United States)

    Sheth, Rubik B.; Stephan, Ryan A.; Leimkuehler, Thomas O.


    The Sublimator Driven Coldplate (SDC) is a unique piece of thermal control hardware that has several advantages over a traditional thermal control scheme. The principal advantage is the possible elimination of a pumped fluid loop, potentially increasing reliability and reducing complexity while saving both mass and power. Because the SDC requires a consumable feedwater, it can only be used for short mission durations. Additionally, the SDC is ideal for a vehicle with small transport distances and low heat rejection requirements. An SDC Engineering Development Unit was designed and fabricated. Performance tests were performed in a vacuum chamber to quantify and assess the performance of the SDC. The test data was then used to develop correlated thermal math models. Nonetheless, an Integrated Sublimator Driven Coldplate (ISDC) concept is being developed. The ISDC couples a coolant loop with the previously described SDC hardware. This combination allows the SDC to be used as a traditional coldplate during long mission phases and provides for dissimilar system redundancy

  14. Surface engineering of SiC via sublimation etching

    Energy Technology Data Exchange (ETDEWEB)

    Jokubavicius, Valdas, E-mail: [Department of Physics, Chemistry and Biology, Linköping University, 581 83 Linköping (Sweden); Yazdi, Gholam R.; Ivanov, Ivan G. [Department of Physics, Chemistry and Biology, Linköping University, 581 83 Linköping (Sweden); Niu, Yuran; Zakharov, Alexei [Max Lab, Lund University, S-22100 Lund (Sweden); Iakimov, Tihomir; Syväjärvi, Mikael; Yakimova, Rositsa [Department of Physics, Chemistry and Biology, Linköping University, 581 83 Linköping (Sweden)


    Highlights: • Comparison of 6H-, 4H- and 3C-SiC sublimation etching. • Effects of Si-C and Si-C-Ta chemical systems on etching mechanisms. • Effect of etching ambient on surface reconstruction. • Application of etched 4H-SiC surface for the growth of graphene nanoribbons is illustrated. - Abstract: We present a technique for etching of SiC which is based on sublimation and can be used to modify the morphology and reconstruction of silicon carbide surface for subsequent epitaxial growth of various materials, for example graphene. The sublimation etching of 6H-, 4H- and 3C-SiC was explored in vacuum (10{sup −5} mbar) and Ar (700 mbar) ambient using two different etching arrangements which can be considered as Si-C and Si-C-Ta chemical systems exhibiting different vapor phase stoichiometry at a given temperature. The surfaces of different polytypes etched under similar conditions are compared and the etching mechanism is discussed with an emphasis on the role of tantalum as a carbon getter. To demonstrate applicability of such etching process graphene nanoribbons were grown on a 4H-SiC surface that was pre-patterned using the thermal etching technique presented in this study.

  15. El Silencio de la Sirena: lo Sublime en Alejandra Pizarnik

    Directory of Open Access Journals (Sweden)

    Julieta Lerman


    Full Text Available Algunas poéticas de las décadas del cincuenta y del sesenta parecerían constituirse en torno a un vacío, un silencio que a veces inspira la palabra poética y otras veces la aborta. Esa ambigüedad, característica de la poética de Alejandra Pizarnik, podemos entenderla como una “reedición” de la estética de lo sublime. Lo sublime es un concepto estético-filosófico que plantearon filósofos como Inmanuel Kant y Edmund Burke para pensar el arte romántico y, en el siglo XX, otros autores como Jean-François Lyotard, lo retomaron para analizar el arte de vanguardia. Así, lo sublime nos permite repensar la poética de Pizarnik en sus coincidencias y oposiciones a otras de la tradición moderna (como la de Charles Baudelaire o de las vanguardias latinoamericanas (como Oliverio Girondo y Vicente Huidobro.

  16. El Silencio de la Sirena: lo Sublime en Alejandra Pizarnik

    Directory of Open Access Journals (Sweden)

    Julieta Lerman


    Full Text Available Algunas poéticas de las décadas del cincuenta y del sesenta parecerían constituirse en torno a un vacío, un silencio que a veces inspira la palabra poética y otras veces la aborta. Esa ambigüedad, característica de la poética de Alejandra Pizarnik, podemos entenderla como una “reedición” de la estética de lo sublime. Lo sublime es un concepto estético-filosófico que plantearon filósofos como Inmanuel Kant y Edmund Burke para pensar el arte romántico y, en el siglo XX, otros autores como Jean-François Lyotard, lo retomaron para analizar el arte de vanguardia. Así, lo sublime nos permite repensar la poética de Pizarnik en sus coincidencias y oposiciones a otras de la tradición moderna (como la de Charles Baudelaire o de las vanguardias latinoamericanas (como Oliverio Girondo y Vicente Huidobro.

  17. Work extraction in an isolated quantum lattice system: Grand canonical and generalized Gibbs ensemble predictions. (United States)

    Modak, Ranjan; Rigol, Marcos


    We study work extraction (defined as the difference between the initial and the final energy) in noninteracting and (effectively) weakly interacting isolated fermionic quantum lattice systems in one dimension, which undergo a sequence of quenches and equilibration. The systems are divided in two parts, which we identify as the subsystem of interest and the bath. We extract work by quenching the on-site potentials in the subsystem, letting the entire system equilibrate, and returning to the initial parameters in the subsystem using a quasistatic process (the bath is never acted upon). We select initial states that are direct products of thermal states of the subsystem and the bath, and consider equilibration to the generalized Gibbs ensemble (GGE, noninteracting case) and to the Gibbs ensemble (GE, weakly interacting case). We identify the class of quenches that, in the thermodynamic limit, results in GE and GGE entropies after the quench that are identical to the one in the initial state (quenches that do not produce entropy). Those quenches guarantee maximal work extraction when thermalization occurs. We show that the same remains true in the presence of integrable dynamics that results in equilibration to the GGE.

  18. Generalization of the cavity method for adiabatic evolution of Gibbs states (United States)

    Zdeborová, Lenka; Krzakala, Florent


    Mean-field glassy systems have a complicated energy landscape and an enormous number of different Gibbs states. In this paper, we introduce a generalization of the cavity method in order to describe the adiabatic evolution of these glassy Gibbs states as an external parameter, such as the temperature, is tuned. We give a general derivation of the method and describe in details the solution of the resulting equations for the fully connected p -spin model, the XOR-satisfiability (SAT) problem and the antiferromagnetic Potts glass (coloring problem). As direct results of the states following method we present a study of very slow Monte Carlo annealings, the demonstration of the presence of temperature chaos in these systems and the identification of an easy/hard transition for simulated annealing in constraint optimization problems. We also discuss the relation between our approach and the Franz-Parisi potential, as well as with the reconstruction problem on trees in computer science. A mapping between the states following method and the physics on the Nishimori line is also presented.

  19. Comparison of the Gibbs and Suga formulations of cardiac energetics: the demise of “isoefficiency” (United States)

    Han, J.-C.; Taberner, A. J.; Tran, K.; Goo, S.; Nickerson, D. P.; Nash, M. P.; Nielsen, P. M. F.; Crampin, E. J.


    Two very different sorts of experiments have characterized the field of cardiac energetics over the past three decades. In one of these, Gibbs and colleagues measured the heat production of isolated papillary muscles undergoing isometric contractions and afterloaded isotonic contractions. The former generated roughly linear heat vs. force relationships. The latter generated enthalpy-load relationships, the peak values of which occurred at or near peak isometric force, i.e., at a relative load of unity. Contractile efficiency showed a pronounced dependence on afterload. By contrast, Suga and coworkers measured the oxygen consumption (V̇o2) while recording the pressure-volume-time work loops of blood-perfused isolated dog hearts. From the associated (linear) end-systolic pressure-volume relations they derived a quantity labeled pressure-volume area (PVA), consisting of the sum of pressure-volume work and unspent elastic energy and showed that this was linearly correlated with V̇o2 over a wide range of conditions. This linear dependence imposed isoefficiency: constant contractile efficiency independent of afterload. Neither these data nor those of Gibbs and colleagues are in dispute. Nevertheless, despite numerous attempts over the years, no demonstration of either compatibility or incompatibility of these disparate characterizations of cardiac energetics has been forthcoming. We demonstrate that compatibility between the two formulations is thwarted by the concept of isoefficiency, the thermodynamic basis of which we show to be untenable. PMID:22879535

  20. Comparison of the Gibbs and Suga formulations of cardiac energetics: the demise of "isoefficiency". (United States)

    Han, J-C; Taberner, A J; Tran, K; Goo, S; Nickerson, D P; Nash, M P; Nielsen, P M F; Crampin, E J; Loiselle, D S


    Two very different sorts of experiments have characterized the field of cardiac energetics over the past three decades. In one of these, Gibbs and colleagues measured the heat production of isolated papillary muscles undergoing isometric contractions and afterloaded isotonic contractions. The former generated roughly linear heat vs. force relationships. The latter generated enthalpy-load relationships, the peak values of which occurred at or near peak isometric force, i.e., at a relative load of unity. Contractile efficiency showed a pronounced dependence on afterload. By contrast, Suga and coworkers measured the oxygen consumption (Vo(2)) while recording the pressure-volume-time work loops of blood-perfused isolated dog hearts. From the associated (linear) end-systolic pressure-volume relations they derived a quantity labeled pressure-volume area (PVA), consisting of the sum of pressure-volume work and unspent elastic energy and showed that this was linearly correlated with Vo(2) over a wide range of conditions. This linear dependence imposed isoefficiency: constant contractile efficiency independent of afterload. Neither these data nor those of Gibbs and colleagues are in dispute. Nevertheless, despite numerous attempts over the years, no demonstration of either compatibility or incompatibility of these disparate characterizations of cardiac energetics has been forthcoming. We demonstrate that compatibility between the two formulations is thwarted by the concept of isoefficiency, the thermodynamic basis of which we show to be untenable.

  1. Viscous drops bounce faster: prompt tumbling-rebound from a sublimating slope (United States)

    Antonini, Carlo; Jung, Stefan; Wetzel, Andreas; Heer, Emmanuel; Schoch, Philippe; Mazloomi, M. Ali; Chikatamarla, Shyam S.; Karlin, Ilya; Marengo, Marco; Poulikakos, Dimos


    We discovered a new drop rebound regime, characteristic of highly viscous liquids impacting onto tilted sublimating surfaces. By focusing on non-axisymmetric impact conditions at increasing viscosity, we demonstrate that low viscous drops show a ``slide, spread, recoil and rebound'' behavior, whereas viscous drops exhibit a ``prompt tumbling-rebound'' behavior. As such, viscous glycerol drops surprisingly rebound faster than three orders of magnitude less viscous water drops. This is made possible by a small conversion of translational to rotational kinetic energy, at non-axisymmetric impact conditions, as also confirmed by additional Lattice Boltzmann simulations: a rapid transition of the internal angular velocity prior to rebound to a constant value, as in a tumbling solid body, promotes a rapid rebound of more viscous drops, which are capable to rebound without recoiling. By studying drop impact dynamics, we explore the drop behavior in contactless and frictionless conditions, and identify the Ohnesorge number as the primary parameter to predict the transition between different impact regimes on tilted sublimating slopes, with tumbling observed for Ohnesorge numbers higher than unity.

  2. The significance of vertical moisture diffusion on drifting snow sublimation near snow surface (United States)

    Huang, Ning; Shi, Guanglei


    Sublimation of blowing snow is an important parameter not only for the study of polar ice sheets and glaciers, but also for maintaining the ecology of arid and semi-arid lands. However, sublimation of near-surface blowing snow has often been ignored in previous studies. To study sublimation of near-surface blowing snow, we established a sublimation of blowing snow model containing both a vertical moisture diffusion equation and a heat balance equation. The results showed that although sublimation of near-surface blowing snow was strongly reduced by a negative feedback effect, due to vertical moisture diffusion, the relative humidity near the surface does not reach 100 %. Therefore, the sublimation of near-surface blowing snow does not stop. In addition, the sublimation rate near the surface is 3-4 orders of magnitude higher than that at 10 m above the surface and the mass of snow sublimation near the surface accounts for more than half of the total snow sublimation when the friction wind velocity is less than about 0.55 m s-1. Therefore, the sublimation of near-surface blowing snow should not be neglected.

  3. On the dispute between Boltzmann and Gibbs entropy

    Energy Technology Data Exchange (ETDEWEB)

    Buonsante, Pierfrancesco; Franzosi, Roberto, E-mail:; Smerzi, Augusto


    The validity of the concept of negative temperature has been recently challenged by arguing that the Boltzmann entropy (that allows negative temperatures) is inconsistent from a mathematical and statistical point of view, whereas the Gibbs entropy (that does not admit negative temperatures) provides the correct definition for the microcanonical entropy. Here we prove that the Boltzmann entropy is thermodynamically and mathematically consistent. Analytical results on two systems supporting negative temperatures illustrate the scenario we propose. In addition we numerically study a lattice system to show that negative temperature equilibrium states are accessible and obey standard statistical mechanics prediction.

  4. Effect of Zn doping on the sublimation rate of pentaerythritol tetranitrate using atomic force microscopy. (United States)

    Mridha, Subrata; Weeks, Brandon L


    A series of Zn ion-doped pentaerythritol tetranitrate (PETN) nanoislands in the form of thin films were prepared on Si substrates using spin coating. The effect of Zn concentrations on the sublimation energy was investigated by atomic force microscopy (AFM). The pure and Zn-doped nanoislands are imaged by AFM in contact mode at room temperature after annealing isothermally for a given time. The volume of the islands starts to decrease after annealing at 45 degrees C for pure PETN, whereas Zn-doped nanoislands start to decrease in height and volume after annealing at 55-58 degrees C. The minimum activation energy is found to be 29.7 Kcal/mol for 1,000 ppm Zn concentration. These studies are important for the long-term stabilization of PETN.

  5. Modelling of the sublimation of icy grains in the coma of comet 67P/Churyumov-Gerasimenko (United States)

    Gicquel, A.; Vincent, J.-B.; Shi, X.; Sierks, H.; Rose, M.; Güttler, C.; Tubiana, C.


    the grain is higher close to the Sun). The grain temperatures will be derived by assuming equilibrium between the energy absorbed from the Sun, the energy re-radiated in the infrared, and the cooling by sublimation. We will use Mie theory [3, 4] to compute the scattering properties of an assumed grain (grain size, shape and composition, including mineralogy and porosity). We follow the evolution of grains until the icy layer sublimates completely. Once ejected in the gas flow, the generated molecules have no preferred direction. First results highlighted that the sublimation has a significant influence on the dust trajectories and generates a gas cloud that moves with the velocity of the icy grains. Our model can produce artificial images for a wide range of parameters, including outgassing rate, surface temperature, dust properties and sublimation of icy grains. The results of this model will be compared to the images obtained with OSIRIS camera and to the published data from other instruments.

  6. Exploring phylogenetic hypotheses via Gibbs sampling on evolutionary networks

    Directory of Open Access Journals (Sweden)

    Yun Yu


    Full Text Available Abstract Background Phylogenetic networks are leaf-labeled graphs used to model and display complex evolutionary relationships that do not fit a single tree. There are two classes of phylogenetic networks: Data-display networks and evolutionary networks. While data-display networks are very commonly used to explore data, they are not amenable to incorporating probabilistic models of gene and genome evolution. Evolutionary networks, on the other hand, can accommodate such probabilistic models, but they are not commonly used for exploration. Results In this work, we show how to turn evolutionary networks into a tool for statistical exploration of phylogenetic hypotheses via a novel application of Gibbs sampling. We demonstrate the utility of our work on two recently available genomic data sets, one from a group of mosquitos and the other from a group of modern birds. We demonstrate that our method allows the use of evolutionary networks not only for explicit modeling of reticulate evolutionary histories, but also for exploring conflicting treelike hypotheses. We further demonstrate the performance of the method on simulated data sets, where the true evolutionary histories are known. Conclusion We introduce an approach to explore phylogenetic hypotheses over evolutionary phylogenetic networks using Gibbs sampling. The hypotheses could involve reticulate and non-reticulate evolutionary processes simultaneously as we illustrate on mosquito and modern bird genomic data sets.

  7. Just Another Gibbs Additive Modeler: Interfacing JAGS and mgcv

    Directory of Open Access Journals (Sweden)

    Simon N. Wood


    Full Text Available The BUGS language offers a very flexible way of specifying complex statistical models for the purposes of Gibbs sampling, while its JAGS variant offers very convenient R integration via the rjags package. However, including smoothers in JAGS models can involve some quite tedious coding, especially for multivariate or adaptive smoothers. Further, if an additive smooth structure is required then some care is needed, in order to centre smooths appropriately, and to find appropriate starting values. R package mgcv implements a wide range of smoothers, all in a manner appropriate for inclusion in JAGS code, and automates centring and other smooth setup tasks. The purpose of this note is to describe an interface between mgcv and JAGS, based around an R function, jagam, which takes a generalized additive model (GAM as specified in mgcv and automatically generates the JAGS model code and data required for inference about the model via Gibbs sampling. Although the auto-generated JAGS code can be run as is, the expectation is that the user would wish to modify it in order to add complex stochastic model components readily specified in JAGS. A simple interface is also provided for visualisation and further inference about the estimated smooth components using standard mgcv functionality. The methods described here will be un-necessarily inefficient if all that is required is fully Bayesian inference about a standard GAM, rather than the full flexibility of JAGS. In that case the BayesX package would be more efficient.

  8. Reflections on Gibbs: From Statistical Physics to the Amistad V3.0 (United States)

    Kadanoff, Leo P.


    This note is based upon a talk given at an APS meeting in celebration of the achievements of J. Willard Gibbs. J. Willard Gibbs, the younger, was the first American physical sciences theorist. He was one of the inventors of statistical physics. He introduced and developed the concepts of phase space, phase transitions, and thermodynamic surfaces in a remarkably correct and elegant manner. These three concepts form the basis of different areas of physics. The connection among these areas has been a subject of deep reflection from Gibbs' time to our own. This talk therefore celebrated Gibbs by describing modern ideas about how different parts of physics fit together. I finished with a more personal note. Our own J. Willard Gibbs had all his many achievements concentrated in science. His father, also J. Willard Gibbs, also a Professor at Yale, had one great non-academic achievement that remains unmatched in our day. I describe it.

  9. Large scale inference in the Infinite Relational Model: Gibbs sampling is not enough

    DEFF Research Database (Denmark)

    Albers, Kristoffer Jon; Moth, Andreas Leon Aagard; Mørup, Morten


    The stochastic block-model and its non-parametric extension, the Infinite Relational Model (IRM), have become key tools for discovering group-structure in complex networks. Identifying these groups is a combinatorial inference problem which is usually solved by Gibbs sampling. However, whether...... Gibbs sampling suffices and can be scaled to the modeling of large scale real world complex networks has not been examined sufficiently. In this paper we evaluate the performance and mixing ability of Gibbs sampling in the Infinite Relational Model (IRM) by implementing a high performance Gibbs sampler....... We find that Gibbs sampling can be computationally scaled to handle millions of nodes and billions of links. Investigating the behavior of the Gibbs sampler for different sizes of networks we find that the mixing ability decreases drastically with the network size, clearly indicating a need...

  10. Figure del desiderio: l'amore fra distruzione e sublime

    Directory of Open Access Journals (Sweden)

    Mabel Franzone


    Full Text Available Attraverso due racconti di Cortázar, l'analisi di due figure del desiderio ci permette esplorare due estremi seguendo una verticalità. La distruzione, doppio tenebroso della nostra anima, ci rivela un erotismo legato alla morte e al desiderio morboso di possedere l'Altro; il suo contraltare è un'ascesa vertiginosa accompagnata da un godimento estetico, dall'amore sublime prossimo all'esperienza mistica che si concluderà con una discesa progressiva e nel rispetto di questo Altro. La creazione letteraria si presenta come uno sfogo alle nostre angosce, che sono anche una sorta d'espressione dell'erotismo.

  11. On the importance of sublimation to an alpine snow mass balance in the Canadian Rocky Mountains

    Directory of Open Access Journals (Sweden)

    M. K. MacDonald


    Full Text Available A modelling study was undertaken to evaluate the contribution of sublimation to an alpine snow mass balance in the Canadian Rocky Mountains. Snow redistribution and sublimation by wind, snowpack sublimation and snowmelt were simulated for two winters over an alpine ridge transect located in the Canada Rocky Mountains. The resulting snowcover regimes were compared to those from manual snow surveys. Simulations were performed using physically based blowing snow (PBSM and snowpack ablation (SNOBAL models. A hydrological response unit (HRU-based spatial discretization was used rather than a more computationally expensive fully-distributed one. The HRUs were set up to follow an aerodynamic sequence, whereby eroded snow was transported from windswept, upwind HRUs to drift accumulating, downwind HRUs. That snow redistribution by wind can be adequately simulated in computationally efficient HRUs over this ridge has important implications for representing snow transport in large-scale hydrology models and land surface schemes. Alpine snow sublimation losses, in particular blowing snow sublimation losses, were significant. Snow mass losses to sublimation as a percentage of cumulative snowfall were estimated to be 20–32% with the blowing snow sublimation loss amounting to 17–19% of cumulative snowfall. This estimate is considered to be a conservative estimate of the blowing snow sublimation loss in the Canadian Rocky Mountains because the study transect is located in the low alpine zone where the topography is more moderate than the high alpine zone and windflow separation was not observed. An examination of the suitability of PBSM's sublimation estimates in this environment and of the importance of estimating blowing snow sublimation on the simulated snow accumulation regime was conducted by omitting sublimation calculations. Snow accumulation in HRUs was overestimated by 30% when neglecting blowing snow sublimation calculations.

  12. The pleasures of contra-purposiveness: Kant, the sublime, and being human


    Deligiorgi, Katerina


    When Paul Guyer surveyed the literature on the sublime about twenty years ago, he noted the flourishing of psychoanalytic and deconstructionist interpretations of the sublime by literary theorists and offered his own interpretative essay on Kant’s sublime as a contribution to a sparsely populated field. Today the situation is reversed. In the field of philosophical aesthetics, understood to include analytic aesthetics as well as theoretical approaches to literary and visual culture, serious d...

  13. Preparation of 2:1 urea-succinic acid cocrystals by sublimation (United States)

    Zhang, Tian; Yu, Qiushuo; Li, Xiaorui; Ma, Xiaoxun


    The aim of this study is to introduce a sublimation method for preparing cocrystals. The 2:1 urea-succinic acid cocrystals were generated by a simple sublimation apparatus, analyzed by Powder X-ray Diffraction (PXRD), Transmission Fourier Transform Infrared (FTIR) and Differential Scanning Calorimetry (DCS). The role of supersaturations in vapor crystallization was also discussed in detail. This work showed sublimation was a promising method for cocrystallization.

  14. Meteorological conditions associated to high sublimation amounts in semiarid high-elevation Andes decrease the performance of empirical melt models (United States)

    Ayala, Alvaro; Pellicciotti, Francesca; MacDonell, Shelley; McPhee, James; Burlando, Paolo


    Empirical melt (EM) models are often preferred to surface energy balance (SEB) models to calculate melt amounts of snow and ice in hydrological modelling of high-elevation catchments. The most common reasons to support this decision are that, in comparison to SEB models, EM models require lower levels of meteorological data, complexity and computational costs. However, EM models assume that melt can be characterized by means of a few index variables only, and their results strongly depend on the transferability in space and time of the calibrated empirical parameters. In addition, they are intrinsically limited in accounting for specific process components, the complexity of which cannot be easily reconciled with the empirical nature of the model. As an example of an EM model, in this study we use the Enhanced Temperature Index (ETI) model, which calculates melt amounts using air temperature and the shortwave radiation balance as index variables. We evaluate the performance of the ETI model on dry high-elevation sites where sublimation amounts - that are not explicitly accounted for the EM model - represent a relevant percentage of total ablation (1.1 to 8.7%). We analyse a data set of four Automatic Weather Stations (AWS), which were collected during the ablation season 2013-14, at elevations between 3466 and 4775 m asl, on the glaciers El Tapado, San Francisco, Bello and El Yeso, which are located in the semiarid Andes of central Chile. We complement our analysis using data from past studies in Juncal Norte Glacier (Chile) and Haut Glacier d'Arolla (Switzerland), during the ablation seasons 2008-09 and 2006, respectively. We use the results of a SEB model, applied to each study site, along the entire season, to calibrate the ETI model. The ETI model was not designed to calculate sublimation amounts, however, results show that their ability is low also to simulate melt amounts at sites where sublimation represents larger percentages of total ablation. In fact, we

  15. Characteristics of Vacuum Freeze Drying with Utilization of Internal Cooling and Condenser Waste Heat for Sublimation

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    Muhammad Alhamid


    Full Text Available Vacuum freeze drying is an excellent drying method, but it is very energy-intensive because a relatively long drying time is required. This research investigates the utilization of condenser waste heat for sublimation as a way of accelerating the drying rate. In addition, it also investigates the effect of internal cooling combined with vacuum cooling in the pressure reduction process. Jelly fish tentacles were used as the specimen, with different configurations for condenser heat waste and internal cooling valve opening. The results show that heating with condenser heat waste can accelerate the drying rate up to 0.0035 kg/m2.s. In addition, pre-freezing by internal cooling prevents evaporation until the mass of the specimen is 0.47 g and promotes transition of the specimen into the solid phase.

  16. D/H fractionation during the sublimation of water ice (United States)

    Lécuyer, Christophe; Royer, Aurélien; Fourel, François; Seris, Magali; Simon, Laurent; Robert, François


    Experiments of sublimation of pure water ice have been performed in the temperature range -105 °C to -30 °C and atmospheric partial pressures ranging from 10-6 to 10-1 mb. Sampling of both vapour and residual ice fractions has been performed with the use of a vacuum line designed for the extraction and purification of gases before the measurement of their D/H ratios. Sublimation was responsible for sizable isotopic fractionation factors in the range 0.969-1.123 for temperatures lying between -105 °C and -30 °C. The fractionation factor exhibits a cross-over at temperatures around -50 °C with the water vapour fraction being D-depleted relative to the residual ice fraction at T deuterium enrichment or depletion between ice and water vapour cannot explain the differences in the D/H ratios amongst Jupiter comets and long-period comets families nor those that have been documented between Earth's and cometary water.

  17. Conditions for Sublimating Water Ice to Supply Ceres' Exosphere (United States)

    Landis, M. E.; Byrne, S.; Schörghofer, N.; Schmidt, B. E.; Hayne, P. O.; Castillo-Rogez, J.; Sykes, M. V.; Combe, J.-P.; Ermakov, A. I.; Prettyman, T. H.; Raymond, C. A.; Russell, C. T.


    Observations of a water vapor exosphere around Ceres suggest that the dwarf planet may be episodically outgassing at a rate of 6 kg s-1 from unknown sources. With data from the Dawn mission as constraints, we use a coupled thermal and vapor diffusion model to explore three different configurations of water ice (global buried pore-filling ice, global buried excess ice, and local exposed surface ice) that could be present on Ceres. We conclude that a buried ice table cannot alone explain the vapor production rates previously measured, but newly exposed surface ice, given the right conditions, can exceed that vapor production rate. Sublimation lag deposits form that bury and darken this surface ice over a large range of timescales (from <1 year to approximately hundreds of kyr) that depend on latitude and ice regolith content. Sublimating water vapor can loft regolith particles from the surface of exposed ice, possibly prolonging the visible lifespan of those areas. We find that this process is only effective for regolith grains smaller than approximately ones of microns.

  18. Heavy-tailed phase-space distributions beyond Boltzmann-Gibbs: Confined laser-cooled atoms in a nonthermal state. (United States)

    Dechant, Andreas; Shafier, Shalom Tzvi; Kessler, David A; Barkai, Eli


    The Boltzmann-Gibbs density, a central result of equilibrium statistical mechanics, relates the energy of a system in contact with a thermal bath to its equilibrium statistics. This relation is lost for nonthermal systems such as cold atoms in optical lattices, where the heat bath is replaced with the laser beams of the lattice. We investigate in detail the stationary phase-space probability for Sisyphus cooling under harmonic confinement. In particular, we elucidate whether the total energy of the system still describes its stationary state statistics. We find that this is true for the center part of the phase-space density for deep lattices, where the Boltzmann-Gibbs density provides an approximate description. The relation between energy and statistics also persists for strong confinement and in the limit of high energies, where the system becomes underdamped. However, the phase-space density now exhibits heavy power-law tails. In all three cases we find expressions for the leading-order phase-space density and corrections which break the equivalence of probability and energy and violate energy equipartition. The nonequilibrium nature of the steady state is corroborated by explicit violations of detailed balance. We complement these analytical results with numerical simulations to map out the intricate structure of the phase-space density.

  19. Productioon uncertainties modelling by Bayesian inference using Gibbs sampling

    Directory of Open Access Journals (Sweden)

    Azizi, Amir


    Full Text Available Analysis by modelling production throughput is an efficient way to provide information for production decision-making. Observation and investigation based on a real-life tile production line revealed that the five main uncertain variables are demand rate, breakdown time, scrap rate, setup time, and lead time. The volatile nature of these random variables was observed over a specific period of 104 weeks. The processes were sequential and multi-stage. These five uncertain variables of production were modelled to reflect the performance of overall production by applying Bayesian inference using Gibbs sampling. The application of Bayesian inference for handling production uncertainties showed a robust model with 2.5 per cent mean absolute percentage error. It is recommended to consider the five main uncertain variables that are introduced in this study for production decision-making. The study proposes the use of Bayesian inference for superior accuracy in production decision-making.

  20. Boosting association rule mining in large datasets via Gibbs sampling (United States)

    Qian, Guoqi; Rao, Calyampudi Radhakrishna; Sun, Xiaoying; Wu, Yuehua


    Current algorithms for association rule mining from transaction data are mostly deterministic and enumerative. They can be computationally intractable even for mining a dataset containing just a few hundred transaction items, if no action is taken to constrain the search space. In this paper, we develop a Gibbs-sampling–induced stochastic search procedure to randomly sample association rules from the itemset space, and perform rule mining from the reduced transaction dataset generated by the sample. Also a general rule importance measure is proposed to direct the stochastic search so that, as a result of the randomly generated association rules constituting an ergodic Markov chain, the overall most important rules in the itemset space can be uncovered from the reduced dataset with probability 1 in the limit. In the simulation study and a real genomic data example, we show how to boost association rule mining by an integrated use of the stochastic search and the Apriori algorithm. PMID:27091963

  1. Augmented Gibbs-Tolman Model for Surface Tension. (United States)

    Tumram, Sukesh; Kesava Rao, K; Ananth, M S


    Gibbs developed the thermodynamics of a liquid-vapor system by introducing the idea of a "dividing surface" a hypothetical surface that separates the system into two homogeneous phases. The area and curvatures of a conveniently chosen dividing surface, the "surface of tension", are used to account for the effects of the smooth variation of properties across the actual transition layer between the phases. Tolman (1948, 1949) considered a more detailed model of the interfacial region and obtained expressions for surface tension (σ) and the location of the surface of tension. Based on qualitative arguments, Tolman's model introduced a surface of tension, such that the pressure (P) increases from its saturation value (P sat ) to a maximum value (P max ) as the surface is approached from the vapor side and decreases from (P sat ) to its minimum value (P min ) as the surface is approached from the liquid side. Assuming an exponential decay of (P) away from the surface, Tolman obtained an explicit expression for (σ) in terms of P sat , P max , P min , and two length scales. In the this work, the Gibbs-Tolman (GT) model is used along with the Lee and Kesler (1975) equation of state. The model is augmented to take into account the effect of the density gradient in the transition zone and a 4-parameter augmented model (AGT model) is proposed. The GT and AGT models are shown to fit the data for 152 pure liquids with an absolute average deviation (AAD) of 4.91% and 2.02%, respectively. The corresponding AAD values for 57 liquid mixtures are 4.2% and 3.0% respectively. Arguments are also presented to counter some of the fundamental concerns that have been raised about the GT approach. Although the model correlates the data very well, one of the length parameters turns out to be persistently negative, and the reason for this behavior is not clear.

  2. Fe embedded in ice: The impacts of sublimation and energetic particle bombardment (United States)

    Frankland, Victoria L.; Plane, John M. C.


    Icy particles containing a variety of Fe compounds are present in the upper atmospheres of planets such as the Earth and Saturn. In order to explore the role of ice sublimation and energetic ion bombardment in releasing Fe species into the gas phase, Fe-dosed ice films were prepared under UHV conditions in the laboratory. Temperature-programmed desorption studies of Fe/H2O films revealed that no Fe atoms or Fe-containing species co-desorbed along with the H2O molecules. This implies that when noctilucent ice cloud particles sublimate in the terrestrial mesosphere, the metallic species embedded in them will coalesce to form residual particles. Sputtering of the Fe-ice films by energetic Ar+ ions was shown to be an efficient mechanism for releasing Fe into the gas phase, with a yield of 0.08 (Ar+ energy=600 eV). Extrapolating with a semi-empirical sputtering model to the conditions of a proton aurora indicates that sputtering by energetic protons (>100 keV) should also be efficient. However, the proton flux in even an intense aurora will be too low for the resulting injection of Fe species into the gas phase to compete with that from meteoric ablation. In contrast, sputtering of the icy particles in the main rings of Saturn by energetic O+ ions may be the source of recently observed Fe+ in the Saturnian magnetosphere. Electron sputtering (9.5 keV) produced no detectable Fe atoms or Fe-containing species. Finally, it was observed that Fe(OH)2 was produced when Fe was dosed onto an ice film at 140 K (but not at 95 K). Electronic structure theory shows that the reaction which forms this hydroxide from adsorbed Fe has a large barrier of about 0.7 eV, from which we conclude that the reaction requires both translationally hot Fe atoms and mobile H2O molecules on the ice surface.

  3. The fate of meteoric metals in ice particles: Effects of sublimation and energetic particle bombardment (United States)

    Mangan, T. P.; Frankland, V. L.; Murray, B. J.; Plane, J. M. C.


    The uptake and potential reactivity of metal atoms on water ice can be an important process in planetary atmospheres and on icy bodies in the interplanetary and interstellar medium. For instance, metal atom uptake affects the gas-phase chemistry of the Earth's mesosphere, and has been proposed to influence the agglomeration of matter into planets in protoplanetary disks. In this study the fate of Mg and K atoms incorporated into water-ice films, prepared under ultra-high vacuum conditions at temperatures of 110-140 K, was investigated. Temperature-programmed desorption experiments reveal that Mg- and K-containing species do not co-desorb when the ice sublimates, demonstrating that uptake on ice particles causes irreversible removal of the metals from the gas phase. This implies that uptake on ice particles in terrestrial polar mesospheric clouds accelerates the formation of large meteoric smoke particles (≥1 nm radius above 80 km) following sublimation of the ice. Energetic sputtering of metal-dosed ice layers by 500 eV Ar+ and Kr+ ions shows that whereas K reacts on (or within) the ice surface to form KOH, adsorbed Mg atoms are chemically inert. These experimental results are consistent with electronic structure calculations of the metals bound to an ice surface, where theoretical adsorption energies on ice are calculated to be -68 kJ mol-1 for K, -91 kJ mol-1 for Mg, and -306 kJ mol-1 for Fe. K can also insert into a surface H2O to produce KOH and a dangling H atom, in a reaction that is slightly exothermic.

  4. On the use of semiempirical models of (solid + supercritical fluid) systems to determine solid sublimation properties

    Energy Technology Data Exchange (ETDEWEB)

    Tabernero, Antonio; Martin del Valle, Eva M., E-mail:; Galan, Miguel A.


    Research highlights: We propose a method to determine sublimation properties of solids. Low deviations were produced calculating sublimation enthalpies and pressures. It is a required step to determine the vaporization enthalpy of the solid. It is possible to determine solid properties using semiempirical models solid-SCF. - Abstract: Experimental solubility data of solid-supercritical fluids have significantly increased in the last few years, and semiempirical models are emerging as one of the best choices to fit this type of data. This work establishes a methodology to calculate sublimation pressures using this type of equations. It requires the use of Bartle's equation to model equilibria data solid-supercritical fluids with the aim of determining the vaporization enthalpy of the compound. Using this method, low deviations were obtained by calculating sublimation pressures and sublimation enthalpies. The values of the sublimation pressures were subsequently used to successfully model different multiphasic equilibria, as solid-supercritical fluids and solid-solvent-supercritical fluids with the Peng-Robinson equation of state (without considering the sublimation pressure as an adjustable parameter). On the other hand, the sublimation pressures were also used to calculate solid sublimation properties and acetaminophen solvation properties in some solvents. Also, solubility data solid-supercritical fluids from 62 pharmaceuticals were fitted with different semiempirical equations (Chrastil, Kumar-Johnston and Bartle models) in order to present the values of solvation enthalpies in sc-CO{sub 2} and vaporization enthalpies for these compounds. All of these results highlight that semiempirical models can be used for any other purpose as well as modeling (solid + supercritical fluids) equilibria.

  5. The osmotic second virial coefficient and the Gibbs-McMillan-Mayer framework

    DEFF Research Database (Denmark)

    Mollerup, J.M.; Breil, Martin Peter


    . The independent variables of the solvents are temperature, pressure, and chemical potentials. The derivatives in the Gibbs-McMillan-Mayer framework are transformed into derivatives in the Gibbs framework. This offers the possibility for an interpretation and correlation of the osmotic second virial coefficient...... variables associated with the Kirkwood-Buff, the McMillan-Mayer, and the Lewis-Randall solution theories. In this paper we analyse the osmotic second virial coefficient using a Gibbs-McMillan-Mayer framework which is similar to the McMillan-Mayer framework with the exception that pressure rather than volume...

  6. Debate on sublime in the end of 18th century: Burke, Kant, Schiller

    Directory of Open Access Journals (Sweden)

    Jeremić-Molnar Dragana


    Full Text Available In the article the authors are examining three positions within the 18th Century aesthetic discussion on the sublime - Edmund Burke's, Immanuel Kant's and Friedrich Schiller's. They are also trying to reconstruct the political backgrounds of each of this theoretical positions: old regime conservatism (Burke, republican liberalism (Schiller and romantic longing for the 'third way' (Kant. The most sophisticated and mature theory of sublime is found in Schiller's aesthetic works, especially in those following his disappointment in French Revolution, in which the relationship between sublime and paradoxes of historical violence is most thoroughly reflected.

  7. Mimeses do sublime: a recepção de Kant pelo Romantismo e pelo Expressionismo Mimesis of sublime: the Romantism and Expressionism reception of Kant

    Directory of Open Access Journals (Sweden)

    Priscila Rossinetti Rufinoni


    Full Text Available Partindo das analises do criticismo kantiano, este texto investiga as concepções romântica e moderna de sublime e de imaginação. Se, por um lado, a concepção romântica inaugura o mundo moderno, por outro, a expressionista mostra os limites dessa mesma modernidade. Para ambas, entretanto, a Crítica do Juízo de Kant é o âmbito privilegiado no qual podemos precisar as distinções.Starting from the analysis of the Kantian criticism, this text investigates the romantic and the modern conceptions of sublime and imagination. On the one hand, the romantic conceptions of sublime inaugurate the modern world. On the other hand, the expressionist conceptions show the confines of this world. The Critique of Judgment is the very locus where such distinctions can be drawn with precision.

  8. Rousseau's Ethics of Truth: a sublime science of simple souls

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    Jason Neildleman


    Full Text Available ROUSSEAU’S ETHICS OF TRUTH - A SUBLIME SCIENCE OF SIMPLE SOULS Resumo: este artigo é um resumo do livro com o mesmo título, publicado pelas edições da Routledge, nos Estados Unidos. Tanto no livro quanto neste artigo, o autor pretende discutir a coerência dos textos de Rousseau, na qual é possível prospectar uma "ética da verdade" cujo objetivo seja alcançar um vínculo de comunhão com as pessoas e com as coisas. O autor tenta ainda discutir as implicações da ética da verdade de Rousseau sobre o nosso sentido de si mesmo e o sentido de existência no mundo. Palavras-chave: Rousseau. Ética. Verdade. Filosofia. Abstract: This paper is a summary of the book published by Routledge in the United States. The author aims to discuss the coherence of Rousseau’s texts thought which it is possible to prospect an “ethics of truth”, so to achieve a communion bond with people and things. The author tries also to discuss the implications of Rousseau’s ethics of truth on our sense of self and the implications in the real existence in the world. Keywords: Rousseau. Ethics. Truth. Philosophy.

  9. info-gibbs: a motif discovery algorithm that directly optimizes information content during sampling. (United States)

    Defrance, Matthieu; van Helden, Jacques


    Discovering cis-regulatory elements in genome sequence remains a challenging issue. Several methods rely on the optimization of some target scoring function. The information content (IC) or relative entropy of the motif has proven to be a good estimator of transcription factor DNA binding affinity. However, these information-based metrics are usually used as a posteriori statistics rather than during the motif search process itself. We introduce here info-gibbs, a Gibbs sampling algorithm that efficiently optimizes the IC or the log-likelihood ratio (LLR) of the motif while keeping computation time low. The method compares well with existing methods like MEME, BioProspector, Gibbs or GAME on both synthetic and biological datasets. Our study shows that motif discovery techniques can be enhanced by directly focusing the search on the motif IC or the motif LLR.

  10. Integrated Sublimator Driven Coldplate for use in Active Thermal Control System Project (United States)

    National Aeronautics and Space Administration — The original Sublimator Driven Coldplate (SDC) design sought to provide significant mass savings over a traditional pumped fluid loop by combining the functions of a...

  11. Investigation of the extruded products based on lupins, lentils and sublimated meat hydrophilic properties

    Directory of Open Access Journals (Sweden)

    A. N. Ostrikov


    Full Text Available Using the calorimetric method have been studied the swelling kinetics of developed vegetable-meat mixture on the basis of lentils, lupine and sublimated meat to create extruded functionality products.

  12. In situ transmission electron microscopy observations of sublimation in silver nanoparticles. (United States)

    Asoro, Michael A; Kovar, Desiderio; Ferreira, Paulo J


    In situ heating experiments were performed in a transmission electron microscope (TEM) to monitor the thermal stability of silver nanoparticles. The sublimation kinetics from isothermal experiments on individual nanoparticles was used to assess the actual temperatures of the nanoparticles by considering the localized heating from the electron beam. For isolated nanoparticles, beam heating under normal TEM operating conditions was found to increase the temperature by tens of degrees. For nominally isothermal experiments, the observed sublimation temperatures generally decreased with decreasing particle size, in agreement with the predictions from the Kelvin equation. However, sublimation of smaller nanoparticles was often observed to occur in discrete steps, which led to faceting of the nanoparticles. This discrete behavior differs from that predicted by conventional theory as well as from experimental observations in larger nanoparticles where sublimation was continuous. A hypothesis that explains the mechanism for this size-dependent behavior is proposed.

  13. Blowing snow sublimation and transport over Antarctica from 11 years of CALIPSO observations (United States)

    Palm, Stephen P.; Kayetha, Vinay; Yang, Yuekui; Pauly, Rebecca


    Blowing snow processes commonly occur over the earth's ice sheets when the 10 m wind speed exceeds a threshold value. These processes play a key role in the sublimation and redistribution of snow thereby influencing the surface mass balance. Prior field studies and modeling results have shown the importance of blowing snow sublimation and transport on the surface mass budget and hydrological cycle of high-latitude regions. For the first time, we present continent-wide estimates of blowing snow sublimation and transport over Antarctica for the period 2006-2016 based on direct observation of blowing snow events. We use an improved version of the blowing snow detection algorithm developed for previous work that uses atmospheric backscatter measurements obtained from the CALIOP (Cloud-Aerosol Lidar with Orthogonal Polarization) lidar aboard the CALIPSO (Cloud-Aerosol Lidar and Infrared Pathfinder Satellite Observation) satellite. The blowing snow events identified by CALIPSO and meteorological fields from MERRA-2 are used to compute the blowing snow sublimation and transport rates. Our results show that maximum sublimation occurs along and slightly inland of the coastline. This is contrary to the observed maximum blowing snow frequency which occurs over the interior. The associated temperature and moisture reanalysis fields likely contribute to the spatial distribution of the maximum sublimation values. However, the spatial pattern of the sublimation rate over Antarctica is consistent with modeling studies and precipitation estimates. Overall, our results show that the 2006-2016 Antarctica average integrated blowing snow sublimation is about 393 ± 196 Gt yr-1, which is considerably larger than previous model-derived estimates. We find maximum blowing snow transport amount of 5 Mt km-1 yr-1 over parts of East Antarctica and estimate that the average snow transport from continent to ocean is about 3.7 Gt yr-1. These continent-wide estimates are the first of their kind

  14. Rigorous Proof of the Boltzmann-Gibbs Distribution of Money on Connected Graphs (United States)

    Lanchier, Nicolas


    Models in econophysics, i.e., the emerging field of statistical physics that applies the main concepts of traditional physics to economics, typically consist of large systems of economic agents who are characterized by the amount of money they have. In the simplest model, at each time step, one agent gives one dollar to another agent, with both agents being chosen independently and uniformly at random from the system. Numerical simulations of this model suggest that, at least when the number of agents and the average amount of money per agent are large, the distribution of money converges to an exponential distribution reminiscent of the Boltzmann-Gibbs distribution of energy in physics. The main objective of this paper is to give a rigorous proof of this result and show that the convergence to the exponential distribution holds more generally when the economic agents are located on the vertices of a connected graph and interact locally with their neighbors rather than globally with all the other agents. We also study a closely related model where, at each time step, agents buy with a probability proportional to the amount of money they have, and prove that in this case the limiting distribution of money is Poissonian.

  15. The impacts of moisture transport on drifting snow sublimation in the saltation layer

    Directory of Open Access Journals (Sweden)

    N. Huang


    Full Text Available Drifting snow sublimation (DSS is an important physical process related to moisture and heat transfer that happens in the atmospheric boundary layer, which is of glaciological and hydrological importance. It is also essential in order to understand the mass balance of the Antarctic ice sheets and the global climate system. Previous studies mainly focused on the DSS of suspended snow and ignored that in the saltation layer. Here, a drifting snow model combined with balance equations for heat and moisture is established to simulate the physical DSS process in the saltation layer. The simulated results show that DSS can strongly increase humidity and cooling effects, which in turn can significantly reduce DSS in the saltation layer. However, effective moisture transport can dramatically weaken the feedback effects. Due to moisture advection, DSS rate in the saltation layer can be several orders of magnitude greater than that of the suspended particles. Thus, DSS in the saltation layer has an important influence on the distribution and mass–energy balance of snow cover.

  16. Ag doped ZnTe films prepared by closed space sublimation and an ion exchange process

    Energy Technology Data Exchange (ETDEWEB)

    Aqili, Akram K.S., E-mail: [Department of Physics, Hashemite University, Zarqa (Jordan); Saleh, Ahmad J. [Department of Physics, Hashemite University, Zarqa (Jordan); Ali, Zulfiqar [Optics Laboratories, Islamabad (Pakistan); Al-Omari, S. [Department of Physics, Hashemite University, Zarqa (Jordan)


    Highlights: Black-Right-Pointing-Pointer ZnTe thin films are prepared by low-cost simple technique (CSS). Black-Right-Pointing-Pointer Silver doping is achieved by an ion exchange process. Black-Right-Pointing-Pointer Small peaks appear in the XRD diffraction pattern related to Ag{sub 2}Te. Black-Right-Pointing-Pointer Increase of the films refractive index and shift of optical band was observed. - Abstract: ZnTe thin films were deposited by closed space sublimation (CSS) technique on amorphous glass substrate. The deposited films were immersed in AgNO{sub 3} solution for different time periods, then heated in vacuum. The resistivity of the film, immersed for 30 min, was reduced by less than six orders of magnitudes. The films structures were characterized by X-ray diffraction (XRD). Atomic force microscope (AFM) was used to detect the surface morphology of the films. The films thickness, the optical properties, such as refractive index, absorption coefficient and the optical band gap were determined from transmittance spectra in the wavelength range of 400-2500 nm. The dark electrical conductivities of the films were studied as function of temperature to determine the conductivity activation energy.

  17. Prediction of the bubble point pressure for the binary mixture of ethanol and 1,1,1,2,3,3,3-heptafluoropropane from Gibbs ensemble Monte Carlo simulations using the TraPPE force field

    Energy Technology Data Exchange (ETDEWEB)

    Rai, N; Rafferty, J L; Maiti, A; Siepmann, I


    Configurational-bias Monte Carlo simulations in the Gibbs ensemble using the TraPPE force field were carried out to predict the pressure-composition diagrams for the binary mixture of ethanol and 1,1,1,2,3,3,3-heptafluoropropane at 283.17 and 343.13 K. A new approach is introduced that allows to scale predictions at one temperature based on the differences in Gibbs free energies of transfer between experiment and simulation obtained at another temperature. A detailed analysis of the molecular structure and hydrogen bonding for this fluid mixture is provided.

  18. Distributed modelling of climate change impacts on snow sublimation in Northern Mongolia

    Directory of Open Access Journals (Sweden)

    L. Menzel


    Full Text Available Sublimation of snow is an important factor of the hydrological cycle in Mongolia and is likely to increase according to future climate projections. In this study the hydrological model TRAIN was used to assess spatially distributed current and future sublimation rates based on interpolated daily data of precipitation, air temperature, air humidity, wind speed and solar radiation. An automated procedure for the interpolation of the input data is provided. Depending on the meteorological parameter and the data availability for the individual days, the most appropriate interpolation method is chosen automatically from inverse distance weighting, Ordinary Least Squares interpolation, Ordinary or Universal Kriging. Depending on elevation simulated annual sublimation in the period 1986–2006 was 23 to 35 mm, i.e. approximately 80% of total snowfall. Moreover, future climate projections for 2071–2100 of ECHAM5 and HadCM3, based on the A1B emission scenario of the Intergovernmental Panel on Climate Change, were analysed with TRAIN. In the case of ECHAM5 simulated sublimation increases by up to 17% (26...41 mm while it remains at the same level for HadCM3 (24...34 mm. The differences are mainly due to a distinct increase in winter precipitation for ECHAM5. Simulated changes of the all-season hydrological conditions, e.g. the sublimation-to-precipitation ratio, were ambiguous due to diverse precipitation patterns derived by the global circulation models.

  19. Experimental Study of influence on The Moving of Sublimation Interface by Precooling Rate and Drying Temperature During Freeze-drying (United States)

    Xiao, Xin; Tao, Le-Ren


    For complex heat and mass transfer during freeze-drying, the shape and the moving rate of sublimation interface have not been clearly recognized yet. In this paper, Micro-CT scanner was used to follow the moving interface during sublimation. Apple slices cut into 16mm in diameter and 8mm in thickness were used as experimental samples, they were scanned every two hours during sublimation. The scanning images were analyzed and measured, then variation curves of grey value and curves of sublimation rate in two directions were obtained. The moving rates of sublimation interface under various precooling rates and primary drying temperatures were compared. The results show that, heat and mass transfer happens both at the upper and the under surface of the sample. Also it happens at the side surface to some extent. The interface shows as a three-dimensional moving mode, contracts to the geometric centre of the sample and presents an approximately spheral shape. Apple samples frozen at low rate sublimated more quickly than those by high rate. While drying temperature was higher, the sublimation interface moved more quickly. Under slow precooling condition, the sublimation rate rose quickly near the end of sublimation not only in vertical direction, but in horizontal direction.

  20. The role of sublimation and condensation in the formation of ice sheet surface at Mizuho Station, Antarctica (United States)

    Fujii, Yoshiyuki; Kusunoki, Kou


    Three methods were used to determine the sublimation and condensation at Mizuho Station in 1977-1978, that is, direct observations with an evaporimeter filled with ice and repeated measurements of offset stakes and indirect estimation using an empirical formula derived from meteorological parameters. A comparison of three methods shows satisfactory agreement, especially in the weekly average of sublimation in the 1977-1978 summer, while condensation is insignificantly small. Condensation prevailed from the middle of April to the middle of September and sublimation in the remainder of 1977. The annual amounts of condensation and sublimation in 1977 are estimated to be 0.6 g cm-2 and 5.4 g cm-2, respectively. The daily amount of sublimation showed its maximum of 92 mg cm-2 on December 22, 1977, at the summer solstice. The annual amount of sublimation much affected the annual net accumulation of 5.8 g. The sublimation and condensation contributed in the formation of glazed surface consisting of multilayered ice crusts. This glazed surface is representative in the katabatic wind region in Mizuho Plateau, and the structure of the ice crust reflects the mass balance due to sublimation and condensation on both sides of the crust. Sublimation rate varies with the direction of the sloping faces of sastrugi, being the maximum on the north-facing slope, which receives the maximum solar radiation.

  1. Inverse problems with non-trivial priors: efficient solution through sequential Gibbs sampling

    DEFF Research Database (Denmark)

    Hansen, Thomas Mejer; Cordua, Knud Skou; Mosegaard, Klaus


    Markov chain Monte Carlo methods such as the Gibbs sampler and the Metropolis algorithm can be used to sample solutions to non-linear inverse problems. In principle, these methods allow incorporation of prior information of arbitrary complexity. If an analytical closed form description of the prior....... We propose an algorithm, called sequential Gibbs sampling, allowing the Metropolis algorithm to efficiently incorporate complex priors into the solution of an inverse problem, also for the case where no closed form description of the prior exists. First, we lay out the theoretical background...... for applying the sequential Gibbs sampler and illustrate how it works. Through two case studies, we demonstrate the application of the method to a linear image restoration problem and to a non-linear cross-borehole inversion problem. We demonstrate how prior information can reduce the complexity of an inverse...

  2. Numerical implementation and oceanographic application of the Gibbs thermodynamic potential of seawater (United States)

    Feistel, R.


    The 2003 Gibbs thermodynamic potential function represents a very accurate, compact, consistent and comprehensive formulation of equilibrium properties of seawater. It is expressed in the International Temperature Scale ITS-90 and is fully consistent with the current scientific pure water standard, IAPWS-95. Source code examples in FORTRAN, C++ and Visual Basic are presented for the numerical implementation of the potential function and its partial derivatives, as well as for potential temperature. A collection of thermodynamic formulas and relations is given for possible applications in oceanography, from density and chemical potential over entropy and potential density to mixing heat and entropy production. For colligative properties like vapour pressure, freezing points, and for a Gibbs potential of sea ice, the equations relating the Gibbs function of seawater to those of vapour and ice are presented.

  3. Numerical implementation and oceanographic application of the Gibbs thermodynamic potential of seawater

    Directory of Open Access Journals (Sweden)

    R. Feistel


    Full Text Available The 2003 Gibbs thermodynamic potential function represents a very accurate, compact, consistent and comprehensive formulation of equilibrium properties of seawater. It is expressed in the International Temperature Scale ITS-90 and is fully consistent with the current scientific pure water standard, IAPWS-95. Source code examples in FORTRAN, C++ and Visual Basic are presented for the numerical implementation of the potential function and its partial derivatives, as well as for potential temperature. A collection of thermodynamic formulas and relations is given for possible applications in oceanography, from density and chemical potential over entropy and potential density to mixing heat and entropy production. For colligative properties like vapour pressure, freezing points, and for a Gibbs potential of sea ice, the equations relating the Gibbs function of seawater to those of vapour and ice are presented.

  4. Variability of myocardial perfusion dark rim Gibbs artifacts due to sub-pixel shifts

    Directory of Open Access Journals (Sweden)

    Kellman Peter


    Full Text Available Abstract Background Gibbs ringing has been shown as a possible source of dark rim artifacts in myocardial perfusion studies. This type of artifact is usually described as transient, lasting a few heart beats, and localised in random segments of the myocardial wall. Dark rim artifacts are known to be unpredictably variable. This article aims to illustrate that a sub-pixel shift, i.e. a small displacement of the pixels with respect to the endocardial border, can result in different Gibbs ringing and hence different artifacts. Therefore a hypothesis for one cause of dark rim artifact variability is given based on the sub-pixel position of the endocardial border. This article also demonstrates the consequences for Gibbs artifacts when two different methods of image interpolation are applied (post-FFT interpolation, and pre-FFT zero-filling. Results Sub-pixel shifting of in vivo perfusion studies was shown to change the appearance of Gibbs artifacts. This effect was visible in the original uninterpolated images, and in the post-FFT interpolated images. The same shifted data interpolated by pre-FFT zero-filling exhibited much less variability in the Gibbs artifact. The in vivo findings were confirmed by phantom imaging and numerical simulations. Conclusion Unless pre-FFT zero-filling interpolation is performed, Gibbs artifacts are very dependent on the position of the subendocardial wall within the pixel. By introducing sub-pixel shifts relative to the endocardial border, some of the variability of the dark rim artifacts in different myocardial segments, in different patients and from frame to frame during first-pass perfusion due to cardiac and respiratory motion can be explained. Image interpolation by zero-filling can be used to minimize this dependency.

  5. Fast covariance estimation for innovations computed from a spatial Gibbs point process

    DEFF Research Database (Denmark)

    Coeurjolly, Jean-Francois; Rubak, Ege

    In this paper, we derive an exact formula for the covariance of two innovations computed from a spatial Gibbs point process and suggest a fast method for estimating this covariance. We show how this methodology can be used to estimate the asymptotic covariance matrix of the maximum pseudo......-likelihood estimate of the parameters of a spatial Gibbs point process model. This allows us to construct asymptotic confidence intervals for the parameters. We illustrate the efficiency of our procedure in a simulation study for several classical parametric models. The procedure is implemented in the statistical...

  6. Gibbs’ Paradox and the Definition of Entropy

    Directory of Open Access Journals (Sweden)

    Robert H. Swendsen


    Full Text Available Gibbs’ Paradox is shown to arise from an incorrect traditional definition of the entropy that has unfortunately become entrenched in physics textbooks. Among its flaws, the traditional definition predicts a violation of the second law of thermodynamics when applied to colloids. By adopting Boltzmann’s definition of the entropy, the violation of the second law is eliminated, the properties of colloids are correctly predicted, and Gibbs’ Paradox vanishes.

  7. The Gibbs-Thomson formula at small island sizes - corrections for high vapour densities


    Krishnamachari, Badrinarayan; McLean, James; Cooper, Barbara; Sethna, James


    In this paper we report simulation studies of equilibrium features, namely circular islands on model surfaces, using Monte-Carlo methods. In particular, we are interested in studying the relationship between the density of vapour around a curved island and its curvature-the Gibbs-Thomson formula. Numerical simulations of a lattice gas model, performed for various sizes of islands, don't fit very well to the Gibbs-Thomson formula. We show how corrections to this form arise at high vapour densi...

  8. Gibbs states of continuum particle systems with unbounded spins: Existence and uniqueness (United States)

    Conache, Diana; Daletskii, Alexei; Kondratiev, Yuri; Pasurek, Tanja


    We study an infinite system of particles chaotically distributed over a Euclidean space Rd. Particles are characterized by their positions x ∈Rd and an internal parameter (spin) σx∈Rm and interact via position-position and (position dependent) spin-spin pair potentials. Equilibrium states of such system are described by Gibbs measures on a marked configuration space. Due to the presence of unbounded spins, the model does not fit the classical (super-) stability theory of Ruelle. The main result of the paper is the derivation of sufficient conditions of the existence and uniqueness of the corresponding Gibbs measures.

  9. The Effect of CO2 Ice Cap Sublimation on Mars Atmosphere (United States)

    Batterson, Courtney


    Sublimation of the polar CO2 ice caps on Mars is an ongoing phenomenon that may be contributing to secular climate change on Mars. The transfer of CO2 between the surface and atmosphere via sublimation and deposition may alter atmospheric mass such that net atmospheric mass is increasing despite seasonal variations in CO2 transfer. My study builds on previous studies by Kahre and Haberle that analyze and compare data from the Phoenix and Viking Landers 1 and 2 to determine whether secular climate change is happening on Mars. In this project, I use two years worth of temperature, pressure, and elevation data from the MSL Curiosity rover to create a program that allows for successful comparison of Curiosity pressure data to Viking Lander pressure data so a conclusion can be drawn regarding whether CO2 ice cap sublimation is causing a net increase in atmospheric mass and is thus contributing to secular climate change on Mars.

  10. The sublime in the anthropic landscape by means of modern photography

    Directory of Open Access Journals (Sweden)

    María Antonia Blanco Arroyo


    Full Text Available This article expounds on a conceptual analysis of the sublime, employing the anthropic landscape as the field of study, and registering both projections within the discipline of photography. Therefore, a narrative is formulated with the photographic production from the last few decades, in order to address both sublime nature and the current day industrial sublime. The conceptual constants from several artistic discourses define the line of argument running through this article to establish a theoretical framework for human existence in today’s post-industrial landscape. The artists selected provide a crucial unifying thread permitting the evolution and transformation of universal concepts of landscape to be examined; providing us with an updated conceptualization of the relationship between humans and their altered environment.

  11. Numerical modeling and analytical modeling of cryogenic carbon capture in a de-sublimating heat exchanger (United States)

    Yu, Zhitao; Miller, Franklin; Pfotenhauer, John M.


    Both a numerical and analytical model of the heat and mass transfer processes in a CO2, N2 mixture gas de-sublimating cross-flow finned duct heat exchanger system is developed to predict the heat transferred from a mixture gas to liquid nitrogen and the de-sublimating rate of CO2 in the mixture gas. The mixture gas outlet temperature, liquid nitrogen outlet temperature, CO2 mole fraction, temperature distribution and de-sublimating rate of CO2 through the whole heat exchanger was computed using both the numerical and analytic model. The numerical model is built using EES [1] (engineering equation solver). According to the simulation, a cross-flow finned duct heat exchanger can be designed and fabricated to validate the models. The performance of the heat exchanger is evaluated as functions of dimensionless variables, such as the ratio of the mass flow rate of liquid nitrogen to the mass flow rate of inlet flue gas.

  12. Traumatic Sublime: Genealogy of the Term and Relation to Contemporary Art and Media

    Directory of Open Access Journals (Sweden)

    Sonja Jankov


    Full Text Available Prolonging the concept in art theory related to Andy Warhol’s art, whose (photographic series are characterized by “traumatic”, id est repetitive, operation of technique, Hal Foster introduces the term traumatic sublime to describe Bill Viola’s video works. The term relates not only to themes presented in the videos, but also to the media presenting them. Through his HD installation Ocean Without Shore at the 52nd Venice Biennale, Viola emphasised how important technical specifications of media are for his work, defining the colour saturation on the video with water curtains. This paper gives an overview of the technical evolution of Bill Viola’s works and of the term sublime, from Longinus, over Immanuel Kant, to Hal Foster and Jean-François Lyotard. It concludes that traumatic sublime can be related to several forms of new media art, not exclusively to Bill Viola’s work.

  13. A Homogenized Energy Model for Hysteresis in Ferroelectric Materials: General Density Formulation

    National Research Council Canada - National Science Library

    Smith, Ralph C; Hatch, Andrew; Mukhergee, Binu; Liu, Shifang


    ... homogenization techniques to construct macroscopic models. In the first step of the development, previous analysis is used to construct Helmholtz and Gibbs energy relations at the lattice level...

  14. Trans-modern AesthesiS In The Eurasian Borderlands And The Decolonial Anti-sublime


    Madina Tlostanova


    El artículo estudia la aesthesis transmoderna en relación con la agenda de liberar la esfera estética de los mitos de la modernidad occidental. La autora ofrece un resumen crítico de las principales corrientes estéticas occidentales frente al anti-sublime decolonial como modelo alternativo analizado en el artículo. Se presta especial atención al mecanismo de este sublime, fundado en una hermenéutica pluritópica y una “comunidad de sentido” decolonial que une a quienes fueron marcados por la “...

  15. How the sublime became "now": time, modernity and aesthetics in Lyotard's rewriting of Kant


    Cunningham, D.I.


    Writing in the late 1980s, Nancy gives as examples of the "recent fashion for the sublime" not only the theoreticians of Paris, but the artists of Los Angeles, Berlin, Rome, and Tokyo. At the beginning of the twenty-first century, the sublime may of course no longer seem quite so "now" as it did back then, whether in North America, Europe, or Japan. Simon Critchley, for one, has suggested that, at least as regards the issue of its conceptual coupling to "postmodernism," the "debate" concernin...

  16. A Continuous Flow Diffusion Chamber Study of Sea Salt Particles Acting as Cloud Seeds: Deliquescence, Ice Nucleation and Sublimation (United States)

    Kong, X.; Wolf, M. J.; Garimella, S.; Roesch, M.; Cziczo, D. J.


    Sea Salt Aerosols (SSA) are abundant in the atmosphere, and important to the Earth's chemistry and energy budget. However, the roles of sea salts in the context of cloud formation are still poorly understood, which is partially due to the complexity of the water-salt phase diagram. At ambient temperatures, even well below 0°C, SSA deliquesces at sub-water saturated conditions. Since the ratio of the partial pressure over ice versus super-cooled water continuously declines with decreasing temperatures, it is interesting to consider if SSA continues to deliquesce under a super-saturated condition of ice, or if particles act as depositional ice nuclei when a critical supersaturation is reached. Some recent studies suggest hydrated NaCl and simulated sea salt might deliquesce between -35°C to -44°C, and below that deposition freezing becomes possible. Deliquesced droplets can subsequently freeze via the immersion or homogenous freezing mode, depending on if the deliquescence processes is complete. After the droplets or ice particles are formed, it is also interesting to consider how the different processes influence physical properties after evaporation or sublimation. This data is important for climate modeling that includes bromine burst observed in Antarctica, which is hypothesized to be relevant to the sublimation of blowing snow particles. In this study we use a SPectrometer for Ice Nuclei (SPIN; DMT, Inc., Boulder, CO) to perform experiments over a wide range of temperature and RH conditions to quantify deliquescence, droplet formation and ice nucleation. The formation of droplets and ice particles is detected by an advanced Optical Particle Counter (OPC) and the liquid/solid phases are distinguished by a machine learning method based on laser scattering and polarization data. Using an atomizer, four different sea salt samples are generated: pure NaCl and MgCl2 solutions, synthetic seawater, and natural seawater. Downstream of the SPIN chamber, a Pumped

  17. Mass removal by oxidation and sublimation of porous graphite during fiber laser irradiation (United States)

    Phillips, Grady T.; Bauer, William A.; Fox, Charles D.; Gonzales, Ashley E.; Herr, Nicholas C.; Gosse, Ryan C.; Perram, Glen P.


    The various effects of laser heating of carbon materials are key to assessing laser weapon effectiveness. Porous graphite plates, cylinders, and cones with densities of 1.55 to 1.82 g/cm3 were irradiated by a 10-kW fiber laser at 0.075 to 3.525 kW/cm2 for 120 s to study mass removal and crater formation. Surface temperatures reached steady state values as high as 3767 K. The total decrease in sample mass ranged from 0.06 to 6.29 g, with crater volumes of 0.52 to 838 mm3, and penetration times for 12.7-mm-thick plates as short as 38 s. Minor contaminants in the graphite samples produced calcium and iron oxide to be redeposited on the graphite surface. Dramatic graphite crystalline structures are also produced at higher laser irradiances. Significantly increased porosity of the sample is observed even outside the laser-irradiated region. Total mass removed increases with deposited laser energy at a rate of 4.83 g/MJ for medium extruded graphite with an apparent threshold of 0.15 MJ. At ˜3.5 kW/cm2, the fractions of the mass removed from the cylindrical samples in the crater, surrounding trench, and outer region of decreased porosity are 38%, 47%, and 15%, respectively. Graphite is particularly resistant to damage by high power lasers. The new understanding of graphite combustion and sublimation during laser irradiation is vital to the more complex behavior of carbon composites.

  18. Gibbs vector kinematics and inverse dynamics for decoupled spacecraft attitude maneuvers (United States)

    Dwyer, T. A. W., III


    By use of Gibbs vectors as kinematic variables, multi-axial spacecraft equations of rotational motion are shown to be globally and rationally feedback-equivalent to a set of unconstrained and decoupled harmonic oscillators, driven by generalized acceleration commands. Advantages over alternative formulations with Euler angles and quaternions are pointed out.

  19. The Rush to Scholasticism - Or the Long Road to Critical Scholarship? Response to Graham Gibbs' Commentary (United States)

    Grant, Barbara


    Towards the end of his characteristically straightforward account of the landscape of educational development, Graham Gibbs announced: "I am skeptical about the value of the rush to scholasticism". Gibbs goes on to explain that he sees his most influential contribution to university teachers in his "practical manuals and…

  20. How to Kill a Journalism School: The Digital Sublime in the Discourse of Discontinuance (United States)

    McDevitt, Michael; Sindorf, Shannon


    The authors argue that journalism's uncertain identity in academia has made it vulnerable to unreflective instrumentalism in the digital era. They show how instrumentalism intertwined with the digital sublime constitutes a rhetorically resonate rationale for closing a journalism school. Evidence comes from documents and testimony associated with…

  1. Undergraduate Laboratory Experiment Facilitating Active Learning of Concepts in Transport Phenomena: Experiment with a Subliming Solid (United States)

    Utgikar, Vivek P.


    An experiment based on the sublimation of a solid was introduced in the undergraduate Transport Phenomena course. The experiment required the students to devise their own apparatus and measurement techniques. The theoretical basis, assignment of the experiment, experimental results, and student/instructor observations are described in this paper.…

  2. Estimation of Continental-Basin-Scale Sublimation in the Lena River Basin, Siberia

    Directory of Open Access Journals (Sweden)

    Kazuyoshi Suzuki


    Full Text Available The Lena River basin in Siberia produces one of the largest river inflows into the Arctic Ocean. One of the most important sources of runoff to the river is spring snowmelt and therefore snow ablation processes have great importance for this basin. In this study, we simulated these processes with fine resolution at basin scale using MicroMet/SnowModel and SnowAssim. To assimilate snow water equivalent (SWE data in SnowAssim, we used routine daily snow depth data and Sturm’s method. Following the verification of this method for SWE estimation in the basin, we evaluated the impact of snow data assimilation on basin-scale snow ablation. Through validation against MODIS snow coverage data and in situ snow survey observations, we found that SnowAssim could not improve on the original simulation by MicroMet/SnowModel because of estimation errors within the SWE data. Vegetation and accumulated snowfall control the spatial distribution of sublimation and we established that sublimation has an important effect on snow ablation. We found that the ratio of sublimation to snowfall in forests was around 26% and that interannual variation of sublimation modulated spring river runoff.

  3. Sublimation of natural amino acids and induction of asymmetry by meteoritic amino acids (United States)

    Tarasevych, Arkadii V.; Guillemin, Jean-Claude

    It is believed that the homochirality of building blocks of life like amino acids (AAs) and sugars is a prerequisite requirement for the origin and evolution of life. Among different mechanisms that might have triggered the initial disparity in the enantiomeric ratio on the primitive Earth, the key roles were assigned to: (i) local chiral symmetry breaking and (ii) the inflow of extraterrestrial matter (eg the carbonaceous meteorites containing non-racemic AAs). Recently it has been revealed that sublimation, a subject almost completely neglected for a long time, gives a pathway to enantioenrichment of natural AAs (1,2 and references herein). Sublimation is however one of the key physical processes that occur on comets. Starting from a mixture with a low content of an enantiopure AA, a partial sublimation gives an important enrichment of the sublimate (1,2). The resulted disparity in the ratio between enantiomers of a partial sublimate is determined by the crystalline nature of the starting mixture: we observed a drastic difference in the behavior of (i) mixtures based on true racemic compounds and (ii) mechanical mixtures of two enantiopure solid phases. On the other hand, combination of crystallization and sublimation can lead to segregation of enantioenriched fractions starting from racemic composition of sublimable aliphatic AAs (Ala, Leu, Pro, Val) in mixtures with non-volatile enantiopure ones (Asn, Asp, Glu, Ser, Thr) (3). The resulted sense of chirality correlates with the handedness of the non-volatile AAs: the observed changes in enantiomeric ratios clearly demonstrate the preferential homochiral interactions and a tendency of natural amino acids to homochiral self-organization. It is noteworthy that just these 5 (Asn, Asp, Glu, Ser, Thr) out of 22 proteinogenic amino acids are able to local symmetry breaking. On the other hand, recent data on the enantiomeric composition of the Tagish Lake, a C2-type carbonaceous meteorite, revealed a large L

  4. Glacier mass balance reconstruction by sublimation induced enrichment of chemical species on Cerro Tapado (Chilean Andes

    Directory of Open Access Journals (Sweden)

    P. Ginot


    Full Text Available A 36 m long ice core down to bedrock from the Cerro Tapado glacier (5536 m a.s.l, 30°08' S, 69°55' W was analyzed to reconstruct past climatic conditions for Northern Chile. Because of the marked seasonality in the precipitation (short wet winter and extended dry summer periods in this region, major snow ablation and related post-depositional processes occur on the glacier surface during summer periods. They include predominantly sublimation and dry deposition. Assuming that, like measured during the field campaign, the enrichment of chloride was always related to sublimation, the chemical record along the ice core may be applied to reconstruct the history of such secondary processes linked to the past climatic conditions over northern Chile. For the time period 1962–1999, a mean annual net accumulation of 316 mm water equivalent (weq and 327 mm weq loss by sublimation was deduced by this method. This corresponds to an initial total annual accumulation of 539 mm weq. The annual variability of the accumulation and sublimation is related with the Southern Oscillation Index (SOI: higher net-accumulation during El-Niño years and more sublimation during La Niña years. The deepest part of the ice record shows a time discontinuity; with an ice body deposited under different climatic conditions: 290 mm higher precipitation but with reduced seasonal distribution (+470 mm in winter and –180 mm in summer and –3°C lower mean annual temperature. Unfortunately, its age is unknown. The comparison with regional proxy data however let us conclude that the glacier buildup did most likely occur after the dry mid-Holocene.

  5. On Concentration Inequalities and Their Applications for Gibbs Measures in Lattice Systems (United States)

    Chazottes, J.-R.; Collet, P.; Redig, F.


    We consider Gibbs measures on the configuration space S^{Z^d}, where mostly d≥2 and S is a finite set. We start by a short review on concentration inequalities for Gibbs measures. In the Dobrushin uniqueness regime, we have a Gaussian concentration bound, whereas in the Ising model (and related models) at sufficiently low temperature, we control all moments and have a stretched-exponential concentration bound. We then give several applications of these inequalities whereby we obtain various new results. Amongst these applications, we get bounds on the speed of convergence of the empirical measure in the sense of Kantorovich distance, fluctuation bounds in the Shannon-McMillan-Breiman theorem, fluctuation bounds for the first occurrence of a pattern, as well as almost-sure central limit theorems.

  6. Improved prediction of MHC class I and class II epitopes using a novel Gibbs sampling approach

    DEFF Research Database (Denmark)

    Nielsen, Morten; Lundegaard, Claus; Worning, Peder


    , identifying the correct alignment is a crucial part of identifying the core of an MHC class II binding motif. In this context, we wish to describe a novel Gibbs motif sampler method ideally suited for recognizing such weak sequence motifs. The method is based on the Gibbs sampling method, and it incorporates...... novel features optimized for the task of recognizing the binding motif of MHC classes I and II. The method locates the binding motif in a set of sequences and characterizes the motif in terms of a weight-matrix. Subsequently, the weight-matrix can be applied to identifying effectively potential MHC...... binding peptides and to guiding the process of rational vaccine design. Results: We apply the motif sampler method to the complex problem of MHC class II binding. The input to the method is amino acid peptide sequences extracted from the public databases of SYFPEITHI and MHCPEP and known to bind...

  7. La libertad entre lo visible y lo invisible: límites y alcances de lo sublime katiano.

    Directory of Open Access Journals (Sweden)

    Ana María Amaya Villarreal .


    Full Text Available The following essay is a view of the Kantian refection on the sublime in light of an interpretation that understands the Critique of Judgement as a project that is born from a concern for the relationship that appears within the sensible and suprasensible dimension of the human being. Influenced by the view presented by Lyotard in Lessons on the analytics of the sublime, I explore some of the consequences brought on for the comprehension of Kantian morality and freedom by its contact with the category of the sublime.

  8. Sampling informative/complex a priori probability distributions using Gibbs sampling assisted by sequential simulation

    DEFF Research Database (Denmark)

    Hansen, Thomas Mejer; Mosegaard, Klaus; Cordua, Knud Skou


    Markov chain Monte Carlo methods such as the Gibbs sampler and the Metropolis algorithm can be used to sample the solutions to non-linear inverse problems. In principle these methods allow incorporation of arbitrarily complex a priori information, but current methods allow only relatively simple...... this algorithm with the Metropolis algorithm to obtain an efficient method for sampling posterior probability densities for nonlinear inverse problems....

  9. Entropy Calculation of Reversible Mixing of Ideal Gases Shows Absence of Gibbs Paradox

    Directory of Open Access Journals (Sweden)

    Oleg Borodiouk


    Full Text Available Abstract: We consider the work of reversible mixing of ideal gases using a real process. Now assumptions were made concerning infinite shifts, infinite number of cycles and infinite work to provide an accurate calculation of entropy resulting from reversible mixing of ideal gases. We derived an equation showing the dependence of this entropy on the difference in potential of mixed gases, which is evidence for the absence of Gibbs' paradox.

  10. A Gibbs sampler for Bayesian analysis of site-occupancy data (United States)

    Dorazio, Robert M.; Rodriguez, Daniel Taylor


    1. A Bayesian analysis of site-occupancy data containing covariates of species occurrence and species detection probabilities is usually completed using Markov chain Monte Carlo methods in conjunction with software programs that can implement those methods for any statistical model, not just site-occupancy models. Although these software programs are quite flexible, considerable experience is often required to specify a model and to initialize the Markov chain so that summaries of the posterior distribution can be estimated efficiently and accurately. 2. As an alternative to these programs, we develop a Gibbs sampler for Bayesian analysis of site-occupancy data that include covariates of species occurrence and species detection probabilities. This Gibbs sampler is based on a class of site-occupancy models in which probabilities of species occurrence and detection are specified as probit-regression functions of site- and survey-specific covariate measurements. 3. To illustrate the Gibbs sampler, we analyse site-occupancy data of the blue hawker, Aeshna cyanea (Odonata, Aeshnidae), a common dragonfly species in Switzerland. Our analysis includes a comparison of results based on Bayesian and classical (non-Bayesian) methods of inference. We also provide code (based on the R software program) for conducting Bayesian and classical analyses of site-occupancy data.

  11. Screening disrupted molecular functions and pathways associated with clear cell renal cell carcinoma using Gibbs sampling. (United States)

    Nan, Ning; Chen, Qi; Wang, Yu; Zhai, Xu; Yang, Chuan-Ce; Cao, Bin; Chong, Tie


    To explore the disturbed molecular functions and pathways in clear cell renal cell carcinoma (ccRCC) using Gibbs sampling. Gene expression data of ccRCC samples and adjacent non-tumor renal tissues were recruited from public available database. Then, molecular functions of expression changed genes in ccRCC were classed to Gene Ontology (GO) project, and these molecular functions were converted into Markov chains. Markov chain Monte Carlo (MCMC) algorithm was implemented to perform posterior inference and identify probability distributions of molecular functions in Gibbs sampling. Differentially expressed molecular functions were selected under posterior value more than 0.95, and genes with the appeared times in differentially expressed molecular functions ≥5 were defined as pivotal genes. Functional analysis was employed to explore the pathways of pivotal genes and their strongly co-regulated genes. In this work, we obtained 396 molecular functions, and 13 of them were differentially expressed. Oxidoreductase activity showed the highest posterior value. Gene composition analysis identified 79 pivotal genes, and survival analysis indicated that these pivotal genes could be used as a strong independent predictor of poor prognosis in patients with ccRCC. Pathway analysis identified one pivotal pathway - oxidative phosphorylation. We identified the differentially expressed molecular functions and pivotal pathway in ccRCC using Gibbs sampling. The results could be considered as potential signatures for early detection and therapy of ccRCC. Copyright © 2017 Elsevier Ltd. All rights reserved.

  12. Interatomic Lennard-Jones potentials of linear and branched alkanes calibrated by Gibbs ensemble simulations for vapor-liquid equilibria (United States)

    Chang, Jaeeon; Sandler, Stanley I.


    We propose Lennard-Jones potential parameters for interatomic interactions of linear and branched alkanes based on matching the results of Gibbs ensemble simulations of vapor-liquid equilibria to experimental data. The alkane model is similar as in the OPLS-AA [W. L. Jorgensen, D. S. Maxwell, and J. Tirado-Rives, J. Am. Chem. Soc. 118, 11225 (1996)], but multiple atom types for carbon based on the number of covalently bonded hydrogen atoms are necessary to accurately reproduce liquid densities and enthalpies of vaporization with the errors of 2.1% and 3.3%, respectively, for hydrocarbons of various chain lengths and structures. We find that the attraction energies of the carbon atoms are almost proportional to the number of covalent hydrogen atoms with each increasing the carbon energy parameter by ≈0.033 kcal/mol. Though the present force field outperforms the OPLS-AA force field for alkanes we studied, systematic deviations for vapor pressures are still observed with errors of 15%-30%, and critical temperatures are slightly underestimated. We think that these shortcomings are probably due to the inadequacy of the two-parameter Lennard-Jones potential, and especially its behavior at short distances.

  13. Thin single-walled carbon nanotubes with narrow chirality distribution: constructive interplay of plasma and Gibbs-Thomson effects. (United States)

    Ostrikov, Kostya Ken; Mehdipour, Hamid


    Multiscale, multiphase numerical modeling is used to explain the mechanisms of effective control of chirality distributions of single-walled carbon nanotubes in direct plasma growth and suggest effective approaches to further improvement. The model includes an unprecedented combination of the plasma sheath, ion/radical transport, species creation/loss, plasma-surface interaction, heat transfer, surface/bulk diffusion, graphene layer nucleation, and bending/lift-off modules. It is shown that the constructive interplay between the plasma and the Gibbs-Thomson effect can lead to the effective nucleation and lift-off of small graphene layers on small metal catalyst nanoparticles. As a result, much thinner nanotubes with narrower chirality distributions can nucleate at much lower process temperatures and pressures compared to thermal CVD. This approach is validated by a host of experimental results, substantially reduces the amounts of energy and atomic matter required for the nanotube growth, and can be extended to other nanoscale structures and materials systems, thereby nearing the ultimate goal of energy- and matter-efficient nanotechnology.

  14. Benchmarking ab initio binding energies of hydrogen-bonded molecular clusters based on FTIR spectroscopy

    DEFF Research Database (Denmark)

    Bork, Nicolai Christian; Du, Lin; Reiman, Heidi


    of the Gibbs free binding energies in molecular complexes and clusters based on gas phase FTIR spectroscopy. The acetonitrile-HCl molecular complex is identified via its redshifted H-Cl stretching vibrational mode. We determine the Gibbs free binding energy, ΔG°295 K, to between 4.8 and 7.9 kJ mol(-1...

  15. Fast crystalline ice formation at extremely low temperature through water/neon matrix sublimation. (United States)

    Hama, Tetsuya; Ishizuka, Shinnosuke; Yamazaki, Tomoya; Kimura, Yuki; Kouchi, Akira; Watanabe, Naoki; Sugimoto, Toshiki; Pirronello, Valerio


    Crystalline ice formation requires water molecules to be sufficiently mobile to find and settle on the thermodynamically most stable site. Upon cooling, however, diffusion and rearrangement become increasingly kinetically difficult. Water ice grown by the condensation of water vapor in laboratory is thus generally assumed to be in a metastable amorphous form below 100 K. Here, we demonstrate the possibility of crystalline ice formation at extremely low temperature using a water/neon matrix (1/1000, 30 000 monolayers) prepared at 6 K, which is subsequently warmed to 11-12 K. In situ infrared spectroscopy revealed the assembly of the dispersed water molecules, forming crystalline ice I during the sublimation of the neon matrix for 40-250 seconds. This finding indicates that the high mobility of the water molecules during matrix sublimation can overcome the kinetic barrier to form crystals even at extremely low temperature.

  16. Isothermal close space sublimation for II-VI semiconductor filling of porous matrices (United States)


    Isothermal close space sublimation, a simple and low-cost physical vapour transport technique, was used to infiltrate ZnTe and CdSe semiconductors in porous silicon. The structure of the embedded materials was determined by X-ray diffraction analysis while Rutherford backscattering spectra allowed determining the composition profiles of the samples. In both cases, a constant composition of the II-VI semiconductors throughout the porous layer down to the substrate was found. Resonance Raman scattering of the ZnTe samples indicates that this semiconductor grows in nanostructured form inside the pores. Results presented in this paper suggest that isothermal close space sublimation is a promising technique for the conformal growth of II-VI semiconductors in porous silicon. PMID:22823959

  17. Water Drops Dancing on Ice: How Sublimation Leads to Drop Rebound (United States)

    Antonini, C.; Bernagozzi, I.; Jung, S.; Poulikakos, D.; Marengo, M.


    Drop rebound is a spectacular event that appears after impact on hydrophobic or superhydrophobic surfaces but can also be induced through the so-called Leidenfrost effect. Here we demonstrate that drop rebound can also originate from another physical phenomenon, the solid substrate sublimation. Through drop impact experiments on a superhydrophobic surfaces, a hot plate, and solid carbon dioxide (commonly known as dry ice), we compare drop rebound based on three different physical mechanisms, which apparently share nothing in common (superhydrophobicity, evaporation, and sublimation), but lead to the same rebound phenomenon in an extremely wide temperature range, from 300°C down to even below -79°C. The formation and unprecedented visualization of an air vortex ring around an impacting drop are also reported.

  18. Darwin's sublime: the contest between reason and imagination in On the Origin of Species. (United States)

    Bradley, Benjamin Sylvester


    Recent Darwin scholarship has provided grounds for recognising the Origin as a literary as well as a scientific achievement. While Darwin was an acute observer, a gifted experimentalist and indefatigable theorist, this essay argues that it was also crucial to his impact that the Origin transcended the putative divide between the scientific and the literary. Analysis of Darwin's development as a writer between his journal-keeping on HMS Beagle and his construction of the Origin argues the latter draws on the pattern of the Romantic or Kantian sublime. The Origin repeatedly uses strategies which challenge the natural-theological appeal to the imagination in conceiving nature. Darwin's sublime coaches the Origin's readers into a position from which to envision nature that reduces and contains its otherwise overwhelming complexity. As such, it was Darwin's literary achievement that enabled him to fashion a new 'habit of looking at things in a given way' that is the centrepiece of the scientific revolution bearing his name.

  19. Spectroscopy of lithium atoms sublimated from isolation matrix of solid Ne. (United States)

    Sacramento, R L; Scudeller, L A; Lambo, R; Crivelli, P; Cesar, C L


    We have studied, via laser absorption spectroscopy, the velocity distribution of (7)Li atoms released from a solid neon matrix at cryogenic temperatures. The Li atoms are implanted into the Ne matrix by laser ablation of a solid Li precursor. A heat pulse is then applied to the sapphire substrate sublimating the matrix together with the isolated atoms at around 12 K. We find interesting differences in the velocity distribution of the released Li atoms from the model developed for our previous experiment with Cr [R. Lambo, C. C. Rodegheri, D. M. Silveira, and C. L. Cesar, Phys. Rev. A 76, 061401(R) (2007)]. This may be due to the sublimation regime, which is at much lower flux for the Li experiment than for the Cr experiment, as well as to the different collisional cross sections between those species to the Ne gas. We find a drift velocity compatible with Li being thermally sublimated at 11-13 K, while the velocity dispersion around this drift velocity is low, around 5-7 K. With a slow sublimation of the matrix we can determine the penetration depth of the laser ablated Li atoms into the Ne matrix, an important information that is not usually available in most matrix isolation spectroscopy setups. The present results with Li, together with the previous results with Cr suggest this to be a general technique for obtaining cryogenic atoms, for spectroscopic studies, as well as for trap loading. The release of the isolated atoms is also a useful tool to study and confirm details of the matrix isolated atoms which are masked or poorly understood in the solid. © 2011 American Institute of Physics


    Directory of Open Access Journals (Sweden)

    Elena Morgunova


    Full Text Available El artículo se centra en la argumentación de la estructura de la metáfora humorística del humor sublime garciamarqueño. Se abordan los mecanismos de la generación de la connotación axiológica a la luz de la indagación en el resquebrajamiento de las fronteras entre los distintos valores estéticos.

  1. Vapor pressures and sublimation enthalpies of seven heteroatomic aromatic hydrocarbons measured using the Knudsen effusion technique

    Energy Technology Data Exchange (ETDEWEB)

    Goldfarb, Jillian L., E-mail: [Division of Engineering, Brown University, Providence, RI 02912 (United States); Suuberg, Eric M., E-mail: Eric_Suuberg@brown.ed [Division of Engineering, Brown University, Providence, RI 02912 (United States)


    The vapor pressures of seven heteroatom-containing cyclic aromatic hydrocarbons, ranging in molecular weight from (168.19 to 208.21) g . mol{sup -1} were measured over the temperature range of (301 to 486) K using the isothermal Knudsen effusion technique. The compounds measured include: anthraquinone, 9-fluorenone, 9-fluorenone oxime, phenoxazine, phenoxathiin, and 9H-pyrido[3,4-b]indole. These solid-state sublimation measurements provided values that are compared to vapor pressures of parent aromatic compounds (anthracene and fluorene) and to others with substituent groups in order to examine the effects of alcohol, ketone, pyridine, and pyrrole functionality on this property. The enthalpies and entropies of sublimation for each compound were determined from the Clausius-Clapeyron equation. Though there is no consistent trend in terms of the effects of substitutions on changes in the enthalpy or entropy of sublimation, we note that the prevalence of enthalpic or entropic driving forces on vapor pressure depend on molecule-specific factors and not merely molecular weight of the substituents.

  2. Matrix sublimation/recrystallization for imaging proteins by mass spectrometry at high spatial resolution. (United States)

    Yang, Junhai; Caprioli, Richard M


    We have employed matrix deposition by sublimation for protein image analysis on tissue sections using a hydration/recrystallization process that produces high-quality MALDI mass spectra and high-spatial-resolution ion images. We systematically investigated different washing protocols, the effect of tissue section thickness, the amount of sublimated matrix per unit area, and different recrystallization conditions. The results show that an organic solvent rinse followed by ethanol/water rinses substantially increased sensitivity for the detection of proteins. Both the thickness of the tissue section and the amount of sinapinic acid sublimated per unit area have optimal ranges for maximal protein signal intensity. Ion images of mouse and rat brain sections at 50, 20, and 10 μm spatial resolution are presented and are correlated with hematoxylin and eosin (H&E)-stained optical images. For targeted analysis, histology-directed imaging can be performed using this protocol where MS analysis and H&E staining are performed on the same section.

  3. An Introduction to the DA-T Gibbs Sampler for the Two-Parameter Logistic (2PL) Model and beyond (United States)

    Maris, Gunter; Bechger, Timo M.


    The DA-T Gibbs sampler is proposed by Maris and Maris (2002) as a Bayesian estimation method for a wide variety of "Item Response Theory (IRT) models". The present paper provides an expository account of the DA-T Gibbs sampler for the 2PL model. However, the scope is not limited to the 2PL model. It is demonstrated how the DA-T Gibbs…

  4. Thermal Stability and Anisotropic Sublimation of Two-Dimensional Colloidal Bi2Te3 and Bi2Se3 Nanocrystals

    CERN Document Server

    Buha, Joka; Castillo, Antonio Esau Del Rio; Bonaccorso, Francesco; Manna, Liberato


    The structural and compositional stabilities of two dimensional 2D Bi2Te3 and Bi2Se3 nanocrystals, produced by both colloidal synthesis and by liquid phase exfoliation, were studied by in situ transmission electron microscopy TEM during annealing at temperatures between 350 and 500 C. The sublimation process induced by annealing is structurally and chemically anisotropic and takes place through the preferential dismantling of the prismatic 011-0 type planes, and through the preferential sublimation of Te or Se.

  5. A Modified Gibbs Free Energy Minimisation Model for Fluid Bed Coal Gasification

    National Research Council Canada - National Science Library

    Marek Ściążko; Leszek Stępień


    A modified approach to equilibrium modelling of coal gasification is presented, based on global thermodynamic analysis of both homogeneous and heterogeneous reactions occurring during a gasification...

  6. Teaching the Concept of Gibbs Energy Minimization through Its Application to Phase-Equilibrium Calculation (United States)

    Privat, Romain; Jaubert, Jean-Noe¨l; Berger, Etienne; Coniglio, Lucie; Lemaitre, Ce´cile; Meimaroglou, Dimitrios; Warth, Vale´rie


    Robust and fast methods for chemical or multiphase equilibrium calculation are routinely needed by chemical-process engineers working on sizing or simulation aspects. Yet, while industrial applications essentially require calculation tools capable of discriminating between stable and nonstable states and converging to nontrivial solutions,…

  7. Gibbs ensemble Monte Carlo simulation using an optimized potential model: pure acetic acid and a mixture of it with ethylene. (United States)

    Zhang, Minhua; Chen, Lihang; Yang, Huaming; Sha, Xijiang; Ma, Jing


    Gibbs ensemble Monte Carlo simulation with configurational bias was employed to study the vapor-liquid equilibrium (VLE) for pure acetic acid and for a mixture of acetic acid and ethylene. An improved united-atom force field for acetic acid based on a Lennard-Jones functional form was proposed. The Lennard-Jones well depth and size parameters for the carboxyl oxygen and hydroxyl oxygen were determined by fitting the interaction energies of acetic acid dimers to the Lennard-Jones potential function. Four different acetic acid dimers and the proportions of them were considered when the force field was optimized. It was found that the new optimized force field provides a reasonable description of the vapor-liquid phase equilibrium for pure acetic acid and for the mixture of acetic acid and ethylene. Accurate values were obtained for the saturated liquid density of the pure compound (average deviation: 0.84 %) and for the critical points. The new optimized force field demonstrated greater accuracy and reliability in calculations of the solubility of the mixture of acetic acid and ethylene as compared with the results obtained with the original TraPPE-UA force field.

  8. Small Mass Implies Uniqueness of Gibbs States of a Quantum Crystal

    CERN Document Server

    Albeverio, Sergio A; Kozitskii, Yu; Röckner, M


    A model of interacting quantum particles performing one-dimensional anharmonic oscillations around their equilibrium positions which form a lattice $\\mathbb{Z}^d$ is considered. For this model, it is proved that the set of tempered Euclidean Gibbs measures is a singleton provided the particle mass is less than a certain bound $m_*$, which is independent of the temperature $\\beta^{-1}$. This settles a problem that was open for a long time and is an essential improvement of a similar result proved before by the same authors \\cite{AKKR1}, where the bound $m_*$ depended on $\\beta$ in such a way that $m_* (\\beta) \\rightarrow 0$ as $\\beta \\rightarrow +\\infty$.


    Directory of Open Access Journals (Sweden)

    Manuel Ravest Mora


    Full Text Available El objeto de este breve trabajo es mostrar la disposición de Anthony Gibbs & Sons, y de sus filiales, a apoyar el proyecto monopólico salitrero del Perú con recursos monetarios y los manejos de sus directores en la única empresa que, dada su capacidad de elaboración, podía hacerlo fracasar: la Compañía de Salitres y Ferrocarril de Antofagasta, de la que Gibbs era el segundo mayor accionista. Para el gobierno chileno la causa primaria de la guerra de 1879 fue el intento del Perú por monopolizar la producción salitrera. Bolivia, su aliada secreta desde 1873, colaboró arrendándole y vendiéndole sus depósitos de nitrato, e imponiendo a la exportación del salitre un tributo que infringió la condición -estipulada en un Tratado de Límites- bajo la cual Chile le cedió territorio. Su recuperación manu militari inició el conflicto. A partir de la segunda mitad del siglo pasado esta tesis economicista-legalista fue cuestionada en Chile y en el exterior, desplazando el acento causal al reordenamiento de los mercados de materias primas -de las que los beligerantes eran exportadores- a consecuencia de la crisis mundial de la década de 1870.This brief study aims at showing Anthony Gibbs & Sons disposition in supporting the Peruvian monopolistic nitrate project with monetary resources and its Director's influences in the only company which, due its production's capacity, could make the project fail: the Chilean Antofagasta Nitrate and Railway Co. in which Gibbs was the second most important stockholder. According to Chilean government the primary cause of 1879's war was Peru's attempt to monopolize nitrate production. Bolivia, its secret allied since 1873, helped renting and selling him her nitrate fields and imposing a tax on the nitrate exports of the Chilean company in Antofagasta, thus violating the condition stated in a Border Treaty by which Chile had ceded territory. Its recovery through the use of military forcé was the first act

  10. Ordered rate constitutive theories for thermoviscoelastic solids without memory in Lagrangian description using Gibbs potential (United States)

    Surana, K. S.; Reddy, J. N.; Nunez, D.


    The paper presents rate constitutive theories for finite deformation of homogeneous, isotropic, compressible, and incompressible thermoviscoelastic solids without memory in Lagrangian description derived using the second law of thermodynamics expressed in terms of Gibbs potential Ψ. To ensure thermodynamic equilibrium during evolution, the rate constitutive theories must be derived using entropy inequality [as other three conservation and balance laws are do not provide a mechanism for deriving constitutive theories for the deforming matter (Surana in Advanced mechanics of continuua. in preparation, 2014)]. The two forms of the entropy inequality in Ψ derived using conjugate pairs , : first Piola-Kirchhoff stress tensor and material derivative of the Jacobian of deformation and , ; second Piola-Kirchhoff stress tensor and material derivative of Green's strain tensor are precisely equivalent as the conjugate pairs , and , are transformable from each other. In the present work, we use , as conjugate pair. Two possible choices of dependent variables in the constitutive theories: Ψ, η, , and Ψ, η, , (in which η is entropy density and is heat vector) are explored based on conservation and balance laws. It is shown that the choice of Ψ, η, , is essential when the entropy inequality is expressed in terms of Ψ. The arguments of these dependent variables are decided based on desired physics. Viscoelastic behavior requires considerations of at least and (or ) in the constitutive theories. We generalize and consider strain rates ; i = 0, 1, …, n-1 as arguments of the dependent variables in the derivations of the ordered rate theories of up to orders n. At the onset, , ; i = 0, 1, …, n-1, θ and are considered as arguments of Ψ, η, and . When is substituted in the entropy inequality, the resulting conditions eliminate η as a dependent variable, reduce arguments of some of the dependent variables in the constitutive theory etc. but do not provide a mechanism to

  11. Measuring Enthalpy of Sublimation of Volatiles by Means of Piezoelectric Crystal Microbalances (United States)

    Dirri, Fabrizio; Palomba, Ernesto; Longobardo, Andrea; Zampetti, Emiliano


    Piezoelectric Crystal Microbalances (PCM's) are widely used to study the chemical processes involving volatile compounds in any environment, such as condensation process. Since PCM's are miniaturized sensor, they are very suitable for planetary in situ missions, where can be used to detect and to measure the mass amount of astrobiologically significant compounds, such as water and organics. This work focuses on the realization and testing of a new experimental setup, able to characterize volatiles which can be found in a planetary environment. In particular the enthalpy of sublimation of some dicarboxylic acids has been measured. The importance of dicarboxylic acids in planetology and astrobiology is due to the fact that they have been detected in carbonaceous chondritic material (e.g. Murchinson), among the most pristine material present in our Solar System. In this work, a sample of acid was heated in an effusion cell up to its sublimation. For a set of temperatures (from 30 °C to 75 °C), the deposition rate on the PCM surface has been measured. From these measurements, it has been possible to infer the enthalpy of sublimation of Adipic acid, i.e. ΔH = 141.6 ± 0.8 kJ/mol and Succinic acid, i.e. ΔH = 113.3 ± 1.3 kJ/mol. This technique has so demonstrated to be a good choice to recognise a single compound or a mixture (with an analysis upstream) even if some improvements concerning the thermal stabilization of the system will be implemented in order to enhance the results' accuracy. The experiment has been performed in support of the VISTA (Volatile In Situ Thermogravimetry Analyzer) project, which is included in the scientific payload of the ESA MarcoPolo-R mission study.

  12. Wasting the Future: The Technological Sublime, Communications Technologies, and E-waste

    Directory of Open Access Journals (Sweden)

    Sebine Label


    Full Text Available Literally speaking, e-waste is the future of communications. E-waste is the fastest growing waste stream in the world, much of it communications technologies from cell phones to laptops, televisions to peripherals. As a result of policies of planned obsolescence working computers, cell phones, and tablets are routinely trashed. One of the most powerful and enduring discourses associated with emerging technologies is the technological sublime, in which technology is seen as intellectually, emotionally, or spiritually transcendent. It comprises a contradictory impulse that elevates technology with an almost religious fervor, while simultaneously overlooking some of the consequences of industrialism, as well as ignoring the necessity of social, economic, and governmental infrastructures necessary to the implementation and development of new technologies. The idea that a new technology will not pollute or harm the environment is a persistent, though often quickly passed over, theme in the technological sublime, echoed in discourses about emerging technologies such as the silicon chip, the internet, and other ICTs. In this paper, I make connections between the discourse of newness, the practice of planned obsolescence, and the mountains of trashed components and devices globally. Considering the global context demonstrates the realities of the penetration of ICTs and their enduring pollution and negative implications for the health of humans and nonhumans, including plants, animals, waterways, soil, air and so on. I use the discourse of the technological sublime to open up and consider the future of communications, to argue that this discourse not only stays with us but also contains within it two important and related components, the promise of ecological harmony and a future orientation. I argue that these lingering elements keep us from considering the real future of communications – e-waste – and that, as communications scholars, we must also

  13. Origin and effective reduction of inversion domains in aluminum nitride grown by a sublimation method (United States)

    Shigetoh, Keisuke; Horibuchi, Kayo; Nakamura, Daisuke


    Owing to the large differences in the chemical properties between Al and N polarities in aluminum nitride (AlN), the choice of the polar direction for crystal growth strongly affects not only the quality but also the shape (facet formation) of the grown crystal. In particular, N-polar (0 0 0 -1) has been considered to be a more preferable direction than Al-polar (0 0 0 1) for sublimation growth because compared to Al-polar (0 0 0 1), N-polar (0 0 0 -1) exhibits better stability at high growth rate (high supersaturation) conditions and enables easier lateral enlargement of the crystal. However, some critical growth conditions induce polarity inversion and hinder stable N-polar growth. Furthermore, the origin of the polarity inversion in AlN growth by the sublimation method is still unclear. To ensure stable N-polar growth without polarity inversion, the formation mechanism of the inversion domain during AlN sublimation growth must be elucidated. Therefore, herein, we demonstrate homoepitaxial growth on an N-polar seed and carefully investigate the obtained crystal that shows polarity inversion. Annular bright-field scanning transmission electron microscopy reveals that polarity is completely converted to the Al polarity via the formation of a 30 nm thick mixed polar layer (MPL) just above the seed. Moreover, three-dimensional atom probe tomography shows the segregation of the oxygen impurities in the MPL with a high concentration of about 3 atom%. Finally, by avoiding the incorporation of oxygen impurity into the crystal at the initial stage of the growth, we demonstrate an effective reduction (seven orders of magnitude) of the inversion domain boundary formation.

  14. Monte Carlo Molecular Simulation with Isobaric-Isothermal and Gibbs-NPT Ensembles

    KAUST Repository

    Du, Shouhong


    This thesis presents Monte Carlo methods for simulations of phase behaviors of Lennard-Jones fluids. The isobaric-isothermal (NPT) ensemble and Gibbs-NPT ensemble are introduced in detail. NPT ensemble is employed to determine the phase diagram of pure component. The reduced simulation results are verified by comparison with the equation of state by by Johnson et al. and results with L-J parameters of methane agree considerably with the experiment measurements. We adopt the blocking method for variance estimation and error analysis of the simulation results. The relationship between variance and number of Monte Carlo cycles, error propagation and Random Number Generator performance are also investigated. We review the Gibbs-NPT ensemble employed for phase equilibrium of binary mixture. The phase equilibrium is achieved by performing three types of trial move: particle displacement, volume rearrangement and particle transfer. The simulation models and the simulation details are introduced. The simulation results of phase coexistence for methane and ethane are reported with comparison of the experimental data. Good agreement is found for a wide range of pressures. The contribution of this thesis work lies in the study of the error analysis with respect to the Monte Carlo cycles and number of particles in some interesting aspects.

  15. Combining the AFLOW GIBBS and elastic libraries to efficiently and robustly screen thermomechanical properties of solids (United States)

    Toher, Cormac; Oses, Corey; Plata, Jose J.; Hicks, David; Rose, Frisco; Levy, Ohad; de Jong, Maarten; Asta, Mark; Fornari, Marco; Buongiorno Nardelli, Marco; Curtarolo, Stefano


    Thorough characterization of the thermomechanical properties of materials requires difficult and time-consuming experiments. This severely limits the availability of data and is one of the main obstacles for the development of effective accelerated materials design strategies. The rapid screening of new potential materials requires highly integrated, sophisticated, and robust computational approaches. We tackled the challenge by developing an automated, integrated workflow with robust error-correction within the AFLOW framework which combines the newly developed "Automatic Elasticity Library" with the previously implemented GIBBS method. The first extracts the mechanical properties from automatic self-consistent stress-strain calculations, while the latter employs those mechanical properties to evaluate the thermodynamics within the Debye model. This new thermoelastic workflow is benchmarked against a set of 74 experimentally characterized systems to pinpoint a robust computational methodology for the evaluation of bulk and shear moduli, Poisson ratios, Debye temperatures, Grüneisen parameters, and thermal conductivities of a wide variety of materials. The effect of different choices of equations of state and exchange-correlation functionals is examined and the optimum combination of properties for the Leibfried-Schlömann prediction of thermal conductivity is identified, leading to improved agreement with experimental results than the GIBBS-only approach. The framework has been applied to the data repositories to compute the thermoelastic properties of over 3500 unique materials. The results are now available online by using an expanded version of the REST-API described in the Appendix.

  16. Influence of Wilbraham-Gibbs Phenomenon on Digital Stochastic Measurement of EEG Signal Over an Interval

    Directory of Open Access Journals (Sweden)

    Sovilj P.


    Full Text Available Measurement methods, based on the approach named Digital Stochastic Measurement, have been introduced, and several prototype and small-series commercial instruments have been developed based on these methods. These methods have been mostly investigated for various types of stationary signals, but also for non-stationary signals. This paper presents, analyzes and discusses digital stochastic measurement of electroencephalography (EEG signal in the time domain, emphasizing the problem of influence of the Wilbraham-Gibbs phenomenon. The increase of measurement error, related to the Wilbraham-Gibbs phenomenon, is found. If the EEG signal is measured and measurement interval is 20 ms wide, the average maximal error relative to the range of input signal is 16.84 %. If the measurement interval is extended to 2s, the average maximal error relative to the range of input signal is significantly lowered - down to 1.37 %. Absolute errors are compared with the error limit recommended by Organisation Internationale de Métrologie Légale (OIML and with the quantization steps of the advanced EEG instruments with 24-bit A/D conversion

  17. Position Weight Matrix, Gibbs Sampler, and the Associated Significance Tests in Motif Characterization and Prediction

    Directory of Open Access Journals (Sweden)

    Xuhua Xia


    Full Text Available Position weight matrix (PWM is not only one of the most widely used bioinformatic methods, but also a key component in more advanced computational algorithms (e.g., Gibbs sampler for characterizing and discovering motifs in nucleotide or amino acid sequences. However, few generally applicable statistical tests are available for evaluating the significance of site patterns, PWM, and PWM scores (PWMS of putative motifs. Statistical significance tests of the PWM output, that is, site-specific frequencies, PWM itself, and PWMS, are in disparate sources and have never been collected in a single paper, with the consequence that many implementations of PWM do not include any significance test. Here I review PWM-based methods used in motif characterization and prediction (including a detailed illustration of the Gibbs sampler for de novo motif discovery, present statistical and probabilistic rationales behind statistical significance tests relevant to PWM, and illustrate their application with real data. The multiple comparison problem associated with the test of site-specific frequencies is best handled by false discovery rate methods. The test of PWM, due to the use of pseudocounts, is best done by resampling methods. The test of individual PWMS for each sequence segment should be based on the extreme value distribution.

  18. Det sublime og det skjønne som estetisk kvalitet i nyere norsk bildebokkritikk

    Directory of Open Access Journals (Sweden)

    Goga, Nina


    Full Text Available This article analyses a specific number of picture book reviews on prize-winning Norwegian picture books from 1998-2008. The subject for the analysis is to examine what kind of aesthetic thinking that is expressed in the reviewer’s judgement of the book. I found that it was possible to relate the reviews to two well established concepts in classic aesthetic theory, namely the concept of the beauty and the sublime. To illustrate this I have studied more exhaustive a smaller number of reviews on two different books

  19. Symptôme, sublimation, sexuation: les prolongements du symptôme

    Directory of Open Access Journals (Sweden)

    Geneviève More


    Full Text Available à partir du commentaire de Lacan sur Joyce, j'ai développé une thèse lacanienne fondamentale pour penser la transmission entre les générations avec un autre concept que celui de l'identification : le prolongement du symptôme. De plus, l'accent mis sur le sinthome par Lacan, n'empêche pas de situer la sublimation comme l'un des autres prolongements possibles du symptôme initial de Joyce.

  20. “Quedarán siempre las afueras”: hacia un nuevo sublime periférico

    Directory of Open Access Journals (Sweden)

    Cristina Gutiérrez Valencia


    Full Text Available Dentro de la variedad de poéticas en el actual panorama español hay un grupo de autores (Alberto Santamaría, García Casado, Mercedes Díaz Villarías y Fernández Mallo que, aunque diferentes, tienen en común un nuevo romanticismo de ascendencia americana caracterizado por la búsqueda de un nuevo sublime basado en lo periférico de su escenario y su nueva mirada sobre la realidad.

  1. Applicability of the Gibbs Adsorption Isotherm to the analysis of experimental surface-tension data for ionic and nonionic surfactants. (United States)

    Martínez-Balbuena, L; Arteaga-Jiménez, Araceli; Hernández-Zapata, Ernesto; Márquez-Beltrán, César


    The Gibbs Adsorption Isotherm equation is a two-dimensional analogous of the Gibbs-Duhem equation, and it is one of the cornerstones of interface science. It is also widely used to estimate the surface excess concentration (SEC) for surfactants and other compounds in aqueous solution, from surface tension measurements. However, in recent publications some authors have cast doubt on this method. In the present work, we review some of the best available surface tension experimental data, and compare estimations of the SEC, using the Gibbs isotherm method (GIM), to direct measurements reported in the literature. This is done for both nonionic and ionic surfactants, with and without added salt. Our review leads to the conclusion that the GIM has a very solid agreement with experiments, and that it does estimate accurately the SEC for surfactant concentrations smaller than the critical micellar concentration (CMC). Copyright © 2017 Elsevier B.V. All rights reserved.

  2. Trans-modern AesthesiS In The Eurasian Borderlands And The Decolonial Anti-sublime

    Directory of Open Access Journals (Sweden)

    Madina Tlostanova


    Full Text Available El artículo estudia la aesthesis transmoderna en relación con la agenda de liberar la esfera estética de los mitos de la modernidad occidental. La autora ofrece un resumen crítico de las principales corrientes estéticas occidentales frente al anti-sublime decolonial como modelo alternativo analizado en el artículo. Se presta especial atención al mecanismo de este sublime, fundado en una hermenéutica pluritópica y una “comunidad de sentido” decolonial que une a quienes fueron marcados por la “herida colonial”. El artículo se enfoca en la reformulación decolonial de problemáticas estéticas usuales, como la correlación de belleza y aesthesis, la relación de conocimiento y arte, de la esfera moral y la estética, etc. Finalmente, una larga sección se dedica a la aesthesis decolonial de la zona fronteriza euroasiática, los territorios en el Este (Asia Central y Sur (Cáucaso del continente euroasiático, que antes eran colonias rusas/soviéticas, y producen hoy instancias complejas de arte decolonial en las obras de Saule Suleymenova, Zorito Dorzhiev y otros.

  3. Sublimator Driven Coldplate Engineering Development Unit Test Results and Development of Second Generation SDC (United States)

    Stephan, Ryan A.; Sheth, Rubik B.


    The Sublimator Driven Coldplate (SDC) is a unique piece of thermal control hardware that has several advantages over a traditional thermal control scheme. The principal advantage is the possible elimination of a pumped fluid loop, potentially increasing reliability and reducing complexity while saving both mass and power. Furthermore, the Integrated Sublimator Driven Coldplate (ISDC) concept couples a coolant loop with the previously described SDC hardware. This combination allows the SDC to be used as a traditional coldplate during long mission phases. The previously developed SDC technology cannot be used for long mission phases due to the fact that it requires a consumable feedwater for heat rejection. Adding a coolant loop also provides for dissimilar redundancy on the Altair Lander ascent module thermal control system, which is the target application for this technology. Tests were performed on an Engineering Development Unit at NASA s Johnson Space Center to quantify and assess the performance of the SDC. Correlated thermal math models were developed to help explain the test data. The paper also outlines the preliminary results of an ISDC concept being developed.

  4. Verdad sublime y madre asesina en Christine V., versión de Marguerite Duras

    Directory of Open Access Journals (Sweden)

    Juliana González Holguín


    Full Text Available Todo relato es ficción, versión y, así mismo, verdad, bajo una u otra concepción de la misma, es decir, desde una perspectiva que se enfoca según la intención y la subjetividad de uno o más actores, de uno o más narradores. El texto de Marguerite Duras intitulado Sublime forcément sublime Christine V. involucra, por su contenido y su contexto, varias versiones que contrastan y se interrogan entre sí. La escritora se posiciona de tal manera que, a través de recursos propios del oficio literario, desentraña una verdad que puede no ajustarse a la realidad o al saber, pero que nos enfrenta a los límites de lo pulsional y lo ominoso.

  5. How drops bounce and dance on ice: the role of sublimating surfaces (United States)

    Antonini, Carlo; Bernagozzi, Ilaria; Jung, Stefan; Poulikakos, Dimos; Marengo, Marco; Laboratory of Thermodynamics in Emerging Technologies Team; Themal Physics Laboratory Team


    Drop rebound is a spectacular event that appears after impact on superhydrophobic surfaces, due to low drop-solid substrate adhesion, and on hot substrates in Leidenfrost conditions, thanks to a vapor layer forming at the liquid-substrate interface, caused by drop evaporation. However, at temperatures below water freezing temperature, i.e. 0C, even superhydrophobicity can get lost. In the present work, we demonstrate that drop rebound can also be originated by another physical phenomenon, i.e. the solid substrate sublimation, at temperatures as low as -79C. To prove this mechanism, drop impact experiments were conducted on solid carbon dioxide, commonly known as dry ice. Drop dynamics and rebound were analyzed, together with the cases of drop impacting on a superhydrophobic surface and on a hot plate, to show how three different physical mechanisms, which apparently share nothing in common, i.e. superhydrophobicity, evaporation and sublimation, can all lead to drop rebound, in an extremely wide temperature range, from 300C down to even below -79C. Additional glycol drop impact tests proved the independence of the observed phenomena from the chosen liquid. Finally, the formation and visualization of an air vortex ring around an impacting drop is also reported. The authors acknowledge funding from Regione Lombardia and European Community (Marie Curie Fellowship).

  6. Formulation and evaluation of fast dissolving tablets of cinnarizine using superdisintegrant blends and subliming material

    Directory of Open Access Journals (Sweden)

    Biswajit Basu


    Full Text Available The aim of this investigation was to develop fast dissolving tablet of cinnarizine. A combination of super disintegrants, i.e., sodium starch glycolate (SSG and crosscarmellose sodium (CCS were used along with camphor as a subliming material. An optimized concentration of camphor was added to aid the porosity of the tablet. A 3 2 full factorial design was applied to investigate the combined effect of two formulation variables: Amount of SSG and CCS. Infrared (IR spectroscopy was performed to identify the physicochemical interaction between drug and polymer. IR spectroscopy showed that there is no interaction of drug with polymer. In the present study, direct compression was used to prepare the tablets. The powder mixtures were compressed into tablet using flat face multi punch tablet machine. Camphor was sublimed from the tablet by exposing the tablet to vacuum drier at 60°C for 12 hours. All the formulations were evaluated for their characteristics such as average weight, hardness, wetting time, friability, content uniformity, dispersion time (DT, and dissolution rate. An optimized tablet formulation (F 9 was found to have good hardness of 3.30 ± 0.10 kg/cm 2 , wetting time of 42.33 ± 4.04 seconds, DT of 34.67 ± 1.53 seconds, and cumulative drug release of not less than 99% in 16 minutes.

  7. A Free Energy Model for Hysteresis Ferroelectric Materials

    National Research Council Canada - National Science Library

    Smith, Ralph C; Ounaies, Zoubeida; Seelecke, Stefan; Smith, Joshua


    .... In the first step of the model development, Helmholtz and Gibbs free energy relations are constructed at the lattice or domain level to quantify the relation between the field and polarization...

  8. Large Deviations for Gibbs Measures with Singular Hamiltonians and Emergence of Kähler-Einstein Metrics (United States)

    Berman, Robert J.


    In the present paper and the companion paper (Berman, Kähler-Einstein metrics, canonical random point processes and birational geometry. arXiv:1307.3634, 2015) a probabilistic (statistical-mechanical) approach to the construction of canonical metrics on complex algebraic varieties X is introduced by sampling "temperature deformed" determinantal point processes. The main new ingredient is a large deviation principle for Gibbs measures with singular Hamiltonians, which is proved in the present paper. As an application we show that the unique Kähler-Einstein metric with negative Ricci curvature on a canonically polarized algebraic manifold X emerges in the many particle limit of the canonical point processes on X. In the companion paper (Berman in 2015) the extension to algebraic varieties X with positive Kodaira dimension is given and a conjectural picture relating negative temperature states to the existence problem for Kähler-Einstein metrics with positive Ricci curvature is developed.

  9. A course on large deviations with an introduction to Gibbs measures

    CERN Document Server

    Rassoul-Agha, Firas


    This is an introductory course on the methods of computing asymptotics of probabilities of rare events: the theory of large deviations. The book combines large deviation theory with basic statistical mechanics, namely Gibbs measures with their variational characterization and the phase transition of the Ising model, in a text intended for a one semester or quarter course. The book begins with a straightforward approach to the key ideas and results of large deviation theory in the context of independent identically distributed random variables. This includes Cramér's theorem, relative entropy, Sanov's theorem, process level large deviations, convex duality, and change of measure arguments. Dependence is introduced through the interactions potentials of equilibrium statistical mechanics. The phase transition of the Ising model is proved in two different ways: first in the classical way with the Peierls argument, Dobrushin's uniqueness condition, and correlation inequalities and then a second time through the ...

  10. Empirical Statistical Power for Testing Multilocus Genotypic Effects under Unbalanced Designs Using a Gibbs Sampler

    Directory of Open Access Journals (Sweden)

    Chaeyoung Lee


    Full Text Available Epistasis that may explain a large portion of the phenotypic variation for complex economic traits of animals has been ignored in many genetic association studies. A Baysian method was introduced to draw inferences about multilocus genotypic effects based on their marginal posterior distributions by a Gibbs sampler. A simulation study was conducted to provide statistical powers under various unbalanced designs by using this method. Data were simulated by combined designs of number of loci, within genotype variance, and sample size in unbalanced designs with or without null combined genotype cells. Mean empirical statistical power was estimated for testing posterior mean estimate of combined genotype effect. A practical example for obtaining empirical statistical power estimates with a given sample size was provided under unbalanced designs. The empirical statistical powers would be useful for determining an optimal design when interactive associations of multiple loci with complex phenotypes were examined.

  11. Off-training-set error for the Gibbs and the Bayes optimal generalizers

    Energy Technology Data Exchange (ETDEWEB)

    Grossman, T.; Knill, E. [Los Alamos National Lab., NM (United States); Wolpert, D. [The Santa Fe Institute, Santa Fe, NM (United States)


    In this paper we analyze the average off-training-set behavior of the Bayes-optimal and Gibbs learning algorithms. We do this by exploiting the concept of refinement, which concerns the relationship between probability distributions. For non-uniform sampling distributions the expected off training-set error for both learning algorithms can rise with, training set size. However we show in this paper that for uniform sampling and either algorithm, the expected error is a non-increasing function of training set size. For uniform sampling distributions, we also characterize the priors for which the expected error of the Bayes-optimal algorithm stays constant. In addition we show that when the target function is fixed, expected off-training-set error can increase with training set size if and only if the expected error averaged over all targets decreases with training set size. Our results hold for arbitrary noise and arbitrary loss functions.

  12. Distance expanding random mappings, thermodynamical formalism, Gibbs measures and fractal geometry

    CERN Document Server

    Mayer, Volker; Skorulski, Bartlomiej


    The theory of random dynamical systems originated from stochastic differential equations. It is intended to provide a framework and techniques to describe and analyze the evolution of dynamical systems when the input and output data are known only approximately, according to some probability distribution. The development of this field, in both the theory and applications, has gone in many directions. In this manuscript we introduce measurable expanding random dynamical systems, develop the thermodynamical formalism and establish, in particular, the exponential decay of correlations and analyticity of the expected pressure although the spectral gap property does not hold. This theory is then used to investigate fractal properties of conformal random systems. We prove a Bowen’s formula and develop the multifractal formalism of the Gibbs states. Depending on the behavior of the Birkhoff sums of the pressure function we arrive at a natural classification of the systems into two classes: quasi-deterministic syst...

  13. Strong correlations between the exponent α and the particle number for a Renyi monoatomic gas in Gibbs' statistical mechanics (United States)

    Plastino, A.; Rocca, M. C.


    Appealing to the 1902 Gibbs formalism for classical statistical mechanics (SM)—the first SM axiomatic theory ever that successfully explained equilibrium thermodynamics—we show that already at the classical level there is a strong correlation between Renyi's exponent α and the number of particles for very simple systems. No reference to heat baths is needed for such a purpose.

  14. Studies of CdS/CdTe interface: Comparison of CdS films deposited by close space sublimation and chemical bath deposition techniques

    Energy Technology Data Exchange (ETDEWEB)

    Han, Jun-feng, E-mail: [Institut des Matériaux Jean Rouxel (IMN), Université de Nantes, UMR CNRS 6502, 2 rue de la Houssinière, BP 32229, 44322 Nantes Cedex 3 (France); Institute of Materials Science, Darmstadt University of Technology, Petersenstr. 23, 64287 Darmstadt (Germany); School of Physics, Beijing Institute of Technology, Beijing 100081 (China); Fu, Gan-hua; Krishnakumar, V.; Schimper, Hermann-Josef [Institute of Materials Science, Darmstadt University of Technology, Petersenstr. 23, 64287 Darmstadt (Germany); Liao, Cheng [Department of Physics, Peking University, Beijing 100871 (China); Jaegermann, Wolfram [Institute of Materials Science, Darmstadt University of Technology, Petersenstr. 23, 64287 Darmstadt (Germany); Besland, M.P. [Institut des Matériaux Jean Rouxel (IMN), Université de Nantes, UMR CNRS 6502, 2 rue de la Houssinière, BP 32229, 44322 Nantes Cedex 3 (France)


    The CdS layers were deposited by two different methods, close space sublimation (CSS) and chemical bath deposition (CBD) technique. The CdS/CdTe interface properties were investigated by transmission electron microscope (TEM) and X-ray photoelectron spectroscopy (XPS). The TEM images showed a large CSS-CdS grain size in the range of 70-80 nm. The interface between CSS-CdS and CdTe were clear and sharp, indicating an abrupt hetero-junction. On the other hand, CBD-CdS layer had much smaller grain size in the 5-10 nm range. The interface between CBD-CdS and CdTe was not as clear as CSS-CdS. With the stepwise coverage of CdTe layer, the XPS core levels of Cd 3d and S 2p in CSS-CdS had a sudden shift to lower binding energies, while those core levels shifted gradually in CBD-CdS. In addition, XPS depth profile analyses indicated a strong diffusion in the interface between CBD-CdS and CdTe. The solar cells prepared using CSS-CdS yielded better device performance than the CBD-CdS layer. The relationships between the solar cell performances and properties of CdS/CdTe interfaces were discussed. - Highlights: • Studies of CdS deposited by close space sublimation and chemical bath deposition • An observation of CdS/CdTe interface by transmission electron microscope • A careful investigation of CdS/CdTe interface by X ray photoelectron spectra • An easier diffusion at the chemical bath deposition CdS and CdTe interface.

  15. Testing and Model Correlation of Sublimator Driven Coldplate Coupons and EDU (United States)

    Leimkuehler, Thomas O.


    The Sublimator Driven Coldplate (SDC) is a unique piece of thermal control hardware that has several advantages over a more traditional thermal control system. The principal advantage is the possible elimination of a pumped fluid loop, potentially saving mass, power, and complexity. Because this concept relies on evaporative heat rejection techniques, it is primarily useful for short mission durations. Additionally, the concept requires a conductive path between the heat-generating component and the heat rejection device. Therefore, it is mostly a relevant solution for a vehicle with a relatively low heat rejection requirement and/or short transport distances. Tests were performed on coupons and an Engineering Development Unit (EDU) at NASA s Johnson Space Center to better understand the basic operational principles and to validate the analytical methods being used for the SDC development. This paper outlines the results of the SDC tests, the subsequent thermal model correlation, and a description of the SDC Engineering Development Unit test results.

  16. Optimized heat exchange in a CO2 de-sublimation process (United States)

    Baxter, Larry; Terrien, Paul; Tessier, Pascal; Hoeger, Christopher


    The present invention is a process for removing carbon dioxide from a compressed gas stream including cooling the compressed gas in a first heat exchanger, introducing the cooled gas into a de-sublimating heat exchanger, thereby producing a first solid carbon dioxide stream and a first carbon dioxide poor gas stream, expanding the carbon dioxide poor gas stream, thereby producing a second solid carbon dioxide stream and a second carbon dioxide poor gas stream, combining the first solid carbon dioxide stream and the second solid carbon dioxide stream, thereby producing a combined solid carbon dioxide stream, and indirectly exchanging heat between the combined solid carbon dioxide stream and the compressed gas in the first heat exchanger.

  17. Main-belt comets: sublimation-driven activity in the asteroid belt (United States)

    Hsieh, Henry H.


    Our knowledge of main-belt comets (MBCs), which exhibit comet-like activity likely due to the sublimation of volatile ices, yet orbit in the main asteroid belt, has increased greatly since the discovery of the first known MBC, 133P/Elst-Pizarro, in 1996, and their recognition as a new class of solar system objects after the discovery of two more MBCs in 2005. I review work that has been done over the last 10 years to improve our understanding of these enigmatic objects, including the development of systematic discovery methods and diagnostics for distinguishing MBCs from disrupted asteroids (which exhibit comet-like activity due to physical disruptions such as impacts or rotational destabilization). I also discuss efforts to understand the dynamical and thermal properties of these objects.

  18. Paths of the Sublime: Alain de Botton’s The Art of Travel

    Directory of Open Access Journals (Sweden)

    M.C.C. Mendes


    Full Text Available Bearing in mind the central place of literary, academic, and religious tourism in Cultural Studies and in Alain de Botton’s The Art of Travel (2002, the paper seeks: 1 to identify some remarkable travels of famous writers – the British Wordsworth; the French Karl-Joris Huysmans, Gustave Flaubert, and Charles Baudelaire; 2 to show that in the analysis of such authors’ itineraries (from Europe to the East, there is a search for cultural roots, a mapping of spaces and people, and a deconstruction of labels often related to the Other; 3 to point out that the tourist is also a storyteller, a protagonist, and a creator of fictional worlds; 4 to bring together literary tourism and artistic tourism, through the identification of allusions to other cultural events (painting, music, and architecture; 5 to characterize tourism as a literary and aesthetic experience of the Sublime.

  19. Formation of the molecular crystal structure during the vacuum sublimation of paracetamol (United States)

    Belyaev, A. P.; Rubets, V. P.; Antipov, V. V.; Bordei, N. S.


    The results from structural and thermal studies on the formation of molecular crystals during the vacuum sublimation of paracetamol from its vapor phase are given. It is established that the vapor-crystal phase transition proceeds in a complicated way as the superposition of two phase transitions: a first-order phase transition with a change in density, and a second-order phase transition with a change in ordering. It is shown that the latter is a smeared phase transition that proceeds with the formation of a pretransitional phase that is irreversibly dissipated during phase transformation, leading to the formation of crystals of the rhombic syngony. Data from differential scanning calorimetry and X-ray diffraction analysis are presented along with microphotographs.

  20. Taking a Hike and Hucking the Stout: The Troublesome Legacy of the Sublime in Outdoor Recreation

    Directory of Open Access Journals (Sweden)

    Georg Drennig


    Full Text Available As Henry Thoreau noted in the 1850s, the simple act of walking can be loaded with political and spiritual meaning. Today, taking a hike as an act of engaging in outdoor recreation is equally non-trivial, and therefore subject of the following analysis. As this paper argues, outdoors recreation is still influenced by the legacy of the Sublime and its construction of wilderness. This troublesome legacy means that the cultural self-representation of outdoor sports – and the practice itself – lays claim to the environment in ways that are socially and sometimes even ethni-cally exclusive. This essay uses William Cronon’s critique of the cultural constructedness of wilderness as a point of departure to see how Western notions of sublime nature have an impact on spatial practice. The elevation of specific parts of the environ-ment into the category of wilderness prescribes certain uses and meanings as na-ture is made into an antidote against the ills of industrial civilization, and a place where the alienated individual can return to a more authentic self. This view then has become a troublesome legacy, informing the cultural self-representation of those uses of “wilderness” that are known as outdoor recreation. In its cultural production, outdoors recreation constructs “healthy” and “athlet-ic” bodies exercising in natural settings and finding refuge from the everyday al-ienation of postmodern society. Yet these bodies are conspicuously white, and the obligatory equipment and fashion expensive. Outdoor recreation is a privileged assertion of leisure, often denoting an urban, affluent, and white, background of the practitioner. These practitioners then lay exclusive claim on the landscapes they use. As trivial as taking a hike or any other form of outdoors recreation may thus seem, they put a cultural legacy into practice that is anything but trivial.

  1. Mass spectrometric study of molecular and ionic sublimation of lanthanum triiodide

    Energy Technology Data Exchange (ETDEWEB)

    Dunaev, A.M., E-mail: [Research Institute of Thermodynamics and Kinetics, Ivanovo State University of Chemistry and Technology, Ivanovo 153000 (Russian Federation); Kudin, L.S.; Motalov, V.B.; Ivanov, D.A.; Butman, M.F. [Research Institute of Thermodynamics and Kinetics, Ivanovo State University of Chemistry and Technology, Ivanovo 153000 (Russian Federation); Krämer, K.W. [Department of Chemistry and Biochemistry, University of Bern, CH-3012 Bern (Switzerland)


    Graphical abstract: - Highlights: • Lanthanum triiodide was investigated by the Knudsen effusion mass spectrometry. • (LaI{sub 3}){sub n} molecules (n = 1–3) and [I(LaI{sub 3}){sub n}]{sup −} ions (n = 0–4) were registered in the saturated vapor. • The sublimation enthalpy was found by the second and third law of thermodynamics. • The enthalpies of ion-molecular reactions with cluster ions were calculated. • The electron work function of the crystalline LaI{sub 3} was obtained. - Abstract: The molecular and ionic composition of saturated vapor over lanthanum triiodide was studied by Knudsen effusion mass spectrometry. The (LaI{sub 3}){sub n} molecules (n = 1–3) and the [I(LaI{sub 3}){sub n}]{sup −} ions (n = 0–4) were observed. The partial pressures of the molecules were determined and the enthalpies of sublimation, Δ{sub s}H° (298.15 K) in kJ mol{sup −1}, in the form of monomers (304 ± 7), dimers (428 ± 25), and trimers (455 ± 50) were obtained by the second and third laws of thermodynamics. The enthalpy of formation, Δ{sub f}H° (298.15 K) in kJ mol{sup −1}, of the LaI{sub 3} (−376 ± 10), La{sub 2}I{sub 6} (−932 ± 25), La{sub 3}I{sub 9} (−1585 ± 50) molecules and the LaI{sub 4}{sup −} (−841 ± 24), La{sub 2}I{sub 7}{sup −} (−1486 ± 32) ions were determined. The electron work function, φ{sub e} = 3.5 ± 0.3 eV, for the LaI{sub 3} crystal was calculated from the thermochemical cycle.

  2. Formulation design and optimization of fast dissolving clonazepam tablets by sublimation method. (United States)

    Shirsand, S B; Suresh, Sarasija; Kusumdevi, V; Swamy, P V


    Fast dissolving tablets of clonazepam were prepared by sublimation method with a view to enhance patient compliance. A 3(2) full factorial design was applied to investigate the combined effect of two formulation variables: amount of croscarmellose sodium and camphor. Croscarmellose sodium (2-8% w/w) was used as superdisintegrant and camphor (20-40% w/w) was used as subliming agent, to increase the porosity of the tablets, since it helps water to penetrate into the tablets, along with directly compressible mannitol to enhance mouth feel. The tablets were evaluated for hardness, friability, thickness, drug content uniformity, in vitro dispersion time, wetting time and water absorption ratio. Based on in vitro dispersion time (approximately 11 s); the formulation containing 5% w/w croscarmellose sodium and 40% w/w camphor was found to be promising and tested for in vitro drug release pattern (in pH 6.8 phosphate buffer). Short-term stability (at 40°/75% relative humidity for 3 mo) and drug-excipient interaction. Surface response plots are presented to graphically represent the effect of independent variables on the in vitro dispersion time. The validity of the generated mathematical model was tested by preparing two extra-design checkpoints. The optimized tablet formulation was compared with conventional commercial tablet formulation for drug release profiles. This formulation showed nearly nine-fold faster drug release (t(50%) 1.8 min) compared to the conventional commercial tablet formulation (t(50%) 16.4 min). Short-term stability studies on the formulation indicated that there are no significant changes in drug content and in vitro dispersion time (P<0.05).

  3. The Sublime Corpse in Gertrudis Gomez de Avellaneda's Women's Journal "Album Cubano de lo Bueno y lo Bello" (1860) (United States)

    LaGreca, Nancy


    This article examines Gertrudis Gomez de Avellaneda's choice to include articles depicting the advanced decay of cadavers, which are simultaneously horrible and awesome, in her women's periodical "Album Cubano de lo Bueno y lo Bello". Background on Avellaneda's biography, women's print culture, and theories of the sublime provide a frame for the…

  4. Representing the sublime in the VIMAP and empirical aesthetics: Reviving Edmund Burke's A Philosophical Enquiry into the Origins of Our Ideas of the Sublime and Beautiful. Comment on "Move me, astonish me... delight my eyes and brain: The Vienna Integrated Model of top-down and bottom-up processes in Art Perception (VIMAP) and corresponding affective, evaluative, and neurophysiological correlates" by Matthew Pelowski et al. (United States)

    Hur, Y.-J.; McManus, I. C.


    This commentary considers the role of the sublime in the Vienna Integrated Model of Art Perception (VIMAP; Pelowski, Markey, Forster, Gerger, & Leder [17]), and suggest that it is not precisely conceptualised in the model. In part that reflects different views and usages of the sublime in the literature, and here it is recommended that Burke's [2] view of the sublime is used as a primary framework for empirical research on the sublime.

  5. Controlling the Gibbs phenomenon in noisy deconvolution of irregular multivariable input signals

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    Kumari Chandrawansa


    Full Text Available An example of inverse estimation of irregular multivariable signals is provided by picture restoration. Pictures typically have sharp edges and therefore will be modeled by functions with discontinuities, and they could be blurred by motion. Mathematically, this means that we actually observe the convolution of the irregular function representing the picture with a spread function. Since these observations will contain measurement errors, statistical aspects will be pertinent. Traditional recovery is corrupted by the Gibbs phenomenon (i.e., overshooting near the edges, just as in the case of direct approximations. In order to eliminate these undesirable effects, we introduce an integral Cesàro mean in the inversion procedure, leading to multivariable Fejér kernels. Integral metrics are not sufficiently sensitive to properly assess the quality of the resulting estimators. Therefore, the performance of the estimators is studied in the Hausdorff metric, and a speed of convergence of the Hausdorff distance between the graph of the input signal and its estimator is obtained.

  6. A formal derivation of the Gibbs entropy for classical systems following the Schroedinger quantum mechanical approach

    Energy Technology Data Exchange (ETDEWEB)

    Santillan, M [Cinvestav-IPN, Unidad Monterrey, Parque de Investigacion e Innovacion Tecnologica, Autopista Monterrey-Aeropuerto Km 10, 66600 Apodaca NL (Mexico); Zeron, E S [Departamento de Matematicas, Cinvestav-IPN, 07000 Mexico DF (Mexico); Rio-Correa, J L del [Departamento de Fisica, Universidad Autonoma Metropolitana Iztapalapa, 09340 Mexico DF (Mexico)], E-mail:, E-mail:, E-mail:


    In the traditional statistical mechanics textbooks, the entropy concept is first introduced for the microcanonical ensemble and then extended to the canonical and grand-canonical cases. However, in the authors' experience, this procedure makes it difficult for the student to see the bigger picture and, although quite ingenuous, the subtleness of the demonstrations to pass from the microcanonical to the canonical and grand-canonical ensembles is hard to grasp. In the present work, we adapt the approach used by Schroedinger to introduce the entropy definition for quantum mechanical systems to derive a classical mechanical entropy definition, which is valid for all ensembles and is in complete agreement with the Gibbs entropy. Afterwards, we show how the specific probability densities for the microcanonical and canonical ensembles can be obtained from the system macrostate, the entropy definition and the second law of thermodynamics. After teaching the approach introduced in this paper for several years, we have found that it allows a better understanding of the statistical mechanics foundations. On the other hand, since it demands previous knowledge of thermodynamics and mathematical analysis, in our experience this approach is more adequate for final-year undergraduate and graduate physics students.

  7. Paleocurrents in the Charlie-Gibbs Fracture Zone during the Late Quaternary (United States)

    Bashirova, L. D.; Dorokhova, E. V.; Sivkov, V. V.; Andersen, N.; Kuleshova, L. A.; Matul, A. G.


    Planktonic foraminiferal and ice-rafted debris count data, as well as the mean size of mineral particles of the 10-63 μm fraction (sortable silt, \\overline {SS} ) were used as a proxy for surface and near-bottom paleocurrent intensity variations. The data obtained support our hypothesis about turbiditic origin of the lower (80-370 cm) section of the studied AMK-4515 core. Stratigraphic subdivision of the upper section (0-80 cm) makes it possible to allocate two marine isotope stages (MIS) covering the last 27 ka. The main intervals of the North Atlantic Polar Front (PF) migrations were recorded: south of the modern PF position during early MIS 2 (24-27 ka) with PF presence in the study area during MIS 2 (20-24 ka); south of the study area during the last glacial maximum (18-20 ka). Influence of the near-bottom currents within the investigated interval led to beginning of the channel-related drift formation on the northern slope of the southern channel of the Charlie-Gibbs Fracture Zone. There is a weak relationship between intensity of near-bottom contour currents and long-term climatic cyclicity. However, intervals corresponding to Heinrich events coincide with decrease in bottom currents activity.

  8. Etude de quelques facteurs de croissance chez l'alevin de Salmo irideus Gibb

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    Full Text Available Les recherches décrites en cet article ont été effectuées sur de jeunes alevins de Salmo irideus Gibb. ; tous les facteurs de croissance furent identiques, hormis celui à étudier. Les expériences durèrent 93 jours. 1° Les vitamines A et B accélèrent sensiblement la croissance de l'alevin. 2° L'extrait sec de thyroïde joue le même rôle. 3° Le taux optimum d'oxygène dissous dans l'eau serait relativement faible (4 centimètres cubes par litre d'eau. 4° Une demi-obscurité est favorable à un bon développement de l'alevin. 5° L'augmentation de l'espace vital facilite la croissance. 6° Le sang défibriné liquide ne constitue pas un aliment.

  9. Development of Simulation Methods in the Gibbs Ensemble to Predict Polymer-Solvent Phase Equilibria (United States)

    Gartner, Thomas; Epps, Thomas; Jayaraman, Arthi

    Solvent vapor annealing (SVA) of polymer thin films is a promising method for post-deposition polymer film morphology control. The large number of important parameters relevant to SVA (polymer, solvent, and substrate chemistries, incoming film condition, annealing and solvent evaporation conditions) makes systematic experimental study of SVA a time-consuming endeavor, motivating the application of simulation and theory to the SVA system to provide both mechanistic insight and scans of this wide parameter space. However, to rigorously treat the phase equilibrium between polymer film and solvent vapor while still probing the dynamics of SVA, new simulation methods must be developed. In this presentation, we compare two methods to study polymer-solvent phase equilibrium-Gibbs Ensemble Molecular Dynamics (GEMD) and Hybrid Monte Carlo/Molecular Dynamics (Hybrid MC/MD). Liquid-vapor equilibrium results are presented for the Lennard Jones fluid and for coarse-grained polymer-solvent systems relevant to SVA. We found that the Hybrid MC/MD method is more stable and consistent than GEMD, but GEMD has significant advantages in computational efficiency. We propose that Hybrid MC/MD simulations be used for unfamiliar systems in certain choice conditions, followed by much faster GEMD simulations to map out the remainder of the phase window.

  10. Inverse RNA folding solution based on multi-objective genetic algorithm and Gibbs sampling method. (United States)

    Ganjtabesh, M; Zare-Mirakabad, F; Nowzari-Dalini, A


    In living systems, RNAs play important biological functions. The functional form of an RNA frequently requires a specific tertiary structure. The scaffold for this structure is provided by secondary structural elements that are hydrogen bonds within the molecule. Here, we concentrate on the inverse RNA folding problem. In this problem, an RNA secondary structure is given as a target structure and the goal is to design an RNA sequence that its structure is the same (or very similar) to the given target structure. Different heuristic search methods have been proposed for this problem. One common feature among these methods is to use a folding algorithm to evaluate the accuracy of the designed RNA sequence during the generation process. The well known folding algorithms take O(n(3)) times where n is the length of the RNA sequence. In this paper, we introduce a new algorithm called GGI-Fold based on multi-objective genetic algorithm and Gibbs sampling method for the inverse RNA folding problem. Our algorithm generates a sequence where its structure is the same or very similar to the given target structure. The key feature of our method is that it never uses any folding algorithm to improve the quality of the generated sequences. We compare our algorithm with RNA-SSD for some biological test samples. In all test samples, our algorithm outperforms the RNA-SSD method for generating a sequence where its structure is more stable.

  11. Detection of microcalcification with top-hat transform and the Gibbs random fields. (United States)

    Bharadwaj, Akshay S; Celenk, Mehmet


    Breast cancer is one of the most common causes of death in women aged 40 and above. Early detection of breast cancer has been one of the prime topics of research in biomedical engineering area. Micro-calcifications (MCs) are the indicators of early stages of breast cancer, and the detection of these MCs will, in turn, lead to diagnosis and treatment of breast cancer at its earliest stages. This paper proposes a new method to detect MCs in a digital mammogram. The approach starts with the segmentation of the digital mammogram to isolate the breast region, using fuzzy C means clustering algorithm. The segmented image is then further segmented using top-hat transform to localize the region of interest. A watershed transform is used to isolate the region of interest from rest of the image. The Gibbs random fields are employed to analyze the pixels in conjunction with the devised clique patterns and detect MCs in the image. A thresholding is performed on the processed image where the MCs are detected. The proposed algorithm is highly effective in reducing the region of interest to the region which has a high probability of finding a calcification or MC. It has an overall detection rate of 94.4% and accuracy of 88.2% with a false negative detection rate of 5.6%, respectively.

  12. A new Gibbs sampling based algorithm for Bayesian model updating with incomplete complex modal data (United States)

    Cheung, Sai Hung; Bansal, Sahil


    Model updating using measured system dynamic response has a wide range of applications in system response evaluation and control, health monitoring, or reliability and risk assessment. In this paper, we are interested in model updating of a linear dynamic system with non-classical damping based on incomplete modal data including modal frequencies, damping ratios and partial complex mode shapes of some of the dominant modes. In the proposed algorithm, the identification model is based on a linear structural model where the mass and stiffness matrix are represented as a linear sum of contribution of the corresponding mass and stiffness matrices from the individual prescribed substructures, and the damping matrix is represented as a sum of individual substructures in the case of viscous damping, in terms of mass and stiffness matrices in the case of Rayleigh damping or a combination of the former. To quantify the uncertainties and plausibility of the model parameters, a Bayesian approach is developed. A new Gibbs-sampling based algorithm is proposed that allows for an efficient update of the probability distribution of the model parameters. In addition to the model parameters, the probability distribution of complete mode shapes is also updated. Convergence issues and numerical issues arising in the case of high-dimensionality of the problem are addressed and solutions to tackle these problems are proposed. The effectiveness and efficiency of the proposed method are illustrated by numerical examples with complex modes.

  13. [MR brain image segmentation based on modified fuzzy C-means clustering using fuzzy GIbbs random field]. (United States)

    Liao, Liang; Lin, Tusheng; Li, Bi; Zhang, Weidong


    A modified algorithm using fuzzy Gibbs random field model and fuzzy c-means (FCM) clustering is proposed for segmentation of Magnetic resonance(MR) brain images. Spatial constraints using the definitions of homogeneity of cliques and fuzzy Gibbs clique potential are introduced in this algorithm. A new modified objective function , which is established by introducing the spatial constraints into the traditional intensity based FCM algorithm, leads to the establishment of new iterative formulas for membership matrix and centroids. This algorithm can improve the performance of corresponding traditional one by modifying the original intensity based segmentation model. Experiments on synthetic images and MR phantoms show the validation of the proposed algorithm, which is usually a better alternative for segmenting medical MR images corrupted by noise.

  14. Growth of ZnSe(1-x)Tex epilayers by isothermal closed space sublimation (United States)

    Larramendi, Erick M.; Gutiérrez Z-B, Karla; Arens, Christof; Woggon, Ulrike; Schikora, Detlef; Lischka, Klaus


    ZnSe(1-x)Tex (x ˜0.06) epilayers were grown on GaAs(001) substrates at 350 °C by isothermal closed space sublimation (ICSS) technique. The epitaxial growth was performed in low-pressure helium atmosphere (˜0.1 mbar) by sequential exposures of the substrate to vapors of a solid solution of selenium-tellurium and elemental zinc. The use of a mixed source is proposed in order to regulate the partial vapor pressure of the constituents by composition. Strain and composition of the ZnSe(1-x)Tex epilayers were extracted from high resolution x-ray reciprocal space mapping. Structural investigations show a reasonably good crystalline quality of the epilayers. Good reproducibility of composition and control of thickness were obtained although atomic layer epitaxy regimen was not achieved. A growth rate of 1.3 monolayers/cycle was ascribed to multilayer adsorption and the existence of an efficient transport of SeTe in graphite under thermodynamic conditions of ICSS. Both Raman and photoluminescence characterizations suggest the existence of random alloy epilayers with larger composition disorder in the mesoscopic scale than those obtained by molecular beam epitaxy.

  15. Laser Desorption Ionization Mass Spectrometry Imaging of Drosophila Brain Using Matrix Sublimation versus Modification with Nanoparticles. (United States)

    Phan, Nhu T N; Mohammadi, Amir Saeid; Dowlatshahi Pour, Masoumeh; Ewing, Andrew G


    Laser desorption ionization mass spectrometry (LDI-MS) is used to image brain lipids in the fruit fly, Drosophila, a common invertebrate model organism in biological and neurological studies. Three different sample preparation methods, including sublimation with two common organic matrixes for matrix-assisted laser desorption ionization (MALDI) and surface-assisted laser desorption ionization (SALDI) using gold nanoparticles, are examined for sample profiling and imaging the fly brain. Recrystallization with trifluoroacetic acid following matrix deposition in MALDI is shown to increase the incorporation of biomolecules with one matrix, resulting in more efficient ionization, but not for the other matrix. The key finding here is that the mass fragments observed for the fly brain slices with different surface modifications are significantly different. Thus, these approaches can be combined to provide complementary analysis of chemical composition, particularly for the small metabolites, diacylglycerides, phosphatidylcholines, and triacylglycerides, in the fly brain. Furthermore, imaging appears to be beneficial using modification with gold nanoparticles in place of matrix in this application showing its potential for cellular and subcellular imaging. The imaging protocol developed here with both MALDI and SALDI provides the best and most diverse lipid chemical images of the fly brain to date with LDI.


    Energy Technology Data Exchange (ETDEWEB)

    Drahus, Michał; Waniak, Wacław [Astronomical Observatory, Jagiellonian University, Kraków (Poland); Tendulkar, Shriharsh [Division of Physics, Mathematics and Astronomy, California Institute of Technology, Pasadena, CA (United States); Agarwal, Jessica [Max Planck Institute for Solar System Research, Göttingen (Germany); Jewitt, David [Department of Earth, Planetary and Space Sciences and Department of Physics and Astronomy, University of California at Los Angeles, Los Angeles, CA (United States); Sheppard, Scott S., E-mail: [Department of Terrestrial Magnetism, Carnegie Institution for Science, Washington, DC (United States)


    While having a comet-like appearance, P/2012 F5 (Gibbs) has an orbit native to the Main Asteroid Belt, and physically is a km-sized asteroid which recently (mid 2011) experienced an impulsive mass ejection event. Here we report new observations of this object obtained with the Keck II telescope on UT 2014 August 26. The data show previously undetected 200 m scale fragments of the main nucleus, and reveal a rapid nucleus spin with a rotation period of 3.24 ± 0.01 hr. The existence of large fragments and the fast nucleus spin are both consistent with rotational instability and partial disruption of the object. To date, many fast rotators have been identified among the minor bodies, which, however, do not eject detectable fragments at the present-day epoch, and also fragmentation events have been observed, but with no rotation period measured. P/2012 F5 is unique in that for the first time we detected fragments and quantified the rotation rate of one and the same object. The rapid spin rate of P/2012 F5 is very close to the spin rates of two other active asteroids in the Main Belt, 133P/Elst-Pizarro and (62412), confirming the existence of a population of fast rotators among these objects. But while P/2012 F5 shows impulsive ejection of dust and fragments, the mass loss from 133P is prolonged and recurrent. We believe that these two types of activity observed in the rapidly rotating active asteroids have a common origin in the rotational instability of the nucleus.

  17. Analysis of a Gibbs sampler method for model-based clustering of gene expression data. (United States)

    Joshi, Anagha; Van de Peer, Yves; Michoel, Tom


    Over the last decade, a large variety of clustering algorithms have been developed to detect coregulatory relationships among genes from microarray gene expression data. Model-based clustering approaches have emerged as statistically well-grounded methods, but the properties of these algorithms when applied to large-scale data sets are not always well understood. An in-depth analysis can reveal important insights about the performance of the algorithm, the expected quality of the output clusters, and the possibilities for extracting more relevant information out of a particular data set. We have extended an existing algorithm for model-based clustering of genes to simultaneously cluster genes and conditions, and used three large compendia of gene expression data for Saccharomyces cerevisiae to analyze its properties. The algorithm uses a Bayesian approach and a Gibbs sampling procedure to iteratively update the cluster assignment of each gene and condition. For large-scale data sets, the posterior distribution is strongly peaked on a limited number of equiprobable clusterings. A GO annotation analysis shows that these local maxima are all biologically equally significant, and that simultaneously clustering genes and conditions performs better than only clustering genes and assuming independent conditions. A collection of distinct equivalent clusterings can be summarized as a weighted graph on the set of genes, from which we extract fuzzy, overlapping clusters using a graph spectral method. The cores of these fuzzy clusters contain tight sets of strongly coexpressed genes, while the overlaps exhibit relations between genes showing only partial coexpression. GaneSh, a Java package for coclustering, is available under the terms of the GNU General Public License from our website at

  18. Synthesis of Monolithic Fe2O3-Al2O3 Composite Aerogels via Organic Solvent Sublimation Drying

    Directory of Open Access Journals (Sweden)

    Lili Ren


    Full Text Available Monolithic Fe2O3-Al2O3 composite aerogels have been prepared successfully via organic solvent sublimation drying method. The results show that a new phase forms when the right amount of ferric oxide is added to the alumina aerogel. From the TEM pictures we can see a shuttle-type structure with the length of about 15 nm forms, which leads to the high surface areas of composited aerogel.

  19. Modified sublimation to isolate phenanthrene-degrading bacteria of the genera Sphingomonas and Burkholderia from Xiamen oil port. (United States)

    Huang, X; Tian, Y; Luo, Y R; Liu, H J; Zheng, Wei; Zheng, T L


    Sublimation was developed by Alley and Brown (2000) in order to isolate bacterial strains that were capable of degrading water insoluble compounds. In this study, sublimation was modified by the use of nutritional agar plates, instead of mineral salt agar, to isolate phenanthrene-degrading bacteria from a mixed culture that had been enriched under the selective pressure of high phenanthrene content. Five strains were obtained with different morphology and degradation ability. Based on the 16S rDNA sequence, two of them were classified as species of the genus Sphingomonas; the others as species of the genus Burkholderia. Denaturing gradient gel electrophoresis (DGGE) was introduced to detect dynamic changes in the bacterial community during enrichment batch culture, and to determine any correlation between the five isolates and the phenanthrene-degrading consortium. The DGGE profile indicated that these five isolates corresponded to four dominant bands of the consortium. Compared to traditional means of isolation, we concluded that modified sublimation is effective and more convenient.


    Directory of Open Access Journals (Sweden)

    Topan Setiawan


    Full Text Available This study aimed to feel the subtle vibrations of a “project” of the ASEAN Economic Community (AEC, the human dimension and its culture. However AEC becomes part of the life history of the nations of Southeast Asia, particularly in the visible measures, such as economic growth, the economic stability of the region or the increasing of intra-regional trade volume. It means, that we feel it in the materialist dimension, or “vibrations” a “rough”. Besides, this study attempted to feel the euphoria of the other aspects. This paper will track a bit more deeply about Indonesian and its culture. Also there will be an effort to seek traces (perhaps disguised in regional sublimation materialism “project” by AEC. Strive to be this insight led to the discovery that regional sublimation Reviews their materialism, for the next attempt to pave the way consciousness. Also, how sublimation material, it is not exactly cornered people and cultures. Another invention is the reification of culture, which it is the manifestation, in the form of Materialization on social relations, by considering it as a thing freely. Similarly, it is forgetting the historical trail of goods/services. Search back on local wisdom, seems to be one way that can be taken.

  1. An eddy covariance study of a spruce beetle outbreak on summertime evapotranspiration and ecosystem CO2 exchange and winter sublimation dynamics (United States)

    Frank, John Michael

    failure due to the spruce beetle associated blue-stain fungi. In response, impacted spruce trees regulate their stomatal conductance and ecosystem photosynthesis declines slightly. A few years later these trees die and ecosystem photosynthesis falls by 50%. During winter, a Bayesian analysis shows a fundamental preference for ecosystem sublimation to originate from the canopy, which in combination with the loss of canopy and limited ability to intercept fresh snowfall, has led to substantially less total sublimation because of the outbreak. Because the ecosystem’s response to disturbance can be explained through physiological processes at the organism scale, this work provides an opportunity to test hypotheses about bottom up approaches and offers new insights into hydrological and ecological models. The anemometer error investigation and Bayesian analyses provide new tools to examine ecological phenomena that are uncertain or where no standard of “truth” is available. By demonstrating an ecosystem response that can be explained by the dominate species, implementing a two source energy and canopy mass model to explain ecosystem sublimation, investigating a prevalent error in the majority of eddy covariance systems, and advancing statistical analysis from which all of these processes can be inferred, this work as a whole is applicable to nearly all terrestrial ecosystem studies.

  2. First experimentally determined thermodynamic values of francium: hydration energy, energy of partitioning, and thermodynamic radius. (United States)

    Delmau, Lætitia H; Moine, Jérôme; Mirzadeh, Saed; Moyer, Bruce A


    The Gibbs energy of partitioning of Fr(+) ion between water and nitrobenzene has been determined to be 14.5 ± 0.6 kJ/mol at 25 °C, the first ever Gibbs energy of partitioning for francium in particular and the first ever solution thermodynamic quantity for francium in general. This value enabled the ionic radius and standard Gibbs energy of hydration for Fr(+) to be estimated as 173 pm and -251 kJ/mol, respectively, the former value being significantly smaller than previously thought. A new experimental method was established using a cesium dicarbollide as a cation-exchange agent, overcoming problems inherent to the trace-level concentrations of francium. The methodology opens the door to the study of the partitioning behavior of francium to other water-immiscible solvents and the determination of complexation constants for francium binding by receptor molecules.

  3. AdS/QCD, Light-Front Holography, and Sublimated Gluons

    Energy Technology Data Exchange (ETDEWEB)

    Brodsky, Stanley J.; /SLAC; de Teramond, Guy F.; /Costa Rica U.


    The gauge/gravity duality leads to a simple analytical and phenomenologically compelling nonperturbative approximation to the full light-front QCD Hamiltonian - 'Light-Front Holography', which provides a Lorentz-invariant first-approximation to QCD, and successfully describes the spectroscopy of light-quark meson and baryons, their elastic and transition form factors, and other hadronic properties. The bound-state Schroedinger and Dirac equations of the soft-wall AdS/QCD model predict linear Regge trajectories which have the same slope in orbital angular momentum L and radial quantum number n for both mesons and baryons. Light-front holography connects the fifth-dimensional coordinate of AdS space z to an invariant impact separation variable {zeta} in 3+1 space at fixed light-front time. A key feature is the determination of the frame-independent light-front wavefunctions of hadrons - the relativistic analogs of the Schroedinger wavefunctions of atomic physics which allow one to compute form factors, transversity distributions, spin properties of the valence quarks, jet hadronization, and other hadronic observables. One thus obtains a one-parameter color-confining model for hadron physics at the amplitude level. AdS/QCD also predicts the form of the non-perturbative effective coupling {alpha}{sub s}{sup AdS} (Q) and its {beta}-function with an infrared fixed point which agrees with the effective coupling a{sub g1} (Q{sup 2}) extracted from measurements of the Bjorken sum rule below Q{sup 2} < 1 GeV{sup 2}. This is consistent with a flux-tube interpretation of QCD where soft gluons with virtualities Q{sup 2} < 1 GeV{sup 2} are sublimated into a color-confining potential for quarks. We discuss a number of phenomenological hadronic properties which support this picture.

  4. Propafenone HCl fast dissolving tablets containing subliming agent prepared by direct compression method. (United States)

    Abd El Rasoul, Saleh; Shazly, Gamal A


    Propafenone HCl (PPH), an antiarrhythmic drug, has a bitter taste, short half-life, delayed drug dissolution and side effects. Thus, the purpose of this work is to develop orally fast dissolving tablets (OFDTs) containing PPH to provide a rapid drug dissolution and subsequently give rapid onset of action of PPH as an antiarrhythmic drug. Moreover, OFDTs of PPH reduce its side effects and improve its bioavailability. Propafenone HCl (PPH), an antiarrhythmic drug, has a bitter taste, short half-life, delayed drug dissolution and side effects. Direct compression method was used for the preparation of 15 formulations OFDTs containing PPH using directly compressible excipients, subliming agent and superdisintegrants. The prepared tablets were undergone physical characterization, in vitro dissolution and stability studies. All pre- and post-compression tests met the pharmacopoeia specifications. In vitro dissolution of the prepared PPH OFDTs exhibited high dissolution rate than compared to the marketed tablets. It was found that the tablets prepared by using the higher concentration of crospovidone were found to dissolute the drug at a faster rate when compared to other concentrations. A formula containing croscarmellose sodium showed the higher present of PPH dissolved as compared to the other formulations. It was concluded that PPH OFDTs were formulated successfully with acceptable physical and chemical properties with rapid disintegration in the oral cavity, rapid onset of action, and enhanced patient compliance. It was found that F10 showed good stability upon storage at 25 and 40 °C for 3 months. Formulation of PPH OFDTs can result in a significant improvement in the PPH bioavailability since the first pass metabolism will be avoided.

  5. Propafenone HCl fast dissolving tablets containing subliming agent prepared by direct compression method

    Directory of Open Access Journals (Sweden)

    Saleh Abd El Rasoul


    Full Text Available Propafenone HCl (PPH, an antiarrhythmic drug, has a bitter taste, short half-life, delayed drug dissolution and side effects. Thus, the purpose of this work is to develop orally fast dissolving tablets (OFDTs containing PPH to provide a rapid drug dissolution and subsequently give rapid onset of action of PPH as an antiarrhythmic drug. Moreover, OFDTs of PPH reduce its side effects and improve its bioavailability. Propafenone HCl (PPH, an antiarrhythmic drug, has a bitter taste, short half-life, delayed drug dissolution and side effects. Direct compression method was used for the preparation of 15 formulations OFDTs containing PPH using directly compressible excipients, subliming agent and superdisintegrants. The prepared tablets were undergone physical characterization, in vitro dissolution and stability studies. All pre- and post-compression tests met the pharmacopoeia specifications. In vitro dissolution of the prepared PPH OFDTs exhibited high dissolution rate than compared to the marketed tablets. It was found that the tablets prepared by using the higher concentration of crospovidone were found to dissolute the drug at a faster rate when compared to other concentrations. A formula containing croscarmellose sodium showed the higher present of PPH dissolved as compared to the other formulations. It was concluded that PPH OFDTs were formulated successfully with acceptable physical and chemical properties with rapid disintegration in the oral cavity, rapid onset of action, and enhanced patient compliance. It was found that F10 showed good stability upon storage at 25 and 40 °C for 3 months. Formulation of PPH OFDTs can result in a significant improvement in the PPH bioavailability since the first pass metabolism will be avoided.

  6. Energy

    CERN Document Server

    Graybill, George


    Unlock the mysteries of energy! Energy is more than ""the ability to do work""; we present these concepts in a way that makes them more accessible to students and easier to understand. The best way to understand energy is to first look at all the different kinds of energy including: What Is Energy, Mechanical Energy, Thermal, Sound Energy and Waves, as well as Light Energy.

  7. The effect of oxalic acid applied by sublimation on honey bee colony fitness: a comparison with amitraz

    Directory of Open Access Journals (Sweden)

    Ivana Papežíková


    Full Text Available Oxalic acid is one of the organic acids used for controlling Varroa destructor, a mite parasitizing the honey bee (Apis mellifera. The aim of this work was to examine the effect of oxalic acid applied by sublimation on honey bee colony fitness, and to compare it with the effect of amitraz, a routinely used synthetic acaricide. Bee colonies of equal strength were randomly divided into two groups. In December 2014, one group was treated with amitraz in the form of aerosol, and the second group was treated with oxalic acid applied by sublimation. The colonies were monitored over winter. Dead bees found at the bottom of the hive were counted regularly and examined microscopically for infection with Nosema sp. (Microsporidia. At the end of March 2015, living foragers from each hive were sampled and individually examined for Nosema sp. infection. Colony strength was evaluated at the beginning of April. No adverse effect of oxalic acid on colony strength was observed despite the fact that the total number of dead bees was non-significantly higher in the oxalic acid-treated group. Examination of dead bees for Nosema infection did not reveal significant differences in spore numbers between the experimental groups. There was a substantial difference in living individuals, however, with a significantly higher amount of spores per bee found in the amitraz-treated colonies compared to the oxalic acid-treated colonies. Compared to amitraz, oxalic acid applied by sublimation showed no adverse effects on bee colony fitness or on successful overwintering.

  8. Age and stability of sublimation till over buried glacier ice, inferred from 21Ne measurements, Ong Valley, Antarctica (United States)

    Bibby, T.; Putkonen, J.; Morgan, D. J.; Balco, G.


    Ong Valley, in the Central Transantarctic Mountains, contains three distinct glacial drifts deposited by past advances of the Argosy glacier into the valley. Massive ice occurs below two of the till deposits. Potentially, such buried ice under shallow regolith cover could provide access to past climate and biological records more easily than deep ice coring. We measured cosmic-ray produced 21Ne in these tills as a means of constraining the age and stability of the three drifts, as well as the ice below them. We collected samples in vertical profiles from two hand-dug sections through each drift. The pits from two drifts overlying buried ice extended to the buried ice surface. The hypothesis that these are sublimation tills implies that 21Ne concentrations are a function of i) any inheritance from prior exposure; ii) the age since emplacement of the ice and till; iii) the sublimation rate of the ice; and iv) the surface erosion rate of the till. 21Ne concentrations in the youngest drift are ca. 10 M atoms/g and invariant with depth, indicating that they are predominantly due to inheritance, and provide only a weak maximum age constraint of ca. 0.1 Mya. The two older drifts have surface 21Ne concentrations of 200-250 M atoms/ g and depth concentration profiles consistent with a sublimation till origin. Given that 21Ne concentrations in the deepest samples in each of the two older drifts provide an upper limit on the inherited 21Ne concentration, these imply minimum ages of 1 Mya for the middle drift and 1.6 Mya for the oldest. This implies a 1 Mya minimum age for the ice underlying the middle drift.

  9. Second-Order Derivatives of the Gibbs Energy for Liquid Mixtures of Alcohol + Heptane at Pressures up to 100 MPa (United States)

    Dzida, Marzena; Kaczmarczyk, Aleksandra


    Second-order thermodynamic derivative properties, such as isobaric thermal molar expansions, isothermal and adiabatic molar compressibilities, and isochoric molar heat capacities of (ethanol, decan-1-ol, 2-methyl-2-butanol) + heptane mixtures at pressures up to 100 MPa and in the temperature range from 293.15 K to 318.15 K were derived from experimental speed-of-sound u( T, p), density ρ( T, p = 0.1 MPa), and isobaric heat-capacity C p ( T, p = 0.1 MPa) data using appropriate thermodynamic relations. Excess values for the given properties were calculated according to the criterion of thermodynamic ideality of a mixture (Douhéret et al., Chem. Phys. Chem. 2, 148 (2001)), i.e., assuming that the chemical potential of component i in the ideal liquid mixture is equal to the chemical potential of component i in the mixture of perfect gases. The deviations from ideality for the mixtures under test have been explained in terms of the self-association of alcohols in solution which produces a strong departure from random mixing, the change in the non-specific interactions during mixing, and the packing effects.

  10. The effect of 2,2,2-trifluoroethanol on water studied by using third derivatives of Gibbs energy, G

    DEFF Research Database (Denmark)

    Ohgi, Hiroyo; Imamura, Hiroshi; Yonenaga, Kazuki


    and tert-butylalcohol (TBA), for example, gave a mixed message within the behavior of these third derivative quantities. We thus applied the 1-propanol (1P) probing methodology (Koga, Y. Phys. Chem. Chem. Phys. 2013, 15, 14548) that utilizes the fourth derivative in effect, and quantified the degree...

  11. Martin Gibbs (1922-2006): Pioneer of (14)C research, sugar metabolism & photosynthesis; vigilant Editor-in-Chief of Plant Physiology; sage Educator; and humanistic Mentor. (United States)

    Black, Clanton C


    The very personal touch of Professor Martin Gibbs as a worldwide advocate for photosynthesis and plant physiology was lost with his death in July 2006. Widely known for his engaging humorous personality and his humanitarian lifestyle, Martin Gibbs excelled as a strong international science diplomat; like a personal science family patriarch encouraging science and plant scientists around the world. Immediately after World War II he was a pioneer at the Brookhaven National Laboratory in the use of (14)C to elucidate carbon flow in metabolism and particularly carbon pathways in photosynthesis. His leadership on carbon metabolism and photosynthesis extended for four decades of working in collaboration with a host of students and colleagues. In 1962, he was selected as the Editor-in-Chief of Plant Physiology. That appointment initiated 3 decades of strong directional influences by Gibbs on plant research and photosynthesis. Plant Physiology became and remains a premier source of new knowledge about the vital and primary roles of plants in earth's environmental history and the energetics of our green-blue planet. His leadership and charismatic humanitarian character became the quintessence of excellence worldwide. Martin Gibbs was in every sense the personification of a model mentor not only for scientists but also shown in devotion to family. Here we pay tribute and honor to an exemplary humanistic mentor, Martin Gibbs.

  12. Energy

    CERN Document Server

    Foland, Andrew Dean


    Energy is the central concept of physics. Unable to be created or destroyed but transformable from one form to another, energy ultimately determines what is and isn''t possible in our universe. This book gives readers an appreciation for the limits of energy and the quantities of energy in the world around them. This fascinating book explores the major forms of energy: kinetic, potential, electrical, chemical, thermal, and nuclear.

  13. A centre-triggered magnesium fuelled cathodic arc thruster uses sublimation to deliver a record high specific impulse (United States)

    Neumann, Patrick R. C.; Bilek, Marcela; McKenzie, David R.


    The cathodic arc is a high current, low voltage discharge that operates in vacuum and provides a stream of highly ionised plasma from a solid conducting cathode. The high ion velocities, together with the high ionisation fraction and the quasineutrality of the exhaust stream, make the cathodic arc an attractive plasma source for spacecraft propulsion applications. The specific impulse of the cathodic arc thruster is substantially increased when the emission of neutral species is reduced. Here, we demonstrate a reduction of neutral emission by exploiting sublimation in cathode spots and enhanced ionisation of the plasma in short, high-current pulses. This, combined with the enhanced directionality due to the efficient erosion profiles created by centre-triggering, substantially increases the specific impulse. We present experimentally measured specific impulses and jet power efficiencies for titanium and magnesium fuels. Our Mg fuelled source provides the highest reported specific impulse for a gridless ion thruster and is competitive with all flight rated ion thrusters. We present a model based on cathode sublimation and melting at the cathodic arc spot explaining the outstanding performance of the Mg fuelled source. A further significant advantage of an Mg-fuelled thruster is the abundance of Mg in asteroidal material and in space junk, providing an opportunity for utilising these resources in space.

  14. La sublimación artística y su objeto // Artistic sublimation and its object

    Directory of Open Access Journals (Sweden)

    David González


    Full Text Available El presente artículo versa sobre la conceptualización de la sublimación artística en la obra freudiana y la enseñanza lacaniana, para dilucidar semejanzas y diferencias, re-actualizando el concepto en el plano de la discusión teórica. De esta manera se realiza un recorrido exploratorio del concepto en ambos autores. Desde una perspectiva psicoanalítica se redefinen los conceptos de objeto y la Cosa contenidos en la definición lacaniana de la sublimación. // This article deals with the conceptualization of artistic sublimation in Freud's work and Lacan's teaching in order to elucidate similarities and differences, and so it updates the concept in terms of the theoretical discussion. In that way, an exploratory route of the concept is carried out in both authors. From a psychoanalytic perspective, the concepts of object and Thing -contained in the Lacanian definition of sublimation- are redefined

  15. Scanning proximal microscopy study of the thin layers of silicon carbide-aluminum nitride solid solution manufactured by fast sublimation epitaxy

    Directory of Open Access Journals (Sweden)

    Tománek P.


    Full Text Available The objective of the study is a growth of SiC/(SiC1−x(AlNx structures by fast sublimation epitaxy of the polycrystalline source of (SiC1−x(AlNx and their characterisation by proximal scanning electron microscopy and atomic force microscopy. For that purpose optimal conditions of sublimation process have been defined. Manufactured structures could be used as substrates for wide-band-gap semiconductor devices on the basis of nitrides, including gallium nitride, aluminum nitride and their alloys, as well as for the production of transistors with high mobility of electrons and also for creation of blue and ultraviolet light emitters (light-emitted diodes and laser diodes. The result of analysis shows that increasing of the growth temperature up to 2300 K allows carry out sublimation epitaxy of thin layers of aluminum nitride and its solid solution.

  16. Variación de la energía libre de Gibbs de la caolinita en función de la cristalinidad y tamaño de partícula

    Directory of Open Access Journals (Sweden)

    La Iglesia, A.


    Full Text Available The effect of grinding on crystallinity, particle size and solubility of two samples of kaolinite was studied. The standard Gibbs free energies of formation of different ground samples were calculated from solubility measurements, and show a direct relationship between Gibbs free energy and particle size-crystallinity variation. Values of -3752.2 and -3776.4 KJ/mol. were determinated for ΔGºl (am and ΔGºl (crys of kaolinite, respectively. A new thermodinamic equation that relates ΔGºl to particle size is proposed. This equation can probably be extended to clay mineals.Se estudia el efecto de la molienda prolongada sobre la cristalinidad, tamaño de partícula y solubilidad de dos muestras de caolinita. Se ha calculado la energía libre estandar de formación del mineral a partir de medidas de solubilidad, encontrando una relación directa entre ΔGºl, y las variaciones de tamaño de partícula y cristalinidad de las muestras. Por extrapolación, se han obtenido los valores de -3752,0 y -3776,4 KJ/mol. para ΔGºl caolinita amorfa y cristalina. Se propone una ecuación termodinámica que relaciona ΔGºl y el tamaño de partícula de la caolinita; esta ecuación puede aplicarse también a otros minerales de la arcilla.

  17. Thermodynamic considerations about the crystallization for the dissolution: free energy of crystallization. Consideraciones termodinamicas sobre la cristalizacion a partir de disolucion: energia libre de cristalizacion

    Energy Technology Data Exchange (ETDEWEB)

    Torrent Burgues, J. (Departamento de Ingenieria Quimica, Universidad Politecnica de Cataluna, Tarrasa (Spain))


    A thermodynamic treatment has been used to obtain, with different degrees of approximation, the total change in the Gibbs energy for the crystallization of hydrated and non-hydrated solids. Different equations have been deduced and their degree of accuracy tested for several electrolytes. Calculations have been done to show the applicability of the change in the Gibbs energy for the simultaneous precipitation of electrolytes with different stoichiometry and a common ion. (Author) 17 refs.

  18. Acetogenesis in the energy-starved deep biosphere - a paradox?

    DEFF Research Database (Denmark)

    Lever, Mark


    for both energy production and biosynthesis coupled with the ability to use many organic precursors to produce the key intermediate acetyl CoA. This leads to the general conclusion that, beside Gibbs free energy yields, variables such as metabolic strategy and energetic cost of biosynthesis need...

  19. A Short Essay on the Uses of Free Energy (United States)

    Koutandos, Spyridon


    In this article we examine cases of more classical and less classical nature compared to results found by quantum mechanics and attribute a form of Free Energy discontinuity for each case within a boundary layer. The concept of a boundary layer is broadened as to include areas of first or second variations of the Gibbs free energy. It is…

  20. Asymptotic behavior of solutions of a free boundary problem modeling tumor spheroid with Gibbs-Thomson relation (United States)

    Wu, Junde; Zhou, Fujun


    In this paper we study a free boundary problem modeling the growth of solid tumor spheroid. It consists of two elliptic equations describing nutrient diffusion and pressure distribution within tumor, respectively. The new feature is that nutrient concentration on the boundary is less than external supply due to a Gibbs-Thomson relation and the problem has two radial stationary solutions, which differs from widely studied tumor spheroid model with surface tension effect. We first establish local well-posedness by using a functional approach based on Fourier multiplier method and analytic semigroup theory. Then we investigate stability of each radial stationary solution. By employing a generalized principle of linearized stability, we prove that the radial stationary solution with a smaller radius is always unstable, and there exists a positive threshold value γ* of cell-to-cell adhesiveness γ, such that the radial stationary solution with a larger radius is asymptotically stable for γ >γ*, and unstable for 0 < γ <γ*.

  1. Energy

    CERN Document Server

    Robertson, William C


    Confounded by kinetic energy? Suspect that teaching about simple machines isn t really so simple? Exasperated by electricity? If you fear the study of energy is beyond you, this entertaining book will do more than introduce you to the topic. It will help you actually understand it. At the book s heart are easy-to-grasp explanations of energy basics work, kinetic energy, potential energy, and the transformation of energy and energy as it relates to simple machines, heat energy, temperature, and heat transfer. Irreverent author Bill Robertson suggests activities that bring the basic concepts of energy to life with common household objects. Each chapter ends with a summary and an applications section that uses practical examples such as roller coasters and home heating systems to explain energy transformations and convection cells. The final chapter brings together key concepts in an easy-to-grasp explanation of how electricity is generated. Energy is the second book in the Stop Faking It! series published by NS...

  2. Sputnik Planitia, Pluto Convection Cell Surface Velocities of ~10 Centimeters per Year Based on Sublimation Pit Distribution (United States)

    Buhler, Peter Benjamin; Ingersoll, Andrew P.


    Sputnik Planitia, Pluto contains cellular landforms with areas on the order of a few 102-103 km2 that are likely the surface manifestation of convective overturn in a vast basin of nitrogen ice. The cells have sublimation pits on them, with smaller pits near their centers and larger pits near their edges. We map over 12,000 pits on seven cells and find that the pit radii increase by between 2.1 ± 0.4 and 5.9 ± 0.8 × 10-3 m per meter away from the cell center, depending on the cell. Due to finite data resolution, this is a lower bound on the size increase. Conservatively accounting for resolution effects yields upper bounds on the size vs. distance distribution of 4.2 ± 0.2 to 23.4 ± 1.5 × 10-3 m m-1. In order to convert the pit size vs. distance distribution into a pit age vs. distance distribution, we use an analytic model to calculate that pit radii grow via sublimation at a rate of 3.6 [+2.1,-0.6] × 10-4 m yr-1. Combined with the mapped distribution of pit radii, this yields surface velocities between 1.5 [+1.0,-0.2] and 6.2 [+3.4,-1.4] cm yr-1 for the slowest cell and surface velocities between 8.1 [+5.5,-1.0] and 17.9 [+8.9,-5.1] cm yr-1 for the fastest cell; the lower bound estimate for each cell accounts for resolution effects, while the upper bound estimate does not. These convection rates imply that the surface ages at the edge of cells reach approximately 4.2 to 8.9 × 105 yr, depending on the cell. The rates we find are comparable to rates of ~6 cm yr-1 that were previously obtained from modeling of the convective overturn in Sputnik Planitia [McKinnon, W.B. et al., 2016, Nature, 534(7605), 82-85]. Finally, we find that the minimum viscosity at the surface of the convection cells is of order 1016 to 1017 Pa s; we find that pits would relax away before sublimating to their observed radii of several hundred meters if the viscosity were lower than this value.

  3. The role of oxygen in CdS/CdTe solar cells deposited by close-spaced sublimation

    Energy Technology Data Exchange (ETDEWEB)

    Rose, D.H.; Levi, D.H.; Matson, R.J. [National Renewable Energy Lab., Golden, CO (United States)] [and others


    The presence of oxygen during close-spaced sublimation (CSS) of CdTe has been previously reported to be essential for high-efficiency CdS/CdTe solar cells because it increases the acceptor density in the absorber. The authors find that the presence of oxygen during CSS increases the nucleation site density of CdTe, thus decreasing pinhole density and grain size. Photoluminescence showed that oxygen decreases material quality in the bulk of the CdTe film, but positively impacts the critical CdS/CdTe interface. Through device characterization the authors were unable to verify an increase in acceptor density with increased oxygen. These results, along with the achievement of high-efficiency cells (13% AM1.5) without the use of oxygen, led the authors to conclude that the use of oxygen during CSS deposition of CdTe can be useful but is not essential.

  4. La estética de lo sublime en la sección El Jorullo de la Rusticatio Mexicana

    Directory of Open Access Journals (Sweden)

    Dorde Cuvardic García


    Full Text Available El ensayo presenta un análisis de la II sección de la obra Rusticatio Mexicana (1782, del escritor guatemalteco Rafael Landívar (1731-1793, desde la estética de la sublimidad. La narración que hace el autor de la erupción del volcán El jorullo sigue los procedimientos típicos del clasicismo, pero a la vez contribuye con la representación de la singularidad de América, desde la filosofía sensista, y según categorizaciones susceptibles de ser analizadas mediante las teorías estéticas de la sublimidad (Addison, Burke, Kant, que destacan la experiencia humana de lo sublime, que se observa en la naturaleza espectacular, en contraste con la experiencia de la belleza, apreciable en la obra de arte.

  5. Volatilization, transport and sublimation of metallic and non-metallic elements in high temperature gases at Merapi Volcano, Indonesia (United States)

    Symonds, R.B.; Rose, William I.; Reed, M.H.; Lichte, F.E.; Finnegan, David L.


    Condensates, silica tube sublimates and incrustations were sampled from 500-800??C fumaroles and lava samples were collected at Merapi Volcano, Indonesia in Jan.-Feb., 1984. With respect to the magma, Merapi gases are enriched by factors greater than 105 in Se, Re, Bi and Cd; 104-105 in Au, Br, In, Pb and W; 103-104 in Mo, Cl, Cs, S, Sn and Ag; 102-103 in As, Zn, F and Rb; and 1-102 in Cu, K, Na, Sb, Ni, Ga, V, Fe, Mn and Li. The fumaroles are transporting more than 106 grams/day ( g d) of S, Cl and F; 104-106 g/d of Al, Br, Zn, Fe, K and Mg; 103-104 g d of Pb, As, Mo, Mn, V, W and Sr; and less than 103 g d of Ni, Cu, Cr, Ga, Sb, Bi, Cd, Li, Co and U. With decreasing temperature (800-500??C) there were five sublimate zones found in silica tubes: 1) cristobalite and magnetite (first deposition of Si, Fe and Al); 2) K-Ca sulfate, acmite, halite, sylvite and pyrite (maximum deposition of Cl, Na, K, Si, S, Fe, Mo, Br, Al, Rb, Cs, Mn, W, P, Ca, Re, Ag, Au and Co); 3) aphthitalite (K-Na sulfate), sphalerite, galena and Cs-K. sulfate (maximum deposition of Zn, Bi, Cd, Se and In; higher deposition of Pb and Sn); 4) Pb-K chloride and Na-K-Fe sulfate (maximum deposition of Pb, Sn and Cu); and 5) Zn, Cu and K-Pb sulfates (maximum deposition of Pb, Sn, Ti, As and Sb). The incrustations surrounding the fumaroles are also chemically zoned. Bi, Cd, Pb, W, Mo, Zn, Cu, K, Na, V, Fe and Mn are concentrated most in or very close to the vent as expected with cooling, atmospheric contamination and dispersion. The highly volatile elements Br, Cl, As and Sb are transported primarily away from high temperature vents. Ba, Si, P, Al, Ca and Cr are derived from wall rock reactions. Incomplete degassing of shallow magma at 915??C is the origin of most of the elements in the Merapi volcanic gas, although it is partly contaminated by particles or wall rock reactions. The metals are transported predominantly as chloride species. As the gas cools in the fumarolic environment, it becomes saturated


    Directory of Open Access Journals (Sweden)

    A. A. Shevtsov


    Full Text Available The technics and a technique of experiment on studying kinetic laws of periodic process vacuum and freeze-drying of a fermental preparation inulinase is stated and the algorithm of a choice of optimum loading sublimator on the minimum size of specific power inputs is offered.

  7. Transport phenomena in the close-spaced sublimation deposition process for manufacture of large-area cadmium telluride photovoltaic panels: Modeling and optimization (United States)

    Malhotra, C. P.

    With increasing national and global demand for energy and concerns about the effect of fossil fuels on global climate change, there is an increasing emphasis on the development and use of renewable sources of energy. Solar cells or photovoltaics constitute an important renewable energy technology but the major impediment to their widespread adoption has been their high initial cost. Although thin-film photovoltaic semiconductors such as cadmium sulfide-cadmium telluride (CdS/CdTe) can potentially be inexpensively manufactured using large area deposition techniques such as close-spaced sublimation (CSS), their low stability has prevented them from becoming an alternative to traditional polycrystalline silicon solar cells. A key factor affecting the stability of CdS/CdTe cells is the uniformity of deposition of the thin films. Currently no models exist that can relate the processing parameters in a CSS setup with the film deposition uniformity. Central to the development of these models is a fundamental understanding of the complex transport phenomena which constitute the deposition process which include coupled conduction and radiation as well as transition regime rarefied gas flow. This thesis is aimed at filling these knowledge gaps and thereby leading to the development of the relevant models. The specific process under consideration is the CSS setup developed by the Materials Engineering Group at the Colorado State University (CSU). Initially, a 3-D radiation-conduction model of a single processing station was developed using the commercial finite-element software ABAQUS and validated against data from steady-state experiments carried out at CSU. A simplified model was then optimized for maximizing the steady-state thermal uniformity within the substrate. It was inferred that contrary to traditional top and bottom infrared lamp heating, a lamp configuration that directs heat from the periphery of the sources towards the center results in the minimum temperature

  8. Estrutura populacional de Petrolisthes armatus (Gibbes (Decapoda, Anomura, Porcellanidae da Ilha do Farol, Matinhos, Paraná, Brasil Population structure of Petrolisthes armatus (Gibbes (Decapoda, Anomura, Porcellanidae from Farol Isle, Matinhos, Paraná, Brazil

    Directory of Open Access Journals (Sweden)

    Edinulva Oliveira


    Full Text Available Population structure of the porcelain crab Petrolisthes armatus (Gibbes, 1850 from the rocky shore of the Farol isle (25º51'S, 48º32'W was carried out in the following aspects: annual fluctuation of the density, distribution of the developmental stages and sexes over year round, size composition and recruiting period of juveniles into the population. Monthly collections were made in the three sites of the midlittoral, from November/89 to April/91, with the aid of a trap. The air temperature ranged from 13ºC to 28ºC, that of the surface water from 16ºC lo 29ºC and the salinity of the surface water from 06.7‰ to 31.5‰. A total of 5.585 individuals of Petrolisthes armatus was collected, among which, 116 were in the megalopa stage, 1,579 juveniles, 830 immature males, 729 immature females, 1,161 mature males, 744 mature females and 426 ovigerous females. The population density ranged from 15.3 to 305.0 ind.m-2, with a peak in January. This density is the highest among the porcelain crab populations known from the literature. The species has continuous reproduction, but, there were two main cohorts in the year: summer one that was longer and more abundant and the winter one that was shorter and the less numerous.

  9. Mapping the phase diagram for neon to a quantum Lennard-Jones fluid using Gibbs ensemble simulations. (United States)

    Georgescu, Ionuţ; Brown, Sandra E; Mandelshtam, Vladimir A


    In order to address the issue of whether neon liquid in coexistence with its gas phase can be mapped to a quantum Lennard-Jones (LJ) fluid, we perform a series of simulations using Gibbs ensemble Monte Carlo for a range of de Boer quantum parameters Λ=ℏ/(σ√(mε)). The quantum effects are incorporated by implementing the variational gaussian wavepacket method, which provides an efficient numerical framework for estimating the quantum density at thermal equilibrium. The computed data for the LJ liquid is used to produce its phase diagram as a function of the quantum parameter, 0.065 ≤ Λ ≤ 0.11. These data are then used to fit the experimental phase diagram for neon liquid. The resulting parameters, ε = 35.68 ± 0.03 K and σ = 2.7616 ± 0.0005 Å (Λ = 0.0940), of the LJ pair potential are optimized to best represent liquid neon in coexistence with its gas phase for a range of physically relevant temperatures. This multi-temperature approach towards fitting and assessing a pair-potential is much more consistent than merely fitting a single data point, such as a melting temperature or a second virial coefficient.

  10. Periodic bedforms generated by sublimation on terrestrial and martian ice sheets under the influence of the turbulent atmospheric boundary layer (United States)

    Bordiec, Maï; Carpy, Sabrina; Perret, Laurent; Bourgeois, Olivier; Massé, Marion


    The redistribution of surface ice induced the wind flow may lead to the development and migration of periodic bedforms, or "ice ripples", at the surface of ice sheets. In certain cold and dry environments, this redistribution need not involve solid particle transport but may be dominated by sublimation and condensation, inducing mass transfers between the ice surface and the overlying steady boundary layer turbulent flow. These mass transfers diffuse the water vapour sublimated from the ice into the atmosphere and become responsible for the amplification and propagation of ripples in a direction perpendicular to their crests. Such ice ripples, 24 cm in wavelength, have been described in the so-called Blue Ice Areas of Antarctica. In order to understand the mechanisms that generate and develop these periodic bedforms on terrestrial glaciers and to evaluate the plausibility that similar bedforms may develop on Mars, we performed a linear stability analysis applied to a turbulent boundary layer flow perturbed by a wavy ice surface. The model is developed as follow. We first solve the flow dynamics using numerical methods analogous to those used in sand wave models assuming that the airflow is similar in both problems. We then add the transport/diffusion equation of water vapour following the same scheme. We use the Reynolds-averaged description of the equation with a Prandtl-like closure. We insert a damping term in the exponential formula of the Van Driest mixing length, depending on the pressure gradient felt by the flow and related to the thickness of the viscous sublayer at the ice-atmosphere interface. This formulation is an efficient way to properly represent the transitional regime under which the ripples grow. Once the mass flux of water vapour is solved, the phase shift between the ripples crests and the maximum of the flux can be deduced for different environments. The temporal evolution of the ice surface can be expressed from these quantities to infer the

  11. Sublimation pit distribution indicates convection cell surface velocities of ∼10 cm per year in Sputnik Planitia, Pluto (United States)

    Buhler, Peter B.; Ingersoll, Andrew P.


    The ∼106 km2 Sputnik Planitia, Pluto is the upper surface of a vast basin of nitrogen ice. Cellular landforms in Sputnik Planitia with areas in the range of a few × 102-103 km2 are likely the surface manifestation of convective overturn in the nitrogen ice. The cells have sublimation pits on them, with smaller pits near their centers and larger pits near their edges. We map pits on seven cells and find that the pit radii increase by between 2.1 ± 0.4 × 10-3 and 5.9 ± 0.8 × 10-3 m m-1 away from the cell center, depending on the cell. This is a lower bound on the size increase because of the finite resolution of the data. Accounting for resolution yields upper bounds on the size vs. distance distribution of between 4.2 ± 0.2 × 10-3 and 23.4 ± 1.5 × 10-3 m m-1. We then use an analytic model to calculate that pit radii grow via sublimation at a rate of 3.6-0.6+2.1 ×10-4 m yr-1, which allows us to convert the pit size vs. distance distribution into a pit age vs. distance distribution. This yields surface velocities between 1.5-0.2+1.0 and 6.2-1.4+3.4 cm yr-1 for the slowest cell and surface velocities between 8.1-1.0+5.5 and 17.9-5.1+8.9 cm yr-1 for the fastest cell. These convection rates imply that the surface ages at the edge of cells reach ∼4.2-8.9 × 105 yr. The rates are comparable to rates of ∼6 cm yr-1 that were previously obtained from modeling of the convective overturn in Sputnik Planitia (McKinnon et al., 2016). Finally, we investigate the surface rheology of the convection cells and estimate that the minimum ice viscosity necessary to support the geometry of the observed pits is of order 1016-1017 Pa s, based on the argument that pits would relax away before growing to their observed radii of several hundred meters if the viscosity were lower than this value.

  12. HMT production and sublimation during thermal process of cometary organic analogs. Implications for its detection with the ROSETTA instruments (United States)

    Briani, Giacomo; Fray, Nicolas; Cottin, Hervé; Benilan, Yves; Gazeau, Marie-Claire; Perrier, Sebastien


    One important component of refractory organic residues synthesized from interstellar/cometary ice analogues is hexamethylenetetramine (HMT, C6H12N4). However, HMT has never been observed in any astrophysical or planetary environment so far. We investigated thermal evolution of HMT above ambient temperature. The synthesis of the organic residue (ice deposition, photolysis and warming) as well as its heating to temperatures higher than 300 K are performed by means of the same experimental apparatus. The later also allows in situ continuous monitoring of both the solid organic residue (by FTIR spectrometry) and of the gas species (by mass spectrometry). Two different ice mixtures, composed of H2O:CH3OH:NH3 = 10:1:1 and H2O:CH3OH:NH3:CO2 = 10:1:1:2, were deposited and simultaneously photolyzed at 29 K. Warming these photolyzed ices up to 300 K allows the production of refractory organic residues. At 300 K the organic residues clearly show the presence of HMT, but also some difference, in particular in their oxygenated components. Different evolutions of the organic residues are observed for temperatures >300 K. We characterized the organic residue thermal evolution for temperatures up to 500 K. We observed that HMT is still produced at temperatures higher than 300 K. Production of solid HMT and sublimation are simultaneous. HMT observed in the solid phase could be only a minor fraction of the total HMT production, the major fraction being sublimated. The kinetics of the HMT thermal evolution strongly depends on the organic residue composition at 300 K and seems to depend on the exact nature of the oxygenated fraction of the organic residue. The maximum temperature at which solid HMT is observed is 450 K. As HMT forms only for temperatures greater than 280 K in laboratory conditions, it implies that the detection of solid HMT in extraterrestrial samples will provide a strong indication of their thermal history. Consequently, the search for HMT in both solid cometary

  13. A random energy model for size dependence : recurrence vs. transience

    NARCIS (Netherlands)

    Külske, Christof


    We investigate the size dependence of disordered spin models having an infinite number of Gibbs measures in the framework of a simplified 'random energy model for size dependence'. We introduce two versions (involving either independent random walks or branching processes), that can be seen as

  14. The Negative Sublime in Coleridge’s Later Poetry; The Irreducibility of Difference

    Directory of Open Access Journals (Sweden)

    Nurten Birlik


    Full Text Available Abstract The poetic persona cannot form “a fair luminous light” embracing the Earth, that is, he cannot activate his creative energy. In Coleridge's other poems what triggers this energy is Joy and then the mystical power of nature. In this poem his imagination is imprisoned in his consciousness as he cannot feel Joy and the mystical power of nature cannot reconcile the binary oppositions. In his earlier poems nature was a book waiting to be deciphered and Coleridge could read the symbolic language of nature, whereas now, in the absence of Joy, this language is no more accessible to Coleridge and he thematizes the anxiety of this impasse in the poem. As a result, he cannot read the symbols that would make nature into Nature. In other words, he can perceive nature only as empirical reality and cannot perceive what lies beyond or within. This impasse is at the same time a re-formation of the rupture between subject and object that he managed to annihilate in his earlier poems.

  15. On the isothermal closed space sublimation growth of CdSe using a mixed source for selenium (United States)

    Larramendi, Erick M.; Karla Gutiérrez, Z.-B.; de Melo, Osvaldo; Woggon, Ulrike; Schikora, Detlef; Lischka, Klaus


    The use of a selenium-tellurium (SeTe) mixed source in the isothermal close space sublimation growth of CdSe epilayers is considered. The epitaxial growth was performed in flowing helium by sequential exposures of the substrate to vapors of the mixed SeTe source and elemental cadmium at temperatures within 350-410 °C. In spite of the mixed source (proposed to decrease the partial pressure of Se), tellurium incorporation was small and CdSe xTe (1- x) ( x˜0.98) epilayers were obtained. X-ray diffraction reciprocal space mapping shows the existence of hexagonal inclusions mainly on the (1 1 1) facets of the cubic phase. Material deposition on areas of the graphite crucible exposed to the sources, contamination of the Cd source and large growth rates suggest the existence of a selenium transport process via graphite. This transport might be the result of the combination of selenium deposition on graphite with a subsequent activated desorption of selenium under cadmium exposure. It affects Cd source purity and growth kinetic bringing on a modification of the usual atomic layer deposition regimen; however, a reproducible growth rate of the epilayers was obtained.

  16. Short-term spatial and temporal forecast of dry snow avalanches of sublimation recrystallization and mixed origin

    Directory of Open Access Journals (Sweden)

    Yu. B. Andreev


    Full Text Available A possibility of space-temporary short-term forecast-diagnosis of dry sublimative recrystallization and mixed (recrystallization plus fresh snow avalanches is under consideration. The special discriminate analog–macrophysical models of the short-term background forecast is verified on correlation degree with probabilistic zoning of avalanche site № 22 in Khibiny. Аs a result we have correlation coefficients of order –(0.6÷0.7. The statistical significance of correlation coefficients (an order of 0.02–0.07 are checked and a conclusion on likelihood of assumed hypothesis is made. So by the current and predicted meteorological data such kind of forecast for such genetic avalanche types release in concrete sites becomes possible. The short-term forecast function transformation of the examined in the article avalanche types into long-term ones by averaging perennial realized forecast function values on slipping optimal 5-years intervals shows avalanche activity trend with probable 8–10 and 32-years harmonics during selected observation period. But in comparison with purely dry and wet fresh snow avalanches forecast analysed before the examined here above types are less precisely predicted. So it is needed an improvement of correspondent forecast functions on the base of theory contribution and future observations by increasing their series

  17. Impact of Wire Geometry in Energy Extraction from Salinity Differences Using Capacitive Technology

    NARCIS (Netherlands)

    Sales, B.B.; Burheim, O.S.; Liu, F.; Schaetzle, O.; Buisman, C.J.N.; Hamelers, H.V.M.


    Energy extraction based on capacitive Donnan potential (CDP) is a recently suggested technique for sustainable power generation. CDP combines the use of ion-exchange membranes and porous carbon electrodes to convert the Gibbs free energy of mixing sea and river water into electric work. The

  18. Toward high-performance vacuum-deposited organic light-emitting diodes: novel sublimable cationic iridium(III) complexes with yellow and orange electroluminescence. (United States)

    Duan, Lian; Ma, Dongxin; Zhang, Chen; Liu, Ruihuan; Qiu, Yong


    Great advances in the development of efficient luminescent materials are the driving force behind organic light-emitting diodes (OLEDs). Sublimable ionic transition metal complexes (iTMCs) have emerged as a large family of new emissive dopants applied for vacuum-deposited OLEDs, while the achievement of excellent performance remains arduous. A series of novel sublimable cationic iridium(III) complexes is designed and synthesized, containing an imidazole-type ancillary ligand and tetraphenylborate-type negative counter-ions with large steric hindrance and well-dispersed charges. The photophysical properties, electrochemical behaviors and thermal stability are fully investigated and discussed, then demonstrated by theoretical calculations. Yellow- and orange-emitting OLEDs thereof are fabricated by vacuum evaporation deposition, realizing high external quantum efficiency up to 11 %, maximum brightness over 27.3×103 cd/m2 and low turn-on voltages below 2.4 V, among the best results of analogous phosphorescent OLEDs based on iTMCs. This work indicates the promising applications of sublimable iTMCs in state-of-the-art vacuum-deposited optoelectronic devices. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  19. Ülev ei Kivisildniku luules. Üks lugemisviis. The Sublime „No” in Kivisildnik’s Poetry: A Way of Reading

    Directory of Open Access Journals (Sweden)

    Leo Luks


    Full Text Available This article aims toward a phenomenological interpretation of the unmediated experience of reading Sven Kivisildnik’s poetry. As the basic theoretical thesis of the article, I assert that there is always an inherent negativity in the feeling of the sublime, since this feeling is caused by unrepresentable experience. Likewise, I claim that this negativity is not merely a lack in aesthetic representation, but that it has deep ontological meaning in itself. I make connections between the inherent negativity in the feeling of the sublime and the concept of failure of linguistic utterance worked out by Jaan Undusk, Jaak Tomberg and Jüri Lipping. I come to the conclusion that the „no” in the feeling of sublimity is given to us in unmediated form. The practical (or applied intention of this article is to show that the dominant sociocentric interpretation of Kivisildnik’s poetry is one-sided and limiting. From the theoretical positions I have worked out, I outline the fundamental motifs of Kivisildnik’s poetry, and by means of examples drawn from the text, demonstrate how the „no” of the sublime is found there. I come to the conclusion that the dominant direction in Kivisildnik’s poetry is destruction. The article consists of an introduction, five sections, and a summary. In the first section („Approaches”, I briefly introduce the phenomenological approach. My position is that the work is always created during the act of reading, as the outcome of the union of text and reader. However, I leave the reader as subject open to definition, leaving it to drift as it were, since I am sceptical about the possibility of defining the subject. I do not claim that the sublime is the only possible conceptual framework for understanding poetry; rather, I consider the sublime as one proper theoretical metaphor for conceptualizing personal experience of reading. In the second section of the article („Defining poetry”, I make use of Rein Raud

  20. Isosorbide-5-mononitrate (5-ISMN) sustained-release pellets prepared by double layer coating for reducing 5-ISMN migration and sublimation. (United States)

    Li, Guofei; Han, Dandan; Guan, Tingting; Zhao, Xingna; He, Haibing; Tang, Xing


    The major aim of this study was to prepare isosorbide-5-mononitrate (5-ISMN) sustained-release pellets and evaluate their stability. The pellets were prepared by extrusion/spheronization, and then the core pellets were coated with ethylcellulose (EC 10cp) and Eudragit(®)NE30D. Here, EC was used as the subcoating agent while Eudragit(®)NE30D acted as the outer-coating agent. 5-ISMN sustained-release pellets as a novel drug delivery system contained the immediate-release portion in the outer-coating layer. Unexpectedly, 5-ISMN was found to migrate from the interior of the pellets to the surface forming needle crystals and exhibited the phenomenon of sublimation, which resulted in a tremendous increase in the release rate. Our research showed that the migration and sublimation of the active ingredient was related to the temperature and humidity. Polyvinylpyrrolidone (PVP K30) can affect the precipitation of 5-ISMN by forming a charge transfer complex between the drug and PVP, while hydroxypropyl methyl cellulose (HPMC E5) had no effect, and confirmed the correctness of this view through photographs and IR spectra. In the investigation of the stability, the results showed that there was no sublimation and migration while the pellets stored at 25°C/60%RH (ambient conditions) and 40°C/75% RH (stress conditions) during a 6-month period. Copyright © 2010 Elsevier B.V. All rights reserved.

  1. Sublimation-assisted graphene transfer technique based on small polyaromatic hydrocarbons (United States)

    Chen, Mingguang; Stekovic, Dejan; Li, Wangxiang; Arkook, Bassim; Haddon, Robert C.; Bekyarova, Elena


    Advances in the chemical vapor deposition (CVD) growth of graphene have made this material a very attractive candidate for a number of applications including transparent conductors, electronics, optoeletronics, biomedical devices and energy storage. The CVD method requires transfer of graphene on a desired substrate and this is most commonly accomplished with polymers. The removal of polymer carriers is achieved with organic solvents or thermal treatment which makes this approach inappropriate for application to plastic thin films such as polyethylene terephthalate substrates. An ultraclean graphene transfer method under mild conditions is highly desired. In this article, we report a naphthalene-assisted graphene transfer technique which provides a reliable route to residue-free transfer of graphene to both hard and flexible substrates. The quality of the transferred graphene was characterized with atomic force microscopy, scanning electron microscopy, and Raman spectroscopy. Field effect transistors, based on the naphthalene-transfered graphene, were fabricated and characterized. This work has the potential to broaden the applications of CVD graphene in fields where ultraclean graphene and mild graphene transfer conditions are required.

  2. Josiah Willard Gibbs

    Indian Academy of Sciences (India)

    The first law of thermodynamics states that heat and work are inter-convertible, and it is not possible to obtain more work than the amount of heat input into the machine. The formulation of ... heat and work, but finds applications in a whole variety of disciplines .... substances – liquid, gas or solids – provided there is no elastic.

  3. Axiomatic nonextensive statistics at NICA energies

    Energy Technology Data Exchange (ETDEWEB)

    Nasser Tawfik, Abdel [Modern University for Technology and Information (MTI), Egyptian Center for Theoretical Physics (ECTP), Cairo (Egypt); World Laboratory for Cosmology And Particle Physics (WLCAPP), Cairo (Egypt); Network for Nuclear Sciences (NNS), Academy for Scientific Research and Technology (ASRT), Cairo (Egypt)


    We discuss the possibility of implementing axiomatic nonextensive statistics, where it is conjectured that the phase-space volume determines the (non)extensive entropy, on the particle production at NICA energies. Both Boltzmann-Gibbs and Tsallis statistics are very special cases of this generic (non)extensivity. We conclude that the lattice thermodynamics is ab initio extensive and additive and thus the nonextensive approaches including Tsallis statistics categorically are not matching with them, while the particle production, for instance the particle ratios at various center-of-mass energies, is likely a nonextensive process but certainly not of Tsallis type. The resulting freezeout parameters, the temperature and the chemical potentials, are approximately compatible with the ones deduced from Boltzmann-Gibbs statistics. (orig.)

  4. Jovellanos en sus escritos íntimos: el paisaje y la emoción estética de lo sublime

    Directory of Open Access Journals (Sweden)

    Rueda, Ana


    Full Text Available The Diario (Diary foregrounds Jovellanos’s interest in recording Spain and its geography in a historical, statistical, economic and political sense. Like his celebrated report on political economy, the Informe sobre la ley agraria (Report on Agricultural Law, the Diario creates a moral and civil conscience that is profoundly oriented toward the social reform of Spain. Even so, the circumstance of his exile causes his gaze to acquire in this intimate work a quality unlike that of the Report. Jovellanos describes the disturbing beauty of wild landscapes and experiences in his Diary the emotional commotion that Burke (Philosophical Enquiry, 1757 and Kant (Critique of Judgment, 1790 recorded as the sublime. The pages of his Diary on which the word “sublime” and its accompanying emotions appear reveal an anxiety that threatens to undermine Jovellanos’s commitment to societal progress and the power of reason; that is, the suppositions of rational subjectivity that underlay his work as politician and writer. The concept of the sublime introduces narrative spaces of great emotion that reveal an important turn toward an epiphanic subjectivity that in successive decades would come to the fore in Romanticism. However, Jovellanos tempers his enthusiasm. On the threshold of the sublime he takes a step back. His self-alienation appears to prohibit the reader entry into zones of his private person and to frustrate the expectation of the reader of such intimate literature that he will come to know the man. And yet, it is precisely in these moments of hesitation where the reader is allowed access to the diarist´s inner struggle and to his negotiations between his private self and his social persona.El Diario recoge el interés de Jovellanos por consignar España y su geografía en un sentido histórico, estadístico, económico y político. Como hizo constar en su célebre informe de economía política aplicado al estado de la agricultura en la Espa

  5. Estimation of Genetic Parameters for Direct and Maternal Effects in Growth Traits of Sangsari Sheep Using Gibbs Sampling

    Directory of Open Access Journals (Sweden)

    Zohreh Yousefi


    Full Text Available Introduction Small ruminants, especially native breed types, play an important role in livelihoods of a considerable part of human population in the tropics from socio-economic aspects. Therefore, integrated attempt in terms of management and genetic improvement to enhance production is of crucial importance. Knowledge of genetic variation and co-variation among traits is required for both the design of effective sheep breeding programs and the accurate prediction of genetic progress from these programs. Body weight and growth traits are one of the economically important traits in sheep production, especially in Iran where lamb sale is the main source of income for sheep breeders while other products are in secondary importance. Although mutton is the most important source of protein in Iran, meat production from the sheep does not cover the increasing consumer demand. On the other hand, increase in sheep number to increase meat production has been limited by low quality and quantity of forage range. Therefore, enhancing meat production should be achieved by selecting the animals that have maximum genetic merit as next generation parents. To design an efficient improvement program and genetic evaluation system for maximization response to selection for economically important traits, accurate estimates of the genetic parameters and the genetic relationships between the traits are necessary. Studies of various sheep breeds have shown that both direct and maternal genetic influences are of importance for lamb growth. When growth traits are included in the breeding goal, both direct and maternal genetic effects should be taken into account in order to achieve optimum genetic progress. The objective of this study was to estimate the variance components and heritability, for growth traits, by fitting six animal models in the Sangsari sheep using Gibbs sampling. Material and Method Sangsari is a fat-tailed and relatively small sized breed of sheep

  6. The relationship of dynamical heterogeneity to the Adam-Gibbs and random first-order transition theories of glass formation. (United States)

    Starr, Francis W; Douglas, Jack F; Sastry, Srikanth


    We carefully examine common measures of dynamical heterogeneity for a model polymer melt and test how these scales compare with those hypothesized by the Adam and Gibbs (AG) and random first-order transition (RFOT) theories of relaxation in glass-forming liquids. To this end, we first analyze clusters of highly mobile particles, the string-like collective motion of these mobile particles, and clusters of relative low mobility. We show that the time scale of the high-mobility clusters and strings is associated with a diffusive time scale, while the low-mobility particles' time scale relates to a structural relaxation time. The difference of the characteristic times for the high- and low-mobility particles naturally explains the well-known decoupling of diffusion and structural relaxation time scales. Despite the inherent difference of dynamics between high- and low-mobility particles, we find a high degree of similarity in the geometrical structure of these particle clusters. In particular, we show that the fractal dimensions of these clusters are consistent with those of swollen branched polymers or branched polymers with screened excluded-volume interactions, corresponding to lattice animals and percolation clusters, respectively. In contrast, the fractal dimension of the strings crosses over from that of self-avoiding walks for small strings, to simple random walks for longer, more strongly interacting, strings, corresponding to flexible polymers with screened excluded-volume interactions. We examine the appropriateness of identifying the size scales of either mobile particle clusters or strings with the size of cooperatively rearranging regions (CRR) in the AG and RFOT theories. We find that the string size appears to be the most consistent measure of CRR for both the AG and RFOT models. Identifying strings or clusters with the "mosaic" length of the RFOT model relaxes the conventional assumption that the "entropic droplets" are compact. We also confirm the

  7. Hysteresis and change of transition temperature in thin films of Fe([Me{sub 2}Pyrz]{sub 3}BH){sub 2}, a new sublimable spin-crossover molecule

    Energy Technology Data Exchange (ETDEWEB)

    Davesne, V.; Gruber, M. [Institut de Physique et de Chimie des Matériaux de Strasbourg, UMR 7504 CNRS, Université de Strasbourg, 23 rue du Loess, 67034 Cedex 2 Strasbourg (France); Physikalisches Institut, Karlsruhe Institute of Technology, Wolfgang-Gaede-Str. 1, 76131 Karlsruhe (Germany); Studniarek, M. [Institut de Physique et de Chimie des Matériaux de Strasbourg, UMR 7504 CNRS, Université de Strasbourg, 23 rue du Loess, 67034 Cedex 2 Strasbourg (France); Synchrotron SOLEIL, L’Orme des Merisiers, Saint-Aubin, BP48, 91192 Gif-sur-Yvette (France); Doh, W. H.; Zafeiratos, S. [Institut de Chimie et Procédés pour l’Energie, l’Environnement et la Santé, UMR 7515 CNRS, Université de Strasbourg, 25 rue Becquerel, 67087 Cedex 2 Strasbourg (France); Joly, L.; Schmerber, G.; Bowen, M.; Weber, W.; Boukari, S.; Da Costa, V.; Arabski, J.; Beaurepaire, E. [Institut de Physique et de Chimie des Matériaux de Strasbourg, UMR 7504 CNRS, Université de Strasbourg, 23 rue du Loess, 67034 Cedex 2 Strasbourg (France); Sirotti, F.; Silly, M. G. [Synchrotron SOLEIL, L’Orme des Merisiers, Saint-Aubin, BP48, 91192 Gif-sur-Yvette (France); Gaspar, A. B.; Real, J. A. [Institut de Ciència Molecular (ICMol), Universitat de València, C/Catedrático José Beltrán Martínez 2, 46980 Paterna (València) (Spain); and others


    Thin films of the spin-crossover (SCO) molecule Fe([Me{sub 2}Pyrz]{sub 3}BH){sub 2} (Fe-pyrz) were sublimed on Si/SiO{sub 2} and quartz substrates, and their properties investigated by X-ray absorption and photoemission spectroscopies, optical absorption, atomic force microscopy, and superconducting quantum interference device. Contrary to the previously studied Fe(phen){sub 2}(NCS){sub 2}, the films are not smooth but granular. The thin films qualitatively retain the typical SCO properties of the powder sample (SCO, thermal hysteresis, soft X-ray induced excited spin-state trapping, and light induced excited spin-state trapping) but present intriguing variations even in micrometer-thick films: the transition temperature decreases when the thickness is decreased, and the hysteresis is affected. We explain this behavior in the light of recent studies focusing on the role of surface energy in the thermodynamics of the spin transition in nano-structures. In the high-spin state at room temperature, the films have a large optical gap (∼5 eV), decreasing at thickness below 50 nm, possibly due to film morphology.

  8. The Dust Sublimation Radius as an Outer Envelope to the Bulk of the Narrow Fe Kalpha Line Emission in Type 1 AGNs (United States)

    Gandhi, Poshak; Hönig, Sebastian F.; Kishimoto, Makoto


    The Fe Kα emission line is the most ubiquitous feature in the X-ray spectra of active galactic nuclei (AGNs), but the origin of its narrow core remains uncertain. Here, we investigate the connection between the sizes of the Fe Kα core emission regions and the measured sizes of the dusty tori in 13 local Type 1 AGNs. The observed Fe Kα emission radii (RFe) are determined from spectrally resolved line widths in X-ray grating spectra, and the dust sublimation radii (Rdust) are measured either from optical/near-infrared (NIR) reverberation time lags or from resolved NIR interferometric data. This direct comparison shows, on an object-by-object basis, that the dust sublimation radius forms an outer envelope to the bulk of the Fe Kα emission. RFe matches Rdust well in the AGNs, with the best constrained line widths currently. In a significant fraction of objects without a clear narrow line core, RFe is similar to, or smaller than, the radius of the optical broad line region. These facts place important constraints on the torus geometries for our sample. Extended tori in which the solid angle of fluorescing gas peaks at well beyond the dust sublimation radius can be ruled out. We also test for luminosity scalings of RFe, finding that the Eddington ratio is not a prime driver in determining the line location in our sample. We also discuss in detail potential caveats of data analysis and instrumental limitations, simplistic line modeling, uncertain black hole masses, and sample selection, showing that none of these is likely to bias our core result. The calorimeter on board Astro-H will soon vastly increase the parameter space over which line measurements can be made, overcoming many of these limitations.


    Energy Technology Data Exchange (ETDEWEB)

    Gandhi, Poshak; Hönig, Sebastian F. [School of Physics and Astronomy, University of Southampton, Highfield, Southampton, SO17 1BJ (United Kingdom); Kishimoto, Makoto [Kyoto Sangyo University, Motoyama, Kamigamo, Kita-ku, Kyoto 603-8555 (Japan)


    The Fe Kα emission line is the most ubiquitous feature in the X-ray spectra of active galactic nuclei (AGNs), but the origin of its narrow core remains uncertain. Here, we investigate the connection between the sizes of the Fe Kα core emission regions and the measured sizes of the dusty tori in 13 local Type 1 AGNs. The observed Fe Kα emission radii (R{sub Fe}) are determined from spectrally resolved line widths in X-ray grating spectra, and the dust sublimation radii (R{sub dust}) are measured either from optical/near-infrared (NIR) reverberation time lags or from resolved NIR interferometric data. This direct comparison shows, on an object-by-object basis, that the dust sublimation radius forms an outer envelope to the bulk of the Fe Kα emission. R{sub Fe} matches R{sub dust} well in the AGNs, with the best constrained line widths currently. In a significant fraction of objects without a clear narrow line core, R{sub Fe} is similar to, or smaller than, the radius of the optical broad line region. These facts place important constraints on the torus geometries for our sample. Extended tori in which the solid angle of fluorescing gas peaks at well beyond the dust sublimation radius can be ruled out. We also test for luminosity scalings of R{sub Fe}, finding that the Eddington ratio is not a prime driver in determining the line location in our sample. We also discuss in detail potential caveats of data analysis and instrumental limitations, simplistic line modeling, uncertain black hole masses, and sample selection, showing that none of these is likely to bias our core result. The calorimeter on board Astro-H will soon vastly increase the parameter space over which line measurements can be made, overcoming many of these limitations.

  10. A Novel Thermodynamic Model for Obtaining Solid-Liquid Interfacial Energies (United States)

    Zhang, Cong; Du, Yong


    The modeling of solid-liquid interfacial energies is developed in the present work. The total interfacial energy is separated into chemical and structure contributions, which are estimated by applying reported Gibbs energies, as well as correlated with molar interfacial area and melting temperature of solid phase. The present model is well validated with comprehensive datasets of measured solid-liquid interfacial energies, and it can provide key input parameters for microstructure simulations.

  11. First-order feasibility analysis of a space suit radiator concept based on estimation of water mass sublimation using Apollo mission data (United States)

    Metts, Jonathan G.; Klaus, David M.


    Thermal control of a space suit during extravehicular activity (EVA) is typically accomplished by sublimating water to provide system cooling. Spacecraft, on the other hand, primarily rely on radiators to dissipate heat. Integrating a radiator into a space suit has been proposed as an alternative design that does not require mass consumption for heat transfer. While providing cooling without water loss offers potential benefits for EVA application, it is not currently practical to rely on a directional, fixed-emissivity radiator to maintain thermal equilibrium of a spacesuit where the radiator orientation, environmental temperature, and crew member metabolic heat load fluctuate unpredictably. One approach that might make this feasible, however, is the use of electrochromic devices that are capable of infrared emissivity modulation and can be actively controlled across the entire suit surface to regulate net heat flux for the system. Integrating these devices onto the irregular, compliant space suit material requires that they be fabricated on a flexible substrate, such as Kapton film. An initial assessment of whether or not this candidate technology presents a feasible design option was conducted by first characterizing the mass of water loss from sublimation that could theoretically be saved if an electrochromic suit radiator was employed for thermal control. This is particularly important for lunar surface exploration, where the expense of transporting water from Earth is excessive, but the technology is potentially beneficial for other space missions as well. In order to define a baseline for this analysis by comparison to actual data, historical documents from the Apollo missions were mined for comprehensive, detailed metabolic data from each lunar surface outing, and related data from NASA's more recent "Advanced Lunar Walkback" tests were also analyzed. This metabolic database was then used to validate estimates for sublimator water consumption during surface

  12. Counter-Sublime Aesthetics: Prose as a Fracture of Identity in the Travels of Leandro Fernández de Moratín

    Directory of Open Access Journals (Sweden)



    Full Text Available The aim of this article is to analyze the works by Leandro Fernández de Moratín between 1792 and 1797 in order to show the modernity of his writing in the context of eighteenth-century European literature. During his travels the author describes sublime landscapes, but at the same time is ironic about his time and his country. Specifically, this paper analyzes the prose of Apuntaciones sueltas de Inglaterra and Viaje de Italia, as well as the modernity of a text such as Auto de fe de Logroño.

  13. Competition between drum and quasi-planar structures in RhB18 –: motifs for metallo-boronanotubes and metallo-borophenes† †Electronic supplementary information (ESI) available: The photoelectron spectrum of RhB18 – at 266 nm; the top 42 low-lying isomers of RhB18 –; the relative Gibbs free energies, valence molecular orbitals, and coordinates of the two most stable isomers of RhB18 –. See DOI: 10.1039/c6sc02623k Click here for additional data file. (United States)

    Jian, Tian; Li, Wan-Lu; Chen, Xin; Chen, Teng-Teng; Lopez, Gary V.


    Metal-doped boron clusters provide new opportunities to design nanoclusters with interesting structures and bonding. A cobalt-doped boron cluster, CoB18 –, has been observed recently to be planar and can be viewed as a motif for metallo-borophenes, whereas the D 9d drum isomer as a motif for metallo-boronanotubes is found to be much higher in energy. Hence, whether larger doped boron drums are possible is still an open question. Here we report that for RhB18 – the drum and quasi-planar structures become much closer in energy and co-exist experimentally, revealing a competition between the metallo-boronanotube and metallo-borophene structures. Photoelectron spectroscopy of RhB18 – shows a complicated spectral pattern, suggesting the presence of two isomers. Quantum chemistry studies indicate that the D 9d drum isomer and a quasi-planar isomer (C s) compete for the global minimum. The enhanced stability of the drum isomer in RhB18 – is due to the less contracted Rh 4d orbitals, which can have favorable interactions with the B18 drum motif. Chemical bonding analyses show that the quasi-planar isomer of RhB18 – is aromatic with 10 π electrons, whereas the observed RhB18 – drum cluster sets a new record for coordination number of eighteen among metal complexes. The current finding shows that the size of the boron drum can be tuned by appropriate metal dopants, suggesting that even larger boron drums with 5d, 6d transition metal, lanthanide or actinide metal atoms are possible. PMID:28451138

  14. Nonextensive statistical mechanics and high energy physics

    Directory of Open Access Journals (Sweden)

    Tsallis Constantino


    Full Text Available The use of the celebrated Boltzmann-Gibbs entropy and statistical mechanics is justified for ergodic-like systems. In contrast, complex systems typically require more powerful theories. We will provide a brief introduction to nonadditive entropies (characterized by indices like q, which, in the q → 1 limit, recovers the standard Boltzmann-Gibbs entropy and associated nonextensive statistical mechanics. We then present somerecent applications to systems such as high-energy collisions, black holes and others. In addition to that, we clarify and illustrate the neat distinction that exists between Lévy distributions and q-exponential ones, a point which occasionally causes some confusion in the literature, very particularly in the LHC literature

  15. Pedestal Craters in Utopia Planitia and Malea Planum: Evidence for a Past Ice-Rich Substrate from Marginal Sublimation Pits. (United States)

    Kadish, S. J.; Head, J. W.; Barlow, N. G.; Marchant, D. R.


    Introduction: Pedestal craters (Pd) are a subclass of impact craters unique to Mars [1] characterized by a crater perched near the center of a pedestal (mesa or plateau) that is surrounded by a quasi-circular, outward-facing scarp. The marginal scarp is usually several crater diameters from the crater rim (Figs. 2,4,5), and tens to over 100 meters above the surrounding plains (Fig. 2). Pd have been interpreted to form by armoring of the proximal substrate during the impact event. Hypotheses for the armoring mechanism include an ejecta covering [e.g., 3], increased ejecta mobilization caused by volatile substrates [4], distal glassy/melt-rich veneers [5], and/or an atmospheric blast/thermal effect [6]. Subsequently, a marginal scarp forms by preferential erosion of the substrate surrounding the armored region, most commonly thought to involve eolian removal of fine-grained, non-armored material [e.g., 3]. An understanding of the distribution of Pd, which form predominantly poleward of ~40°N and S latitude [7-9] (Fig. 1), and the role of redistribution of ice and dust during periods of climate change [e.g., 10-11], suggests that the substrate might have been volatile-rich [8-9, 12-14]. As such, some researchers [e.g., 8-9] have proposed a model for Pd formation that involves impact during periods of higher obliquity, when mid- to high-latitude substrates were characterized by thick deposits of snow and ice [e.g., 15]. Subsequent sublimation of the volatile units, except below the armored regions, yielded the perched Pd. Thus, this model predicts that thick deposits of snow/ice should underlie Pd. This is in contrast to the eolian model [3], which calls primarily for deflation of sand and dust. Here, we show the results of our study [8,16] that has documented and characterized 2461 Pd on Mars equatorward of ~65° N and S latitude (Fig. 1) in order to test these hypotheses for the origin of pedestal craters. In particular, we report on the detection of 50 Pd in Utopia

  16. Gibbs Measures of Nonlinear Schrödinger Equations as Limits of Many-Body Quantum States in Dimensions {d ≤slant 3} (United States)

    Fröhlich, Jürg; Knowles, Antti; Schlein, Benjamin; Sohinger, Vedran


    We prove that Gibbs measures of nonlinear Schrödinger equations arise as high-temperature limits of thermal states in many-body quantum mechanics. Our results hold for defocusing interactions in dimensions {d =1,2,3}. The many-body quantum thermal states that we consider are the grand canonical ensemble for d = 1 and an appropriate modification of the grand canonical ensemble for {d =2,3}. In dimensions d = 2, 3, the Gibbs measures are supported on singular distributions, and a renormalization of the chemical potential is necessary. On the many-body quantum side, the need for renormalization is manifested by a rapid growth of the number of particles. We relate the original many-body quantum problem to a renormalized version obtained by solving a counterterm problem. Our proof is based on ideas from field theory, using a perturbative expansion in the interaction, organized by using a diagrammatic representation, and on Borel resummation of the resulting series.

  17. Metastable States, Relaxation Times and Free-energy Barriers in Finite Dimensional Glassy Systems


    Franz, Silvio


    In this note we discuss metastability in a long-but-finite range disordered model for the glass transition. We show that relaxation is dominated by configuration belonging to metastable states and associate an in principle computable free-energy barrier to the equilibrium relaxation time. Adam-Gibbs like relaxation times appear naturally in this approach.

  18. Free Energies of Formation Measurements on Solid-State Electrochemical Cells (United States)

    Rollino, J. A.; Aronson, S.


    A simple experiment is proposed that can provide the student with some insight into the chemical properties of solids. It also demonstrates the relationship between the Gibbs free energy of formation of an ionic solid and the emf of an electrochemical cell. (DF)

  19. Energies; Energies

    Energy Technology Data Exchange (ETDEWEB)



    In the framework of the National Debate on the energies in a context of a sustainable development some associations for the environment organized a debate on the nuclear interest facing the renewable energies. The first part presents the nuclear energy as a possible solution to fight against the greenhouse effect and the associated problem of the wastes management. The second part gives information on the solar energy and the possibilities of heat and electric power production. A presentation of the FEE (French wind power association) on the situation and the development of the wind power in France, is also provided. (A.L.B.)

  20. Summer energy balance and ablation of high elevation glaciers in the central Chilean Andes (United States)

    Brock, Benjamin; Rivera, Andres; Burger, Flavia; Bravo, Claudio


    Glaciers of the semi-arid central Chilean Andes are an important freshwater source for the populous Central Valley region of Chile, but have been shrinking in recent decades. The surface energy balance of these glaciers is of high scientific interest as summer ablation occurs through both sublimation and melt. During the 2012-13 Austral Summer a glacio-meteorological monitoring programme was established on Olivares Alfa (3.9 km2, 4130-4800 m elevation) and Beta (8.3 km2, 3620-4850 m elevation) Glaciers and their forelands in the Upper Olivares Valley, 33°00'-33°11' S, 70°05'-70°15' W, approximately 50 km north-east of Santiago. This included complete automatic weather stations (AWSs) with sonic rangers to record surface ablation on the ablation zones of the two glaciers, and one AWS in the proglacial area of Olivares Alfa Glacier including precipitation gauge. To complement these point data, daily images of the glaciers were captured with fixed cameras in order to calculate snow cover and albedo distributions. To calculate the surface energy balance and rates of melt and sublimation, a model was developed which uses direct AWS measurements of the radiative fluxes and calculates the turbulent fluxes of sensible and latent heat using the bulk aerodynamic approach. The model also calculates the subsurface heat flux and includes a simple scheme to estimate refreezing of melt water within surface snow or ice. Meteorological data and model results for the December to May period will be presented in this paper. Model calculations match closely the cumulative ablation curve of the sonic ranger at Olivares Alfa, with a slight overestimation, and overestimate cumulative ablation recorded by the sonic ranger at Olivares Beta, possibly due, at least in part, to uncertain snow density values. Modelled cumulative ablation in the December-April period is 2.2 m water equivalent (w.e.) at Olivares Alfa (0.10 m sublimation, 2.10 m melt) and 2.34 m w.e. at Olivares Beta (0.18 m

  1. Calculation of liquid-liquid equilibrium of aqueous two-phase systems using a chemical-theory-based excess Gibbs energy model

    Directory of Open Access Journals (Sweden)

    Pessôa Filho P. A.


    Full Text Available Mixtures containing compounds that undergo hydrogen bonding show large deviations from ideal behavior. These deviations can be accounted for through chemical theory, according to which the formation of a hydrogen bond can be treated as a chemical reaction. This chemical equilibrium needs to be taken into account when applying stability criteria and carrying out phase equilibrium calculations. In this work, we illustrate the application of the stability criteria to establish the conditions under which a liquid-phase split may occur and the subsequent calculation of liquid-liquid equilibrium using a chemical-theory-modified Flory-Huggins equation to describe the non ideality of aqueous two-phase systems composed of poly(ethylene glycol and dextran. The model was found to be able to correlate ternary liquid-liquid diagrams reasonably well by simple adjustment of the polymer-polymer binary interaction parameter.

  2. Enhanced performance of CdS/CdTe thin-film devices through temperature profiling techniques applied to close-spaced sublimation deposition

    Energy Technology Data Exchange (ETDEWEB)

    Xiaonan Li; Sheldon, P.; Moutinho, H.; Matson, R. [National Renewable Energy Lab., Golden, CO (United States)


    The authors describe a methodology developed and applied to the close-spaced sublimation technique for thin-film CdTe deposition. The developed temperature profiles consisted of three discrete temperature segments, which the authors called the nucleation, plugging, and annealing temperatures. They have demonstrated that these temperature profiles can be used to grow large-grain material, plug pinholes, and improve CdS/CdTe photovoltaic device performance by about 15%. The improved material and device properties have been obtained while maintaining deposition temperatures compatible with commercially available substrates. This temperature profiling technique can be easily applied to a manufacturing environment by adjusting the temperature as a function of substrate position instead of time.

  3. In-Space Propulsion Engine Architecture Based on Sublimation of Planetary Resources: From Exploration Robots to NED Mitigation (United States)

    Sibille, Laurent; Mantovani, James; Dominquez, Jesus


    The purpose of this NIAC study is to identify those volatile and mineral resources that are available on asteroids, comets, moons and planets in the solar system, and investigate methods to transform these resources into forms of power that will expand the capabilities of future robotic and human exploration missions to explore planetary bodies beyond the Moon and will mitigate hazards from NEOs. The sources of power used for deep space probe missions are usually derived from either solar panels for electrical energy, radioisotope thermal generators for thermal energy, or fuel cells and chemical reactions for chemical energy and propulsion.

  4. Using deposition rate to increase the thermal and kinetic stability of vapor-deposited hole transport layer glasses via a simple sublimation apparatus (United States)

    Kearns, Kenneth L.; Krzyskowski, Paige; Devereaux, Zachary


    Deposition rate is known to affect the relative stability of vapor-deposited glasses; slower rates give more stable materials due to enhanced mobility at the free surface of the film. Here we show that the deposition rate can affect both the thermodynamic and kinetic stabilities of N ,N' -bis(3-methylphenyl)-N ,N' -diphenylbenzidine (TPD) and N ,N' -di-[(1-naphthyl)-N ,N' -diphenyl]-1,1'-biphenyl)-4,4'-diamine (NPD) glasses used as hole transport layers for organic light emitting diodes (OLEDs). A simple, low-vacuum glass sublimation apparatus and a high vacuum deposition chamber were used to deposit the glass. 50 μm thick films were deposited in the sublimation apparatus and characterized by differential scanning calorimetry while 75 nm thick films were prepared in the high vacuum chamber and studied by hot-stage spectroscopic ellipsometry (SE). The thermodynamic stability from both preparation chambers was consistent and showed that the fictive temperature (Tfictive) was more than 30 K lower than the conventional glass transition temperature (Tg) at the slowest deposition rates. The kinetic stability, measured as the onset temperature (Tonset) where the glass begins to transform into the supercooled liquid, was 16-17 K greater than Tg at the slowest rates. Tonset was systematically lower for the thin films characterized by SE and was attributed to the thickness dependent transformation of the glass into the supercooled liquid. These results show the first calorimetric characterization of the stability of glasses for OLED applications made by vapor deposition and the first direct comparison of deposition apparatuses as a function of the deposition rate. The ease of fabrication will create an opportunity for others to study the effect of deposition conditions on glass stability.

  5. Engineering On-Surface Spin Crossover: Spin-State Switching in a Self-Assembled Film of Vacuum-Sublimable Functional Molecule. (United States)

    Kumar, Kuppusamy Senthil; Studniarek, Michał; Heinrich, Benoît; Arabski, Jacek; Schmerber, Guy; Bowen, Martin; Boukari, Samy; Beaurepaire, Eric; Dreiser, Jan; Ruben, Mario


    The realization of spin-crossover (SCO)-based applications requires study of the spin-state switching characteristics of SCO complex molecules within nanostructured environments, especially on surfaces. Except for a very few cases, the SCO of a surface-bound thin molecular film is either quenched or heavily altered due to: (i) molecule-surface interactions and (ii) differing intermolecular interactions in films relative to the bulk. By fabricating SCO complexes on a weakly interacting surface, the interfacial quenching problem is tackled. However, engineering intermolecular interactions in thin SCO active films is rather difficult. Here, a molecular self-assembly strategy is proposed to fabricate thin spin-switchable surface-bound films with programmable intermolecular interactions. Molecular engineering of the parent complex system [Fe(H2 B(pz)2 )2 (bpy)] (pz = pyrazole, bpy = 2,2'-bipyridine) with a dodecyl (C12 ) alkyl chain yields a classical amphiphile-like functional and vacuum-sublimable charge-neutral FeII complex, [Fe(H2 B(pz)2 )2 (C12 -bpy)] (C12 -bpy = dodecyl[2,2'-bipyridine]-5-carboxylate). Both the bulk powder and 10 nm thin films sublimed onto either quartz glass or SiOx surfaces of the complex show comparable spin-state switching characteristics mediated by similar lamellar bilayer like self-assembly/molecular interactions. This unprecedented observation augurs well for the development of SCO-based applications, especially in molecular spintronics. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. In-Space Propulsion Engine Architecture based on Sublimation of Planetary Resources: From Exploration Robots to NEO Mitigation Project (United States)

    National Aeronautics and Space Administration — The sources of power used for deep space probe missions are usually derived from either solar panels for electrical energy, radioisotope thermal generators for...

  7. Effect of Surface Excess Energy Transport on the Rupture of an Evaporating Film (United States)

    Luo, Yan; Zhou, Jianqiu; Yang, Xia; Liu, Rong


    In most of existing works on the instabilities of an evaporating film, the energy boundary condition only takes into account contributions of the evaporation latent heat and the heat conduction in the liquid. We use a new generalized energy boundary condition at the evaporating liquid-vapor interface, in which the contribution of the transport of the Gibbs excess energy is included. We have derived the long-wave equations in which the thickness of film and the interfacial temperature are coupled to describe the dynamics of an evaporating thin film. The results of our computation show that the transport of the Gibbs excess internal energy delay the rupture of thin films due to van de Waals force, evaporating effect and vapor recoil.

  8. Bayesian estimation of genetic parameters for multivariate threshold and continuous phenotypes and molecular genetic data in simulated horse populations using Gibbs sampling

    Directory of Open Access Journals (Sweden)

    Hoeschele Ina


    Full Text Available Abstract Background Requirements for successful implementation of multivariate animal threshold models including phenotypic and genotypic information are not known yet. Here simulated horse data were used to investigate the properties of multivariate estimators of genetic parameters for categorical, continuous and molecular genetic data in the context of important radiological health traits using mixed linear-threshold animal models via Gibbs sampling. The simulated pedigree comprised 7 generations and 40000 animals per generation. Additive genetic values, residuals and fixed effects for one continuous trait and liabilities of four binary traits were simulated, resembling situations encountered in the Warmblood horse. Quantitative trait locus (QTL effects and genetic marker information were simulated for one of the liabilities. Different scenarios with respect to recombination rate between genetic markers and QTL and polymorphism information content of genetic markers were studied. For each scenario ten replicates were sampled from the simulated population, and within each replicate six different datasets differing in number and distribution of animals with trait records and availability of genetic marker information were generated. (CoVariance components were estimated using a Bayesian mixed linear-threshold animal model via Gibbs sampling. Residual variances were fixed to zero and a proper prior was used for the genetic covariance matrix. Results Effective sample sizes (ESS and biases of genetic parameters differed significantly between datasets. Bias of heritability estimates was -6% to +6% for the continuous trait, -6% to +10% for the binary traits of moderate heritability, and -21% to +25% for the binary traits of low heritability. Additive genetic correlations were mostly underestimated between the continuous trait and binary traits of low heritability, under- or overestimated between the continuous trait and binary traits of moderate

  9. Estimação de parâmetros genéticos em caprinos leiteiros por meio de análise de regressão aleatória utilizando-se a Amostragem de Gibbs Estimation of genetic parameters for milk yield of dairy goats by random regression analysis using Gibbs Sampling

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    Giselle Mariano Lessa de Assis


    Full Text Available Modelos de regressão aleatória foram utilizados neste estudo para estimar parâmetros genéticos da produção de leite no dia do controle (PLDC em caprinos leiteiros da raça Alpina, por meio da metodologia Bayesiana. As estimativas geradas foram comparadas às obtidas com análise de regressão aleatória, utilizando-se o REML. As herdabilidades encontradas pela análise Bayesiana variaram de 0,18 a 0,37, enquanto, pelo REML, variaram de 0,09 a 0,32. As correlações genéticas entre dias de controle próximos se aproximaram da unidade, decrescendo gradualmente conforme a distância entre os dias de controle aumentou. Os resultados obtidos indicam que: a estrutura de covariâncias da PLDC em caprinos ao longo da lactação pode ser modelada adequadamente por meio da regressão aleatória; a predição de ganhos genéticos e a seleção de animais geneticamente superiores é viável ao longo de toda a trajetória da lactação; os resultados gerados pelas análises de regressão aleatória utilizando-se a Amostragem de Gibbs e o REML foram semelhantes, embora as estimativas das variâncias genéticas e das herdabilidades tenham sido levemente superiores na análise Bayesiana, utilizando-se a Amostragem de Gibbs.Random regression models were used to estimate genetic parameters for test-day milk yield (PLDC of Alpine dairy goats, implemented by Bayesian methods with Gibbs Sampling. The estimates were compared with those obtained by random regression analysis, using REML. Heritability estimates obtained by Bayesian analysis ranged from 0.18 to 0.37, while those obtained by REML ranged from 0.09 to 0.32. Genetic correlations between yields of close test days approached the unit, but decreased gradually as the interval between test days increased. Results indicated that random regression models are appropriate to model the covariance structure of PLDC and to predict genetic gains and select animals along the lactation trajectory of dairy goats

  10. Iceland-Scotland Overflow Water transport variability through the Charlie-Gibbs Fracture Zone and the impact of the North Atlantic Current (United States)

    Bower, Amy; Furey, Heather


    The Charlie-Gibbs Fracture Zone (CGFZ), a deep and wide gap in the Mid-Atlantic Ridge near 52°N, is a gateway between the eastern and western subpolar regions for the Atlantic Meridional Overturning Circulation (AMOC). In 2010-2012, an eight-mooring array of current meters and temperature/salinity sensors was installed across the CGFZ between 500 m and the sea floor to measure the mean transport of westward-flowing Iceland-Scotland Overflow Water (ISOW) and investigate the impact of the eastward-flowing North Atlantic Current (NAC) on ISOW transport variability. The 22 month record mean ISOW transport through the CGFZ, -1.7 ± 0.5 Sv (95% confidence interval), is 30% lower than the previously published estimate based on 13 months of current-only measurements, -2.4 ± 1.2 Sv. The latter mean estimate may have been biased high due to the lack of continuous salinity measurements, although the two estimates are not statistically different due to strong mesoscale variability in both data sets. Empirical Orthogonal Function analysis and maps of satellite-derived absolute dynamic topography show that weak westward ISOW transport events and eastward reversals are caused by northward meanders of the NAC, with its deep-reaching eastward velocities. These results add to growing evidence that a significant fraction of ISOW exits the Iceland Basin by routes other than the CGFZ.

  11. Application of recursive Gibbs-Appell formulation in deriving the equations of motion of N-viscoelastic robotic manipulators in 3D space using Timoshenko Beam Theory (United States)

    Korayem, M. H.; Shafei, A. M.


    The goal of this paper is to describe the application of Gibbs-Appell (G-A) formulation and the assumed modes method to the mathematical modeling of N-viscoelastic link manipulators. The paper's focus is on obtaining accurate and complete equations of motion which encompass the most related structural properties of lightweight elastic manipulators. In this study, two important damping mechanisms, namely, the structural viscoelasticity (Kelvin-Voigt) effect (as internal damping) and the viscous air effect (as external damping) have been considered. To include the effects of shear and rotational inertia, the assumption of Timoshenko beam (TB) theory (TBT) has been applied. Gravity, torsion, and longitudinal elongation effects have also been included in the formulations. To systematically derive the equations of motion and improve the computational efficiency, a recursive algorithm has been used in the modeling of the system. In this algorithm, all the mathematical operations are carried out by only 3×3 and 3×1 matrices. Finally, a computational simulation for a manipulator with two elastic links is performed in order to verify the proposed method.

  12. Bayesian estimates of genetic parameters for metritis, retained placenta, milk fever, and clinical mastitis in Holstein dairy cows via Gibbs sampling. (United States)

    Hossein-Zadeh, Navid Ghavi; Ardalan, Mehrnaz


    The objective of this study was to estimate heritability and genetic correlations between the liabilities of clinical mastitis (CM), milk fever (MF), metritis (MET), and retained placenta (RP) within the first three lactations of Holstein dairy cows. The records of 57,301 dairy cows from 20 large dairy herds in Iran between January 2005 and June 2009 were analysed with univariate and bivariate threshold animal models, using Gibbs sampling methodology. The final model included the fixed class effects of herd-year, season of calving, parity of dam, the linear covariate effect of age at calving, and the random direct genetic effect of animal. Posterior means of heritability for liabilities in first, second, and third lactations were 0.06, 0.08, and 0.09, respectively, for CM; 0.10, 0.12, and 0.11, respectively, for MF; 0.09, 0.07, and 0.10, respectively, for MET, and 0.07, 0.08, and 0.08, respectively, for RP. Posterior means of genetic correlations between disease liabilities were low or moderate (from -0.01 to 0.26). The results of this study indicated the importance of health traits for considering in the selection index of Iranian Holstein dairy cows. Copyright © 2010 Elsevier Ltd. All rights reserved.

  13. New Comment on Gibbs Density Surface of Fluid Argon: Revised Critical Parameters, L. V. Woodcock, Int. J. Thermophys. (2014) 35, 1770-1784 (United States)

    Umirzakov, I. H.


    The author comments on an article by Woodcock (Int J Thermophys 35:1770-1784, 2014), who investigates the idea of a critical line instead of a single critical point using the example of argon. In the introduction, Woodcock states that "The Van der Waals critical point does not comply with the Gibbs phase rule. Its existence is based upon a hypothesis rather than a thermodynamic definition". The present comment is a response to the statement by Woodcock. The comment mathematically demonstrates that a critical point is not only based on a hypothesis that is used to define values of two parameters of the Van der Waals equation of state. Instead, the author argues that a critical point is a direct consequence of the thermodynamic phase equilibrium conditions resulting in a single critical point. It is shown that the thermodynamic conditions result in the first and second partial derivatives of pressure with respect to volume at constant temperature at a critical point equal to zero which are usual conditions of an existence of a critical point.


    Directory of Open Access Journals (Sweden)

    DARIUSZ Piwczynski


    Full Text Available The research was carried out on 4,030 Polish Merino ewes born in the years 1991- 2001, kept in 15 flocks from the Pomorze and Kujawy region. Fertility of ewes in subsequent reproduction seasons was analysed with the use of multiple logistic regression. The research showed that there is a statistical influence of the flock, year of birth, age of dam, flock year interaction of birth on the ewes fertility. In order to estimate the genetic parameters, the Gibbs sampling method was applied, using the univariate animal models, both linear as well as threshold. Estimates of fertility depending on the model equalled 0.067 to 0.104, whereas the estimates of repeatability equalled respectively: 0.076 and 0.139. The obtained genetic parameters were then used to estimate the breeding values of the animals in terms of controlled trait (Best Linear Unbiased Prediction method using linear and threshold models. The obtained animal breeding values rankings in respect of the same trait with the use of linear and threshold models were strongly correlated with each other (rs = 0.972. Negative genetic trends of fertility (0.01-0.08% per year were found.

  15. The thermodynamics of protein folding: a critique of widely used quasi-thermodynamic interpretations and a restatement based on the Gibbs-Duhem relation and consistent with the Phase Rule. (United States)

    Pethica, Brian A


    Interpretations of data in the extensive literature on the unfolding of proteins in aqueous solution follow a variety of methods involving assumptions leading to estimates of thermodynamic quantities associated with the unfolding transition. Inconsistencies and thermodynamic errors in these methods are identified. Estimates of standard molar free energies and enthalpies of unfolding using incompletely defined equilibrium constants and the van't Hoff relation are unsound, and typically contradict model-free interpretation of the data. A widely used routine for estimating the change in heat capacity associated with unfolding based on changes in the unfolding temperature and enthalpy co-induced by addition of denaturant or protective additives is thermodynamically incorrect by neglect of the Phase Rule. Many models and simulations predicting thermodynamic measures of unfolding are presently making comparisons with insecure quantities derived by incorrect thermodynamic analyses of experimental data. Analysis of unfolding via the Gibbs-Duhem equation with the correct Phase Rule constraints avoids the assumptions associated with incomplete equilibrium constants and misuse of the van't Hoff relation, and applies equally to positive, negative, sitewise or diffuse solute binding to the protein. The method gives the necessary relations between the thermodynamic parameters for thermal and isothermal unfolding and is developed for the case of two-state unfolding. The differences in binding of denaturants or stabilizers to the folded and unfolded forms of the protein are identified as major determinants of the unfolding process. The Phase Rule requires the temperature and enthalpy of unfolding to depend generally on the protein concentration. The available evidence bears out this expectation for thermal unfolding, indicating that protein-protein interactions influence folding. A parallel dependence of the denaturant concentrations for isothermal unfolding on the protein

  16. Comparative study of CdTe sources used for deposition of CdTe thin films by close spaced sublimation technique

    Directory of Open Access Journals (Sweden)

    Wagner Anacleto Pinheiro


    Full Text Available Unlike other thin film deposition techniques, close spaced sublimation (CSS requires a short source-substrate distance. The kind of source used in this technique strongly affects the control of the deposition parameters, especially the deposition rate. When depositing CdTe thin films by CSS, the most common CdTe sources are: single-crystal or polycrystalline wafers, powders, pellets or pieces, a thick CdTe film deposited onto glass or molybdenum substrate (CdTe source-plate and a sintered CdTe powder. In this work, CdTe thin films were deposited by CSS technique from different CdTe sources: particles, powder, compact powder, a paste made of CdTe and propylene glycol and source-plates (CdTe/Mo and CdTe/glass. The largest deposition rate was achieved when a paste made of CdTe and propylene glycol was used as the source. CdTe source-plates led to lower rates, probably due to the poor heat transmission, caused by the introduction of the plate substrate. The results also showed that compacting the powder the deposition rate increases due to the better thermal contact between powder particles.

  17. Structural properties and dielectric function of graphene grown by high-temperature sublimation on 4H-SiC(000-1)

    Energy Technology Data Exchange (ETDEWEB)

    Bouhafs, C., E-mail:; Darakchieva, V.; Persson, I. L.; Persson, P. O. Å.; Yakimova, R. [Department of Physics, Chemistry and Biology, IFM, Linköping University, Linköping S-58183, SE (Sweden); Tiberj, A.; Paillet, M.; Zahab, A.-A.; Landois, P.; Juillaguet, S. [CNRS Laboratoire Charles Coulomb, UMR 5221, Université Montpellier 2, F-34095 Montpellier (France); Schöche, S.; Schubert, M. [Department of Electrical Engineering and Center for Nanohybrid Functional Materials, University of Nebraska-Lincoln, Lincoln, Nebraska 68588 (United States)


    Understanding and controlling growth of graphene on the carbon face (C-face) of SiC presents a significant challenge. In this work, we study the structural, vibrational, and dielectric function properties of graphene grown on the C-face of 4H-SiC by high-temperature sublimation in an argon atmosphere. The effect of growth temperature on the graphene number of layers and crystallite size is investigated and discussed in relation to graphene coverage and thickness homogeneity. An amorphous carbon layer at the interface between SiC and the graphene is identified, and its evolution with growth temperature is established. Atomic force microscopy, micro-Raman scattering spectroscopy, spectroscopic ellipsometry, and high-resolution cross-sectional transmission electron microscopy are combined to determine and correlate thickness, stacking order, dielectric function, and interface properties of graphene. The role of surface defects and growth temperature on the graphene growth mechanism and stacking is discussed, and a conclusion about the critical factors to achieve decoupled graphene layers is drawn.

  18. Effect of the breakdown nature on Er-related electroluminescence intensity and excitation efficiency in Si:Er light emitting diodes grown with sublimation MBE technique

    Energy Technology Data Exchange (ETDEWEB)

    Shmagin, V.B.; Kuznetsov, V.P.; Remizov, D.Yu.; Krasil' nik, Z.F.; Krasil' nikova, L.V.; Kryzhkov, D.I


    The influence of the p-n junction breakdown mechanism on the Er{sup 3+} electroluminescence (EL) intensity and excitation efficiency (an intra 4f transition {sup 4}I{sub 13/2}{yields}{sup 4}I{sub 15/2} of Er{sup 3+} ion at the wavelength of 1.54 {mu}m) has been investigated in Si:Er light emitting diodes (LED) grown with sublimation molecular beam epitaxy (SMBE) method. It is shown that the avalanche LEDs are characterized by a greater Er{sup 3+} EL intensity and excitation efficiency compared with the tunnel LEDs. At the same time, an excessive advance into the avalanche breakdown parameter region leads to microplasma breakdown of the p-n junction, which causes a non-uniform distribution of the drive current density over p-n junction area and an appreciable decrease of the Er{sup 3+} EL intensity. Si:Er LEDs operating in mixed breakdown conditions seem to be more preferable for reaching maximal Er{sup 3+} EL intensity at room temperature, as they provide an optimum combination of high Er{sup 3+} EL excitation efficiency with the uniformity of the p-n junction breakdown.

  19. Qualification of a sublimation tool applied to the case of metalorganic chemical vapor deposition of In₂O₃ from In(tmhd)₃ as a solid precursor. (United States)

    Szkutnik, P D; Angélidès, L; Todorova, V; Jiménez, C


    A solid delivery system consisting of a source canister, a gas management, and temperature controlled enclosure designed and manufactured by Air Liquide Electronics Systems was tested in the context of gas-phase delivery of the In(tmhd)3 solid precursor. The precursor stream was delivered to a thermal metalorganic chemical vapor deposition reactor to quantify deposition yield under various conditions of carrier gas flow and sublimation temperature. The data collected allowed the determination of characteristic parameters such as the maximum precursor flow rate (18.2 mg min(-1) in specified conditions) and the critical mass (defined as the minimum amount of precursor able to attain the maximum flow rate) found to be about 2.4 g, as well as an understanding of the influence of powder distribution inside the canister. Furthermore, this qualification enabled the determination of optimal delivery conditions which allowed for stable and reproducible precursor flow rates over long deposition times (equivalent to more than 47 h of experiment). The resulting In2O3 layers was compared with those elaborated via pulsed liquid injection obtained in the same chemical vapor deposition chamber and under the same deposition conditions.

  20. Qualification of a sublimation tool applied to the case of metalorganic chemical vapor deposition of In2O3 from In(tmhd)3 as a solid precursor (United States)

    Szkutnik, P. D.; Angélidès, L.; Todorova, V.; Jiménez, C.


    A solid delivery system consisting of a source canister, a gas management, and temperature controlled enclosure designed and manufactured by Air Liquide Electronics Systems was tested in the context of gas-phase delivery of the In(tmhd)3 solid precursor. The precursor stream was delivered to a thermal metalorganic chemical vapor deposition reactor to quantify deposition yield under various conditions of carrier gas flow and sublimation temperature. The data collected allowed the determination of characteristic parameters such as the maximum precursor flow rate (18.2 mg min-1 in specified conditions) and the critical mass (defined as the minimum amount of precursor able to attain the maximum flow rate) found to be about 2.4 g, as well as an understanding of the influence of powder distribution inside the canister. Furthermore, this qualification enabled the determination of optimal delivery conditions which allowed for stable and reproducible precursor flow rates over long deposition times (equivalent to more than 47 h of experiment). The resulting In2O3 layers was compared with those elaborated via pulsed liquid injection obtained in the same chemical vapor deposition chamber and under the same deposition conditions.

  1. Estimativa por DSC das entalpias de sublimação da etilenouréia e da propilenouréia: algumas correlações empíricas envolvendo amidas e tioamidas Estimative by DSC data of the sublimation enthalpies for ethyleneurea and propyleneurea: some empirical correlations with amides and tioamides

    Directory of Open Access Journals (Sweden)

    Robson Fernandes de Farias


    Full Text Available By using DSC data, the enthaplies of sublimation for ethyleneurea and propyleneurea, are calculated as 84 and 89 kJ mol-1 respectively. Using the vaporization enthalpy values for dimethylethyleneurea and dimethylprophyleneurea, as obtained from literature, the empirical relation: Dcrg Hmo (1/ Dcrg Hmo (2 = Dlg Hmo (1/ Dlg Hmo(2 = constant, that relate sublimation or vaporization enthalpies of two different substances and of its methylated derivatives, is obtained. Correlations like that are found to another ureas and thioureas.

  2. Solvation and hydration characteristics of ibuprofen and acetylsalicylic acid. (United States)

    Perlovich, German L; Kurkov, Sergey V; Kinchin, Andrey N; Bauer-Brandl, Annette


    Ibuprofen and acetylsalicylic acid were studied by thermoanalytical methods: sublimation calorimetry, solution calorimetry, and with respect to solubility. Upon measuring the temperature dependences of the saturated vapor pressure, enthalpies of sublimation, DeltaH(0) (sub), as well as the entropies of sublimation, DeltaS(0) (sub), and their respective relative fractions in the total process were calculated. The Gibbs energy of solvation in aliphatic alcohols as well as the enthalpic and entropic fractions thereof were also studied and compared with the respective properties of model substances and other nonsteroidal antiinflammatory drugs (benzoic acid, diflunisal, flurbiprofen, ketoprofen, and naproxen). In all cases, enthalpy was found to be the driving force of the solvation process. Correlations were derived between Gibbs energy of solvation in octanol, DeltaG(Oct) (solv), and the transfer Gibbs energy from water to octanol, DeltaG(0) (tr). Influence of mutual octanol and water solubilities on the driving force of partitioning is discussed. An enthalpy-entropy-compensation effect in octanol was observed, and consequences of deviation from the general trend are also discussed.

  3. A Short Essay on the Uses of Free Energy


    Koutandos, Spyridon


    In this article we examine cases of more classical and less classical nature compared to results found by quantum mechanics and attribute a form of Free Energy discontinuity for each case within a boundary layer. The concept of a boundary layer is broadened as to include areas of first or second variations of the Gibbs free energy. It is constructive to think not only of implosions like boundary layers but also of explosion like ones. Situations such as boiling and the passage of electric cur...

  4. Gibbs measures and phase transitions

    CERN Document Server

    Georgii, Hans-Otto


    From a review of the first edition: ""This book […] covers in depth a broad range of topics in the mathematical theory of phase transition in statistical mechanics. […] It is in fact one of the author's stated aims that this comprehensive monograph should serve both as an introductory text and as a reference for the expert."" (F. Papangelou, Zentralblatt MATH) The second edition has been extended by a new section on large deviations and some comments on the more recent developments in the area.

  5. Measurement of solid-liquid interfacial energy in the pyrene succinonitrile monotectic system

    Energy Technology Data Exchange (ETDEWEB)

    Akbulut, S [Institute of Science and Technology, Department of Physics, Erciyes University, 38039 Kayseri (Turkey); Ocak, Y [Institute of Science and Technology, Department of Physics, Erciyes University, 38039 Kayseri (Turkey); Boeyuek, U [Institute of Science and Technology, Department of Physics, Erciyes University, 38039 Kayseri (Turkey); Erol, M [Institute of Science and Technology, Department of Physics, Erciyes University, 38039 Kayseri (Turkey); Keslioglu, K [Department of Physics, Faculty of Arts and Sciences, Erciyes University, 38039 Kayseri (Turkey); Marasli, N [Department of Physics, Faculty of Arts and Sciences, Erciyes University, 38039 Kayseri (Turkey)


    The equilibrated grain boundary groove shapes for solid pyrene (PY) in equilibrium with the PY succinonitrile (SCN) monotectic liquid were directly observed. From the observed grain boundary groove shapes, the Gibbs-Thomson coefficient and solid-liquid interfacial energy for solid PY in equilibrium with the PY SCN monotectic liquid have been determined to be (8.72 {+-} 0.87) x 10{sup -8} K m and (21.9 {+-} 3.28) x 10{sup -3} J m{sup -2} with the present numerical method and Gibbs-Thomson equation, respectively. The grain boundary energy of the solid PY phase has been determined to be (42.84 {+-} 7.28) x 10{sup -3} J m{sup -2} from the observed grain boundary groove shapes. Thermal conductivities of solid and liquid phases for PY-2.5 mol% SCN alloy and pure PY have also been measured.

  6. A sublimação jurídica da função social da propriedade The legal sublimation of the social function of property

    Directory of Open Access Journals (Sweden)

    Rafael Lazzarotto Simioni


    Full Text Available O sentido sociológico da função social da propriedade oscila sobre um paradoxo que as teorias jurídicas e políticas do pós-guerra escondem através da idéia do Estado de Direito e do Estado Benfeitor. A função social da propriedade ilustra esse estágio de desenvolvimento das relações comunicativas entre a Política e o Direito, onde a primeira não tem alternativa senão transferir seus conflitos para o segundo, transformando os conflitos políticos em conflitos jurídicos. Como será visto neste artigo, o resultado dessa sublimação jurídica dos conflitos políticos é a generalização simbólica das expectativas políticas na forma de expectativas normativas, que nessas condições podem ser tranqüilizadas artificialmente pela programação condicional do Direito.The social function of property oscillates on a paradox that the juridical and political theories of the postwar period hide through the idea of the Rule of Law and the Welfare State. The social function of property illustrates that development of the communicative relations between Politics and Law, in which the first transfers its conflicts to the latter, turning political conflicts into legal ones. As it will be seen in this article, the result of that legal sublimation of the political conflicts is the symbolic generalization of the political expectations in the form of normative expectations, so that in those conditions they can be artificially tranquilized by the conditional programming of the Law.

  7. Energy-rich glyceric acid oxygen esters - Implications for the origin of glycolysis (United States)

    Weber, Arthur L.; Hsu, Victor


    The apparent Gibbs free energy change (GFEC) of hydrolysis (pH 7) of the 2- and 3-O-glyceroyl esters of 2- and 3-O-L-glyceroyl-L-glyceric acid methyl ester were measured at 25 C. The 2- and 3-glyceroyl esters were found to be 'energy-rich' with GFEC values of -9.1 kcal/mol and -7.8 kcal/mol, respectively. This result indicates that the analogous 2- and 3-glyceroyl esters of polyglyceric acid are also energy-rich and, therefore, could have acted as an energy source for primitive phosphoanhydride synthesis.

  8. Small-scale distribution of deep-sea demersal nekton and other megafauna in the Charlie-Gibbs Fracture Zone of the Mid-Atlantic Ridge (United States)

    Felley, J. D.; Vecchione, M.; Wilson, R. R., Jr.


    Videotapes from manned submersibles diving in the area of the Charlie-Gibbs Fracture Zone of the Mid-Atlantic Ridge were used to investigate the distribution of fishes, large crustaceans, epifaunal and sessile organisms, and environmental features along a series of transects. Submersibles MIR 1 and MIR 2 conducted paired dives in an area of mixed sediment and rock (beginning depth ca. 3000 m) and on a large pocket of abyssal-like sediments (depth ca. 4000 m). In the shallower area, the submersibles passed over extremely heterogeneous terrain with a diversity of nekton, epifaunal forms and sessile forms. In the first pair of dives, MIR 1 rose along the Mid-Atlantic Ridge from 3000 to 1700 m, while MIR 2 remained near the 3000 m isobath. Nekton seen in these relatively shallow dives included large and small macrourids (genus Coryphaenoides), shrimp (infraorder Penaeidea), Halosauropsis macrochir, Aldrovandia sp., Antimora rostrata, and alepocephalids. The last two were more characteristic of the upper areas of the slope reached by MIR 1, as it rose along the Mid-Atlantic Ridge to depths less than 3000 m. Distributions of some forms seemed associated with depth and/or the presence of hard substrate. Sessile organisms such as sponges and large cnidaria were more likely to be found in rocky areas. The second pair of dives occurred in an abyssal area and the submersibles passed over sediment-covered plains, with little relief and many fewer countable organisms and features. The most evident of these were holes, mounds, small cerianthid anemones, small macrourids and the holothurian Benthodytes sp. A few large macrourids and shrimp also were seen in these deeper dives, as well as squat lobsters ( Munidopsis sp.). Sponges and larger cnidaria were mostly associated with a few small areas of rocky substrate. Holes and mounds showed distributions suggesting large-scale patterning. Over all dives, most sessile and epifaunal forms showed clumped distributions. However, large

  9. Evolution: Prosaically About the Sublime

    Directory of Open Access Journals (Sweden)

    Vladimir Shashkov


    Full Text Available Since the origin of mankind, every living person has tried to the best of his abilities to comprehend his presence in the world around. The question, around which, in one way or another, the topic of evolution centers. All this time, apparently not really successful attempts to create a unified world view have not stopped. The complexity of the problem lies in the fact that, while solving, it is necessary to understand a complex of interconnected intricate problems. Among them there are answers to the following questions: which principles define the evolutionary processes; how can appear and on what principles can function such an apparatus as the brain; how can this apparatus self-identify in its own environment, how it interacts with it; how appear and on what principles form its social relations with the ones of its kind? Afterward, there inevitably appears a necessity to thoroughly consider at least two more topics – appearance of metrology and terminology as the tools of self-identification and mutual understanding, their possibilities and limits of application. Solving of these tasks gives a rather definite base for rational correction of all the fundamental created by the mankind in the sphere of theoretical underpinning of all things, gives an opportunity to select reliable schemes to forecast the future of the mankind. In the format of an article it is complicated to consider the whole complex of tasks, one can only briefly mark some of the main provisions and conclusions, formulate as far as possible the basic provision, on the basis of which an attempt to build a rather equivalent reality of the world order is conducted. Below follows a detailed description of the effects of two quite interesting regularities that underlie evolutionary processes. The first regularity is the paradox that any single, accidental, and indefinitely small interaction in a system becomes a precedent and inevitably enhances the likelihood of further interactions resulting in a variety of new emerging components in the system. The second regularity is that the speed of interactions in any limited and isolated zone of the system precipitously increases and multiply outstrips what is happening in the system itself.

  10. Theoretical predictions of source rates for exospheric CO 2 on icy satellites of the outer planets due to sublimation of deep subsurface CO 2 ice (United States)

    Wood, Stephen E.


    The abundances of CO2 observed in the exospheres of Callisto and, more recently, Rhea and Dione are difficult to explain. The previously proposed sources for the CO2 either have production rates well below the expected rates of escape/destruction or should produce other species (e.g. CO) that are not observed.We consider a potential source that has not been previously investigated - CO2 vapor originating from crustal CO2 ice and driven upward by the endogenic heat flux - and have developed a model to make quantitative estimates of the corresponding global subsurface vapor flux.Our model is based on previous theoretical work by Clifford (1993) and Mellon et al. (1997) for equatorial ground ice on Mars, who showed that in times or places where subsurface pore ice is undergoing long-term sublimation and diffusive loss, the ice table (the shallowest depth where any pore ice exists) will not continue to recede indefinitely. Beyond a certain, predictable depth, the linear diffusive profile of vapor density between the ice table and the surface will become supersaturated with respect to the local temperature and recondense as pore ice. This is true for any planetary body with a non-negligible interior heat source (e.g. radiogenic, tidal, etc) and is due to the fact that, while the ice temperature increases ~linearly with depth, the corresponding equilibrium vapor density increases exponentially.Once this occurs, a steady-state profile of ice volume fraction, f_ice(z), develops, with net mass loss only occurring from the retreating pore-filling ice layer. The rate of vapor flux to the surface is then determined only by the vapor density and temperature gradient at the ice table depth. We use a 1-D thermal model coupled with an analytic physical model for regolith thermal conductivity (including its depth- and T-dependence), to calculate the zonally-integrated global CO2 vapor flux corresponding to the range of expected heat flow values. Our preliminary results show

  11. Derrida's Generalized Random Energy models; 4, Continuous state branching and coalescents

    CERN Document Server

    Bovier, A


    In this paper we conclude our analysis of Derrida's Generalized Random Energy Models (GREM) by identifying the thermodynamic limit with a one-parameter family of probability measures related to a continuous state branching process introduced by Neveu. Using a construction introduced by Bertoin and Le Gall in terms of a coherent family of subordinators related to Neveu's branching process, we show how the Gibbs geometry of the limiting Gibbs measure is given in terms of the genealogy of this process via a deterministic time-change. This construction is fully universal in that all different models (characterized by the covariance of the underlying Gaussian process) differ only through that time change, which in turn is expressed in terms of Parisi's overlap distribution. The proof uses strongly the Ghirlanda-Guerra identities that impose the structure of Neveu's process as the only possible asymptotic random mechanism.

  12. Solid-liquid interfacial energy of aminomethylpropanediol

    Energy Technology Data Exchange (ETDEWEB)

    Ocak, Yavuz; Keslioglu, Kazim; Marasli, Necmettin [Department of Physics, Faculty of Arts and Sciences, Erciyes University, 38039 Kayseri (Turkey); Akbulut, Sezen [Department of Physics, Institute of Science and Technology, Erciyes University, 38039 Kayseri (Turkey)], E-mail:


    The grain boundary groove shapes for equilibrated solid aminomethylpropanediol, 2-amino-2 methyl-1.3 propanediol (AMPD) with its melt were directly observed by using a horizontal temperature gradient stage. From the observed grain boundary groove shapes, the Gibbs-Thomson coefficient ({gamma}), solid-liquid interfacial energy ({sigma}{sub SL}) and grain boundary energy ({sigma}{sub gb}) of AMPD have been determined to be (5.4 {+-} 0.5) x 10{sup -8} K m, (8.5 {+-} 1.3) x 10{sup -3} J m{sup -2} and (16.5 {+-} 2.8) x 10{sup -3} J m{sup -2}, respectively. The ratio of thermal conductivity of equilibrated liquid phase to solid phase for the AMPD has also been measured to be 1.12 at the melting temperature.

  13. Energy, control and DNA structure in the living cell

    DEFF Research Database (Denmark)

    Wijker, J.E.; Jensen, Peter Ruhdal; Gomes, A. Vaz


    Maintenance (let alone growth) of the highly ordered living cell is only possible through the continuous input of free energy. Coupling of energetically downhill processes (such as catabolic reactions) to uphill processes is essential to provide this free energy and is catalyzed by enzymes either...... control cell physiology. Indeed, in the living cell homeostatic control mechanisms might exist for the free-energy transduction pathways so as to prevent perturbation of cellular function when the Gibbs energy supply is compromised. This presentation addresses the extent to which the intracellular ATP...... level is involved in the control of cell physiology, how the elaborate control of cell function may be analyzed theoretically and quantitatively, and if this can be utilized selectively to affect certain cell types....

  14. Low Temperature Growth of In2O3and InN Nanocrystals on Si(111 via Chemical Vapour Deposition Based on the Sublimation of NH4Cl in In

    Directory of Open Access Journals (Sweden)

    Tsokkou Demetra


    Full Text Available Abstract Indium oxide (In2O3 nanocrystals (NCs have been obtained via atmospheric pressure, chemical vapour deposition (APCVD on Si(111 via the direct oxidation of In with Ar:10% O2at 1000 °C but also at temperatures as low as 500 °C by the sublimation of ammonium chloride (NH4Cl which is incorporated into the In under a gas flow of nitrogen (N2. Similarly InN NCs have also been obtained using sublimation of NH4Cl in a gas flow of NH3. During oxidation of In under a flow of O2the transfer of In into the gas stream is inhibited by the formation of In2O3around the In powder which breaks up only at high temperatures, i.e.T > 900 °C, thereby releasing In into the gas stream which can then react with O2leading to a high yield formation of isolated 500 nm In2O3octahedrons but also chains of these nanostructures. No such NCs were obtained by direct oxidation forT G < 900 °C. The incorporation of NH4Cl in the In leads to the sublimation of NH4Cl into NH3and HCl at around 338 °C which in turn produces an efficient dispersion and transfer of the whole In into the gas stream of N2where it reacts with HCl forming primarily InCl. The latter adsorbs onto the Si(111 where it reacts with H2O and O2leading to the formation of In2O3nanopyramids on Si(111. The rest of the InCl is carried downstream, where it solidifies at lower temperatures, and rapidly breaks down into metallic In upon exposure to H2O in the air. Upon carrying out the reaction of In with NH4Cl at 600 °C under NH3as opposed to N2, we obtain InN nanoparticles on Si(111 with an average diameter of 300 nm.

  15. Heterocedasticidade entre estados para produção de leite em vacas da raça Holandesa, usando métodos Bayesianos via amostrador de Gibbs An evaluation of heteroscedasticity of variances of milk yield of Holstein cattle in different states using Bayesian inference via Gibbs sampler

    Directory of Open Access Journals (Sweden)

    Alencariano José da Silva Falcão


    Full Text Available Registros de produção de leite ajustados para 305 dias de lactação (PL305 em vacas da raça Holandesa que pariram entre 1980 e 1993 foram utilizados para investigar a existência de heterogeneidade de variância e a interação genótipo × ambiente. Supondo-se variâncias heterogêneas, as PL305 nos estados de Minas Gerais, São Paulo, Paraná, Santa Catarina e Rio Grande do Sul foram tratadas como características diferentes. Admitindo-se homogeneidade de variância, a PL305 foi analisada segundo um modelo unicaracter. Os componentes de (covariância e os parâmetros genéticos foram estimados utilizando-se métodos Bayesianos, via amostrador de Gibbs (GS, sob um modelo animal que incluiu os efeitos fixos de estação de parto, grupo genético, ordem de parição e classes rebanho-ano de parto e os efeitos genéticos aditivos e de ambiente permanente. A monitoração de convergência das distribuições das cadeias foi realizada pelo método de Heidelberg & Welch (1983. As estimativas dos componentes de variância e de herdabilidade foram obtidas com grande precisão na análise unicaracter. A média e o desvio-padrão (DP a posteriori da herdabilidade foram 0,278±0,012. Na análise multicaracter, as estimativas mais precisas da (covariância genética foram as obtidas em São Paulo e Paraná. As médias e os desvios-padrão a posteriori de herdabilidade para Minas Gerais, São Paulo, Paraná, Santa Catarina e Rio Grande do Sul, foram 0,280±0,021, 0,233±0,015, 0,280±0,012, 0,393±0,026 e 0,382±0,022, respectivamente. A baixa magnitude das correlações genéticas entre os estados (0,070 a 0,364 sugere a existência da interação genótipo × ambiente, logo, as PL305 em cada estado devem ser tratadas como características diferentes. O maior valor de correlação genética foi encontrado em São Paulo e Paraná. As variâncias genética e residual para PL305 foram significativamente diferentes entre a maioria dos estados.Adjusted for

  16. Beauty and sublime. Comment on "Move me, astonish me…" delight my eyes and brain: The Vienna Integrated Model of top-down and bottom-up processes in Art Perception (VIMAP) and corresponding affective, evaluative, and neurophysiological correlates; by Matthew Pelowski et al. (United States)

    Perlovsky, Leonid


    The VIMAP model presented in this review [1] is an interesting and detailed model of neural mechanisms of aesthetic perception. In this Comment I address one deficiency of this model: it does not address in details the fundamental notions of the VIMAP, beauty and sublime. In this regard VIMAP is similar to other publications on aesthetics.

  17. Estimations of the thermodynamic properties of halogenated benzenes as they relate to their environment mobility. (United States)

    Monte, Manuel J S; Almeida, Ana R R P


    In this work, several simple new equations for predicting important environmental mobility properties, at T = 298.15 K, were derived for halogenated benzenes: standard Gibbs energy of hydration, aqueous solubility, octanol-water partition coefficients, and Henry's law constants. A discussion on our previous estimates of other related properties (standard Gibbs energy and vapor pressure of sublimation and of vaporization) and their relation with entropy of fusion is also presented. As we aimed to estimate these properties for any of the ca. 1500 halogenated benzenes that may exist theoretically, an equation for estimating the temperature of fusion was also derived, since some of the proposed predictive equations (solubility of solids and Gibbs energy of sublimation) require its knowledge. For the other estimated properties just the number of each halogen that replaces hydrogen atoms in the halogenated benzene is needed. It was found that the coefficients that multiply the number of halogen atoms in the predictive equations vary linearly with the volume of the halogen atom. Copyright © 2017 Elsevier Ltd. All rights reserved.

  18. Energy sources for Triton's geyser-like plumes (United States)

    Brown, R. H.; Johnson, T. V.; Kirk, R. L.; Soderblom, L. A.


    Four geyser-like plumes were discovered near Triton's south pole in areas now in permanent sunlight. Because Triton's southern hemisphere is nearing a maximum summer solstice, insolation as a driver or a trigger for Triton's geyser-like plumes is an attractive hypothesis. Trapping of solar radiation in a translucent, low-conductivity surface layer (in a solid-state greenhouse), which is subsequently released in the form of latent heat of sublimation, could provide the required energy. Both the classical solid-state greenhouse consisting of exponentially absorbed insolation in a gray, translucent layer of solid nitrogen, and the 'super' greenhouse consisting of a relatively transparent solid-nitrogen layer over an opaque, absorbing layer are plausible candidates. Geothermal heat may also play a part if assisted by the added energy input of seasonal cycles of insolation.

  19. Astrochemical Laboratory Experiments as Analogs to Plutonian Chemistry: Using FTIR Spectroscopy to Monitor the Sublimation of Irradiated 1:1:100 CO+H_{2}O+N_{2} and 1:1:100 CH_{4}+H_{2}O+N_{2} Ices (United States)

    Stelmach, Kamil Bartlomiej; Yarnall, Yukiko; Cooper, Paul


    Pluto is a large icy body composed of N_{2}, CH_{4}, and H_{2}O ices. In many ways, Pluto can be seen as one large matrix isolation experiment where N_{2} is the inert matrix that can act to trap and isolate reactive species. The temperature changes on the dwarf planet induce sublimation of N_{2} from the surface. Any previously trapped reactive species could then react with the new ice or neighboring molecules. To see if this process might lead to a significant formation of molecules, Fourier-Transform Infrared (FTIR) Spectroscopy (4 cm^{-1} resolution) was used to study and monitor the sublimation of ices created from irradiated gas mixtures of 1:1:100 CO+H_{2}O+N_{2} or 1:1:100 CH_{4}+H_{2}O+N_{2}. The gas mixtures were initially prepared and deposited on a cold finger at a temperature of 6 K and a baseline vacuum of about 1 x 10^{-7} Torr. Gas mixtures were irradiated using an electric discharge or a microwave discharge before deposition to create the unstable chemical species. To sublimate the matrix, the temperature was brought up step-wise in 5-10 K intervals to 45 K. Slow sublimation (10 min per step) resulted in the new species being trapped in a water ice. In addition to (FTIR) spectroscopy, chemical species were also identified or monitored using ultraviolet-visible (UV-Vis) spectroscopy and a residual gas analyzer (RGA). Carbon suboxide (C_{3}O_{2}), a common component found in meteorites and a potentially important prebiotic molecule, was formed only after the sublimation step. Other products formed included deprotonated versions of products formed in the original matrix ice. C_{3}O_{2}'s potential importance in Pluto's surface chemistry and its overall astrobiological significance will be discussed.

  20. Energy Analysis in Combined Reforming of Propane

    Directory of Open Access Journals (Sweden)

    K. Moon


    Full Text Available Combined (steam and CO2 reforming is one of the methods to produce syngas for different applications. An energy requirement analysis of steam reforming to dry reforming with intermediate steps of steam reduction and equivalent CO2 addition to the feed fuel for syngas generation has been done to identify condition for optimum process operation. Thermodynamic equilibrium data for combined reforming was generated for temperature range of 400–1000°C at 1 bar pressure and combined oxidant (CO2 + H2O stream to propane (fuel ratio of 3, 6, and 9 by employing the Gibbs free energy minimization algorithm of HSC Chemistry software 5.1. Total energy requirement including preheating and reaction enthalpy calculations were done using the equilibrium product composition. Carbon and methane formation was significantly reduced in combined reforming than pure dry reforming, while the energy requirements were lower than pure steam reforming. Temperatures of minimum energy requirement were found in the data analysis of combined reforming which were optimum for the process.

  1. Nitrogen-atom endohedral fullerene synthesis with high efficiency by controlling plasma-ion irradiation energy and C{sub 60} internal energy

    Energy Technology Data Exchange (ETDEWEB)

    Cho, Soon Cheon; Kaneko, Toshiro, E-mail:; Ishida, Hiroyasu; Hatakeyama, Rikizo [Department of Electronic Engineering, Tohoku University, 6-6-05 Aoba, Aramaki, Aoba-ku, Sendai 980-8579 (Japan)


    The nitrogen-atom endohedral fullerene (N@C{sub 60}) has been synthesized by controlling the plasma ion irradiation energy (E{sub i}) and fullerene (C{sub 60}) behavior in the sublimation phase. We examined the relationship between the synthesis purity of N@C{sub 60} [molar concentration ratio of N@C{sub 60} to pristine fullerene (C{sub 60})] and E{sub i}, which was controlled by changing the substrate bias voltages (V{sub sub}) and gas pressure (P{sub N2}) during the plasma irradiation process. High-density nitrogen-molecular ions (N{sub 2}{sup +}) with a suitable E{sub i} near 80 eV are confirmed to be the optimum condition of the nitrogen plasma for the synthesis of high-purity N@C{sub 60}. In addition, high sublimation of C{sub 60} contributes to a higher yield due to the high internal energy of C{sub 60} and the related cage defects that are present under these conditions. As a result, a purity of 0.83% is realized for the first time, which is almost two orders of magnitude higher than that using other methods.

  2. On the role of the definition of potential models in Gibbs ensemble phase equilibria simulations of the H2S-pentane mixture (United States)

    Delhommelle, Jérôme; Millié, Philippe; Fuchs, Alain H.

    The effect of treating explicitly the coulombic and polarization interactions is investigated through the calculation of the coexistence curve of the pentane-H2S binary mixture. In this work, potential models have been developed for hydrogen sulphide and pentane, which include electrostatic sites - estimated from ab initio calculations - and polarizable sites - estimated from experimental data - in addition to Lennard-Jones sites. Compared to existing models, these new models have the same number of fitting parameters to experimental thermodynamic data. They are shown to correctly describe the coexistence curve of the pure compounds. When applied to the case of mixtures, together with Lorentz-Berthelot combining rules, they allow one to obtain a more accurate prediction of the coexisting compositions of the mixture. Furthermore, it is shown that the interaction energy in this kind of mixture cannot be properly described by using effective potential models usually considered for pure compounds.

  3. Typical state of an isolated quantum system with fixed energy and unrestricted participation of eigenstates (United States)

    Fine, Boris V.


    This work describes the statistics for the occupation numbers of quantum levels in a large isolated quantum system, where all possible superpositions of eigenstates are allowed provided all these superpositions have the same fixed energy. Such a condition is not equivalent to the conventional microcanonical condition because the latter limits the participating eigenstates to a very narrow energy window. The statistics is obtained analytically for both the entire system and its small subsystem. In a significant departure from the Boltzmann-Gibbs statistics, the average occupation numbers of quantum states exhibit in the present case weak algebraic dependence on energy. In the macroscopic limit, this dependence is routinely accompanied by the condensation into the lowest-energy quantum state. This work contains initial numerical tests of the above statistics for finite systems and also reports the following numerical finding: when the basis states of large but finite random matrix Hamiltonians are expanded in terms of eigenstates, the participation of eigenstates in such an expansion obeys the newly obtained statistics. The above statistics might be observable in small quantum systems, but for the macroscopic systems, it rather re-enforces doubts about self-sufficiency of nonrelativistic quantum mechanics for justifying the Boltzmann-Gibbs equilibrium.

  4. Kinetics of hydrolysis in aqueous solution of 1-benzoyl-1,2,4-triazole; the role of pairwise and triplet Gibbs energy interaction parameters in describing the effects of added salts and added alcohols

    NARCIS (Netherlands)

    Noordman, Wouter H.; Blokzijl, Wilfried; Engberts, Jan B.F.N.; Blandamer, Michael J.

    Kinetic data are reported for the spontaneous hydrolysis of 1-benzoyl-1,2,4-triazole in aqueous solutions at ambient-pressure and 298.2 K, in aqueous solutions containing added ethanol, propanol and sodium chloride. Kinetic-data are also reported for the same reaction in aqueous mixtures of sodium

  5. A new thermodynamic expression for Gibbs free energy difference ΔG between the under-cooled liquid and on microstructure of near-eutectic Al-13wt%Si alloy

    Directory of Open Access Journals (Sweden)

    Xi Xiao


    Full Text Available Under cooling rates of 2 ℃/s and 10 ℃/s, the influences of B content on the microstructure of near eutectic Al-13.0wt%Si alloy have been investigated. Results showed that the addition of boron resulted in refi nement of eutectic grains, and to some extent, had an inhibiting effect on precipitation of the primary phases, and the refi ning and inhibiting effects are much more obvious at higher cooling rate. When B was not added, higher cooling rate promoted the a-Al dendrites formation. At lower cooling rate, the addition of B did not cause the so called "columnar to equiaxed transition (CET", however, at higher cooling rate, this transition was obvious. After the addition of B, the nucleation temperature TN ascended and nucleation mode changed from nucleation mode of from wall towards centre (without B addition to a nucleation mode that the eutectic nucleated evenly throughout whole sample (with B added. It can be concluded that the addition of B offers a large amount of nuclei for eutectic solidifi cation, as a result, the eutectic grains was refi ned. Higher cooling rate will lead to more nuclei, so the effects on the refi nement of eutectic grains and on suppression of primary phases are increased.

  6. Tissue and size-related changes in the fatty acid and stable isotope signatures of the deep sea grenadier fish Coryphaenoides armatus from the Charlie-Gibbs Fracture Zone region of the Mid-Atlantic Ridge (United States)

    Mayor, Daniel J.; Sharples, Caroline J.; Webster, Lynda; Walsham, Pamela; Lacaze, Jean-Pierre; Cousins, Nicola J.


    Coryphaenoides armatus is a cosmopolitan deep-sea fish that plays a major role in the ecology of abyssal ecosystems. We investigated the trophic ecology and physiology of this species by determining the δ13C, δ15N and fatty acid signatures of muscle, liver and ovary tissues of individuals collected from ∼2700 m to the north and south of the Charlie-Gibbs Fracture Zone (CGFZ) of the Mid-Atlantic Ridge, NE Atlantic. Fatty acid and δ13C data both suggested that C. armatus shows an ontogenetic dietary shift, with the relative contributions of benthic and pelagic prey decreasing and increasing respectively as the animals grow. They also indicated that dietary overlap between animals living to the north and south of the CGFZ increases as they grow, suggesting that larger animals forage over greater distances and are not hindered by the presence of the CGFZ. Comparison of tissue-specific fatty acid signatures with previously published data suggests compositional homeostasis of the fatty acids 20:5(n-3) and 22:6(n-3) in the muscle, and 18:1(n-9) in the liver tissues. We ascribe this primarily to strict physiological requirements for these compounds, rather than simply to their abundance in the diet. We pose several speculative mechanisms to explain the observed trends in tissue-specific δ13C and δ15N values, illustrating some of the numerous processes that can influence the isotopic signatures of bulk tissues.

  7. Tracking a northern fulmar from a Scottish nesting site to the Charlie-Gibbs Fracture Zone: Evidence of linkage between coastal breeding seabirds and Mid-Atlantic Ridge feeding sites (United States)

    Edwards, Ewan W. J.; Quinn, Lucy R.; Wakefield, Ewan D.; Miller, Peter I.; Thompson, Paul M.


    The seas above mid-ocean ridges are biodiversity hotspots in an otherwise largely oligotrophic environment, but the nature and extent of linkage between these offshore regimes and coastal ecosystems remains uncertain. Using a combination of GPS and geolocation tracking data, we show that a male fulmar, breeding on the Scottish coast, foraged over areas of persistent thermal fronts along the Charlie-Gibbs Fracture Zone (CGFZ) of the Mid-Atlantic Ridge during the incubation period. The bird travelled over 6200 km in 14.9 days. First-passage time analysis identified seven areas of restricted search, four on the shelf and three in the vicinity of the Mid-Atlantic Ridge. Previous studies of incubation foraging trip durations at this site suggest that a trip of this duration is unusual, and further work is required to assess the extent to which different individuals use these offshore resources. Nevertheless, these data highlight the potential importance of high sea areas beyond the limits of national jurisdiction when considering the management and conservation of seabirds breeding in NW Europe, and raises the potential for even greater linkage between the CGFZ and seabirds breeding colonies in other regions.

  8. Bathyal demersal fishes of the Charlie-Gibbs Fracture Zone region (49°-54°N) of the Mid-Atlantic Ridge: III. Results from remotely operated vehicle (ROV) video transects (United States)

    Linley, Thomas D.; Alt, Claudia H. S.; Jones, Daniel O. B.; Priede, Imants G.


    Demersal fish were assessed by remotely operated vehicle (ROV) video transects at sites to the NE, NW (54°N), SE and SW (49°N) of the Charlie-Gibbs Fracture Zone (CGFZ) at ca. 2500 m depth on the Mid-Atlantic Ridge. At each site, three different slope categories (flat, 10° slope and >30° slope) were sampled with four transects, each surveying 2000 m3 of suprabenthic water. This resulted in 12 high-definition video transects at every site, covering a total of 24,000 m3 suprabenthic water. Six species were observed; which was fewer than in surveys using baited landers (19 species) and trawls (26 species) in the same area. Bathysaurus ferox, Halosauropsis macrochir, Antimora rostrata and Polyacanthonotus challengeri did not vary in density between sites, while Coryphaenoides brevibarbis and Coryphaenoides armatus were significantly more abundant at the northern sites; the latter supporting findings using baited landers. The halosaur H. macrochir was the only species affected by slope. The majority of observed fish showed no reaction to one or more of the stimuli produced by the ROV, however burst swimming was observed at least once in all species except B. ferox. The most abundant species, C. brevibarbis, was particularly affected by the presence of the ROV.

  9. Effects of Single and Blended Coating Pigments on the Inkjet Image Quality of Dye Sublimation Transfer Printed Paper: SiO2, CaCO3, Talc, and Sericite

    Directory of Open Access Journals (Sweden)

    Chi-Ching Lin


    Full Text Available In this study, we investigated the effects on the image quality of CaCO3, SiO2, talc, and sericite on coated inkjet paper. The papers serve as dye sublimation transfer paper for printing on fabrics. The brightness, smoothness, and contact angle of the coated papers were evaluated. The papers were then printed with a textile color image evaluation test form, and the imprinted images were evaluated with respect to six criteria of the solid ink density, tone value increase, print contrast, ink trapping, grayness, and hue error. The overall printed image quality was correlated with the smoothness and brightness of the coated paper but showed no correlation with the contact angle. For single-pigment-coated papers, CaCO3 produced paper with the best color difference performance and could be substituted for silica. On the other hand, SiO2 was found to be suitable for blending with talc, calcium carbonate, and sericite, and its combination with these materials generally produced better image qualities than silica alone. Talc and sericite, when blended with silica as composite coating pigments, produced better printed image qualities than those as single-pigment-coated papers. The overall image quality ranking suggests that the best performance was achieved with CaCO3-, SiO2/talc-, CaCO3/SiO2-, SiO2/sericite-, and SiO2-coated papers.

  10. Um filme falado e a construção calculada do sublime: Implicações da estética kantiana na construção social da segurança

    Directory of Open Access Journals (Sweden)

    Gilberto Carvalho de Oliveira


    Full Text Available Com base numa perspetiva crítica dos estudos de segurança e no que tem sido chamado de “viragem estética na teoria política internacional”, este artigo recorre a Um filme falado do realizador português Manoel de Oliveira, a fim de mostrar como a estética do sublime é calculadamente articulada no filme para produzir o ‘efeito‑choque’ e transmitir uma ideologia − a do choque das civilizações – contribuindo, assim, para reforçar o discurso securitizador que está na base da “Guerra contra o Terrorismo”. Com base nessa análise, o artigo conclui que uma abordagem estética da securitização não só oferece um modelo alternativo apropriado ao estudo do impacto da cultura visual na construção social da segurança, mas também contribui para o desenvolvimento da capacidade crítica do público a quem cabe, em última instância, a decisão de aceitar ou contestar um movimento de securitização.

  11. Heat transfer coefficients obtainment by means of naphthalene sublimation in air; Obtencion de coeficientes de transferencia de calor por medio de la tecnica de sublimacion de naftalina en aire

    Energy Technology Data Exchange (ETDEWEB)

    Perez Galindo, Jose Arturo; Garcia Gutierrez, Alonso [Instituto de Investigaciones Electricas, Cuernavaca (Mexico)


    This work describes the experimental technique for the sublimation of naphthalene in air which measures heat transfer coefficients through the use of the analogy between the transference phenomena of heat and mass. The technique used to substitute the experimental measurements of heat transfer, in which it is difficult to control the border thermal conditions, when they are dimmed by the omnipresent problem of heat conduction through the walls of the transference surfaces. Two examples are included of the application technique and its potential is outlined. [Espanol] En este trabajo se describe la tecnica experimental de la sublimacion de naftalina en aire mediante la que se miden coeficientes de transferencia de masa. Los datos asi obtenidos pueden convertirse en coeficientes de transferencia de calor a traves del uso de la analogia entre los fenomenos de transferencia de calor y masa. La tecnica se utiliza para substituir las mediciones experimentales de transferencia de calor, en las que es dificil controlar las condiciones termicas de frontera, cuando las empana el problema omnipresente de la conduccion de calor a traves de las paredes de las superficies de transferencia. Se incluyen dos ejemplos de la aplicacion de la tecnica y se destaca su potencial.

  12. Constitutive equations for energy balance evaluation in metals under inelastic deformation (United States)

    Kostina, A.; Plekhov, O.; Venkatraman, B.


    The work is devoted to the development of constitutive equations for energy balance evaluation in plastically deformed metals. The evolution of the defect system is described by a previously obtained model based on the Boltzmann-Gibbs statistics. In the framework of this model, a collective behavior of mesodefect ensembles is taken into account by the introduction of an internal variable representing additional structural strain. This parameter enables the partition of plastic work into dissipated heat and stored energy. The proposed model is applied to energy balance calculation in a Ti-1Al-1Mn specimen subjected to cyclic loading. Simulation results have shown that the model is able to describe an upward trend in the stored energy value with the increase in the load ratio.

  13. Prediction of Tetraoxygen Reaction Mechanism with Sulfur Atom on the Singlet Potential Energy Surface

    Directory of Open Access Journals (Sweden)

    Ashraf Khademzadeh


    Full Text Available The mechanism of S+O4 (D2h reaction has been investigated at the B3LYP/6-311+G(3df and CCSD levels on the singlet potential energy surface. One stable complex has been found for the S+O4 (D2h reaction, IN1, on the singlet potential energy surface. For the title reaction, we obtained four kinds of products at the B3LYP level, which have enough thermodynamic stability. The results reveal that the product P3 is spontaneous and exothermic with −188.042 and −179.147 kcal/mol in Gibbs free energy and enthalpy of reaction, respectively. Because P1 adduct is produced after passing two low energy level transition states, kinetically, it is the most favorable adduct in the 1S+1O4 (D2h atmospheric reactions.

  14. Relationship between dynamical entropy and energy dissipation far from thermodynamic equilibrium (United States)

    Green, Jason R.; Costa, Anthony B.; Grzybowski, Bartosz A.; Szleifer, Igal


    Connections between microscopic dynamical observables and macroscopic nonequilibrium (NE) properties have been pursued in statistical physics since Boltzmann, Gibbs, and Maxwell. The simulations we describe here establish a relationship between the Kolmogorov–Sinai entropy and the energy dissipated as heat from a NE system to its environment. First, we show that the Kolmogorov–Sinai or dynamical entropy can be separated into system and bath components and that the entropy of the system characterizes the dynamics of energy dissipation. Second, we find that the average change in the system dynamical entropy is linearly related to the average change in the energy dissipated to the bath. The constant energy and time scales of the bath fix the dynamical relationship between these two quantities. These results provide a link between microscopic dynamical variables and the macroscopic energetics of NE processes. PMID:24065832

  15. The free energy method and the Wright-Fisher model with 2 alleles. (United States)

    Tran, Tat Dat; Hofrichter, Julian; Jost, Jürgen


    We systematically investigate the Wright-Fisher model of population genetics with the free energy functional formalism of statistical mechanics and in the light of recent mathematical work on the connection between Fokker-Planck equations and free energy functionals. In statistical physics, entropy increases, or equivalently, free energy decreases, and the asymptotic state is given by a Gibbs-type distribution. This also works for the Wright-Fisher model when rewritten in divergence to identify the correct free energy functional. We not only recover the known results about the stationary distribution, that is, the asymptotic equilibrium state of the model, in the presence of positive mutation rates and possibly also selection, but can also provide detailed formulae for the rate of convergence towards that stationary distribution. In the present paper, the method is illustrated for the simplest case only, that of two alleles.

  16. Solvation enthalpy and the thermodynamics of hydration of trans-cyclohexyl-1,4-diamine and cis-cyclohexyl-1,2-diamine

    Energy Technology Data Exchange (ETDEWEB)

    Tome, Luciana I.N.; Jesus, A.J. Lopes [Department of Chemistry, Rua Larga 3004-535, University of Coimbra (Portugal); Esteves de Castro, R.A. [Faculty of Pharmacy, Rua do Norte 3000-295, University of Coimbra (Portugal); Teixeira, M. Helena S.F. [Department of Chemistry, Rua Larga 3004-535, University of Coimbra (Portugal); Canotilho, Joao [Faculty of Pharmacy, Rua do Norte 3000-295, University of Coimbra (Portugal); Eusebio, M. Ermelinda S. [Department of Chemistry, Rua Larga 3004-535, University of Coimbra (Portugal)], E-mail:


    The enthalpy of solution of trans-cyclohexyl-1,4-diamine and cis-cyclohexyl-1,2-diamine in water was determined by calorimetry. The enthalpy of hydration was determined from this quantity and from the enthalpy of sublimation/vaporization presented in another paper by the authors. Considering the solvation process resulting from cavity creation in the solvent and variation of solute conformation transfer steps, the enthalpy corresponding to solute-solvent interaction was estimated. The entropies of solvation and interaction were calculated from the values given for the enthalpies in the present paper and those available for the Gibbs free energies.

  17. The ecosystem of the Mid-Atlantic Ridge at the sub-polar front and Charlie-Gibbs Fracture Zone; ECO-MAR project strategy and description of the sampling programme 2007-2010 (United States)

    Priede, Imants G.; Billett, David S. M.; Brierley, Andrew S.; Hoelzel, A. Rus; Inall, Mark; Miller, Peter I.; Cousins, Nicola J.; Shields, Mark A.; Fujii, Toyonobu


    The ECOMAR project investigated photosynthetically-supported life on the North Mid-Atlantic Ridge (MAR) between the Azores and Iceland focussing on the Charlie-Gibbs Fracture Zone area in the vicinity of the sub-polar front where the North Atlantic Current crosses the MAR. Repeat visits were made to four stations at 2500 m depth on the flanks of the MAR in the years 2007-2010; a pair of northern stations at 54°N in cold water north of the sub-polar front and southern stations at 49°N in warmer water influenced by eddies from the North Atlantic Current. At each station an instrumented mooring was deployed with current meters and sediment traps (100 and 1000 m above the sea floor) to sample downward flux of particulate matter. The patterns of water flow, fronts, primary production and export flux in the region were studied by a combination of remote sensing and in situ measurements. Sonar, tow nets and profilers sampled pelagic fauna over the MAR. Swath bathymetry surveys across the ridge revealed sediment-covered flat terraces parallel to the axis of the MAR with intervening steep rocky slopes. Otter trawls, megacores, baited traps and a suite of tools carried by the R.O.V. Isis including push cores, grabs and a suction device collected benthic fauna. Video and photo surveys were also conducted using the SHRIMP towed vehicle and the R.O.V. Isis. Additional surveying and sampling by landers and R.O.V. focussed on the summit of a seamount (48°44‧N, 28°10‧W) on the western crest of the MAR between the two southern stations.

  18. A theoretical study of the thermodynamics of microbial growth using Saccharomyces cerevisiae and a different free energy equation. (United States)

    Battley, Edwin H


    Microbial growth is a biological process that has been previously treated as a chemical reaction operating in accord with the Gibbs free energy equation, Delta G = Delta H-T Delta S. The heat of yeast growth was the first to be measured, in 1856, by direct calorimetry of a large wine vat. Until then there was a tendency for biologists to continue with the old notion that the energy change accompanying the growth of microorganisms was reflected in the amount of heat that was produced during this process. The application of chemical thermodynamics to systems involving microbial growth did not occur until much later. The full application of the Gibbs equation to microbial growth did not take place until the experimental measurement of yeast cell entropy was made in 1997 Further investigations then showed that the quantity of thermal energy for solid substances represented by TS was twice that of the quantity of thermal energy represented by Qab that is experimentally necessary to raise T of a substance from 0/K to T/K. Since there can only be one value for this, the use of the equation Delta X = Delta H-Delta Qab was investigated with respect to microbial growth, and is described in this review.

  19. Cometary Defense with Directed Energy (United States)

    Zhang, Q.; Lubin, P. M.; Hughes, G. B.


    Cometary impacts pose a long-term hazard to humans on Earth. Due to their comparative rarity, most planetary defense schemes neglect the comet threat, choosing instead to focus exclusively on mitigating asteroid impacts. Methods like kinetic impactors may be suitable for deflecting near-Earth asteroids (NEAs) and Jupiter-family comets (JFCs), both of which are characterized by low inclination orbits and short orbital periods which favor early detection—characteristics ideal for an interception mission. In contrast, Halley-type comets (HTCs) and long-period comets (LPCs) are often found in high inclination orbits rarely more than 2 yr prior to reaching Earth's orbit. Unless discovered and identified in a prior apparition—often centuries or millennia earlier, if ever—timely interception of a threatening HTC or LPC is improbable even with preparation, with missions demanding delta-v budgets often in excess of 30 km/s. Active comets, however, are already naturally perturbed from purely gravitational trajectories through solar-driven sublimation of volatiles. Further deflection may be achieved by supplementing the solar radiation with an artificial directed energy source such as by one or more laser arrays positioned on or near Earth. Simulations were developed with models derived from the known solar nongravitational perturbations of typical comets. Results suggest that a diffraction-limited 500 m array operating at 10 GW for 10 min/day may be sufficient to divert a typical active 500 m comet from an impact given 1 yr. A larger 1 km array operating at 100 GW for 100 s/day is similarly effective. Care must be taken to ensure the target remains intact throughout the deflection period due to comets' low compressive strength and resulting propensity for disintegration at high incident flux.

  20. How Many Iterations in the Gibbs Sampler? (United States)


    2NA&)A132Z"`4’H �+Z%>1#79^�ɚNb+N’"J6L*!2Z"`HP4/+S2U4/2LA+\\ QFB %��HP4/+S2 Bd%>+W"_!&)K*M%’+A[t~! 8"S"%>&S...A+XLA+ !13]^4/*K]^’" 7AC/x (8%’+Z%>&SA2A+iŝ�X2L C’F QFB ŝq$2N C>F B "cqw%� 8 [~L@�#+Z"J2 7 q xEx/x !2+Z%>2N!4E18

  1. Space Supervenience and Entailment | Gibb | Philosophical Papers

    African Journals Online (AJOL)

    Given this thesis of supervenience, relationism is implausible. I argue that the problem that Le Poidevin raises for relationism should be rejected, because the thesis of supervenience is false. The latter rests upon what Le Poidevin refers to as 'The explanatory principle', a principle which he claims to be a natural extension ...

  2. Josiah Willard Gibbs and his Ensembles

    Indian Academy of Sciences (India)

    G ibbs rem ained in Y ale untilhis death in the year 1903. H e led an .... lished just one year before his death. It contains the results of .... near and far. B oltzm ann and H is T ransport E quation. B oltzm ann had an extraordinary courage to suggest that the tim e asym m etric m acroscopic phenom ena can be ex- actly derived ...

  3. Free energy changes and components implicit in the MWC allosteric model for the cooperative oxygen binding of hemoglobin.#


    Bucci, Enrico


    Hill’s plots of oxygen binding isotherms reveal the presence of a transition between two different oxygen affinities at the beginning and end of the isotherm. They correspond to the two conformations anticipated by the MWC model, namely the T and R conformations at the beginning and end of oxygen binding, when the lower affinity of the T form develops into the higher affinity of the R form. The difference between the binding Gibbs free energies changes of the two affinities (ΔGL) is the free ...

  4. A sublimation technique for high-precision measurements of δ13CO2 and mixing ratios of CO2 and N2O from air trapped in ice cores

    Directory of Open Access Journals (Sweden)

    H. Fischer


    Full Text Available In order to provide high precision stable carbon isotope ratios (δ13CO2 or δ13C of CO2 from small bubbly, partially and fully clathrated ice core samples we developed a new method based on sublimation coupled to gas chromatography-isotope ratio mass spectrometry (GC-IRMS. In a first step the trapped air is quantitatively released from ~30 g of ice and CO2 together with N2O are separated from the bulk air components and stored in a miniature glass tube. In an off-line step, the extracted sample is introduced into a helium carrier flow using a minimised tube cracker device. Prior to measurement, N2O and organic sample contaminants are gas chromatographically separated from CO2. Pulses of a CO2/N2O mixture are admitted to the tube cracker and follow the path of the sample through the system. This allows an identical treatment and comparison of sample and standard peaks. The ability of the method to reproduce δ13C from bubble and clathrate ice is verified on different ice cores. We achieve reproducibilities for bubble ice between 0.05 ‰ and 0.07 ‰ and for clathrate ice between 0.05 ‰ and 0.09 ‰ (dependent on the ice core used. A comparison of our data with measurements on bubble ice from the same ice core but using a mechanical extraction device shows no significant systematic offset. In addition to δ13C, the CO2 and N2O mixing ratios can be volumetrically derived with a precision of 2 ppmv and 8 ppbv, respectively.

  5. Energy and exergy analyses of a biomass-based hydrogen production system. (United States)

    Cohce, M K; Dincer, I; Rosen, M A


    In this paper, a novel biomass-based hydrogen production plant is investigated. The system uses oil palm shell as a feedstock. The main plant processes are biomass gasification, steam methane reforming and shift reaction. The modeling of the gasifier uses the Gibbs free energy minimization approach and chemical equilibrium considerations. The plant, with modifications, is simulated and analyzed thermodynamically using the Aspen Plus process simulation code (version 11.1). Exergy analysis, a useful tool for understanding and improving efficiency, is used throughout the investigation, in addition to energy analysis. The overall performance of the system is evaluated, and its efficiencies become 19% for exergy efficiency and 22% energy efficiency while the gasifier cold gas efficiency is 18%. Copyright © 2011 Elsevier Ltd. All rights reserved.

  6. Energy intermittency

    CERN Document Server

    Sorensen, Bent


    The first book to consider intermittency as a key point of an energy system, Energy Intermittency describes different levels of variability for traditional and renewable energy sources, presenting detailed solutions for handling energy intermittency through trade, collaboration, demand management, and active energy storage. Addressing energy supply intermittency systematically, this practical text:Analyzes typical time-distributions and intervals between episodes of demand-supply mismatch and explores their dependence on system layouts and energy source characteristicsSimulates scenarios regar

  7. Thermodynamic, energy efficiency, and power density analysis of reverse electrodialysis power generation with natural salinity gradients. (United States)

    Yip, Ngai Yin; Vermaas, David A; Nijmeijer, Kitty; Elimelech, Menachem


    Reverse electrodialysis (RED) can harness the Gibbs free energy of mixing when fresh river water flows into the sea for sustainable power generation. In this study, we carry out a thermodynamic and energy efficiency analysis of RED power generation, and assess the membrane power density. First, we present a reversible thermodynamic model for RED and verify that the theoretical maximum extractable work in a reversible RED process is identical to the Gibbs free energy of mixing. Work extraction in an irreversible process with maximized power density using a constant-resistance load is then examined to assess the energy conversion efficiency and power density. With equal volumes of seawater and river water, energy conversion efficiency of ∼ 33-44% can be obtained in RED, while the rest is lost through dissipation in the internal resistance of the ion-exchange membrane stack. We show that imperfections in the selectivity of typical ion exchange membranes (namely, co-ion transport, osmosis, and electro-osmosis) can detrimentally lower efficiency by up to 26%, with co-ion leakage being the dominant effect. Further inspection of the power density profile during RED revealed inherent ineffectiveness toward the end of the process. By judicious early discontinuation of the controlled mixing process, the overall power density performance can be considerably enhanced by up to 7-fold, without significant compromise to the energy efficiency. Additionally, membrane resistance was found to be an important factor in determining the power densities attainable. Lastly, the performance of an RED stack was examined for different membrane conductivities and intermembrane distances simulating high performance membranes and stack design. By thoughtful selection of the operating parameters, an efficiency of ∼ 37% and an overall gross power density of 3.5 W/m(2) represent the maximum performance that can potentially be achieved in a seawater-river water RED system with low

  8. Energy sustainability through green energy

    CERN Document Server

    Sharma, Atul


    This book shares the latest developments and advances in materials and processes involved in the energy generation, transmission, distribution and storage. Chapters are written by researchers in the energy and materials field. Topics include, but are not limited to, energy from biomass, bio-gas and bio-fuels; solar, wind, geothermal, hydro power, wave energy; energy-transmission, distribution and storage; energy-efficient lighting buildings; energy sustainability; hydrogen and fuel cells; energy policy for new and renewable energy technologies and education for sustainable energy development

  9. Computational assessment of several hydrogen-free high energy compounds. (United States)

    Tan, Bisheng; Huang, Ming; Long, Xinping; Li, Jinshan; Fan, Guijuan


    Tetrazino-tetrazine-tetraoxide (TTTO) is an attractive high energy compound, but unfortunately, it is not yet experimentally synthesized so far. Isomerization of TTTO leads to its five isomers, bond-separation energies were empolyed to compare the global stability of six compounds, it is found that isomer 1 has the highest bond-separation energy (1204.6kJ/mol), compared with TTTO (1151.2kJ/mol); thermodynamic properties of six compounds were theoretically calculated, including standard formation enthalpies (solid and gaseous), standard fusion enthalpies, standard vaporation enthalpies, standard sublimation enthalpies, lattice energies and normal melting points, normal boiling points; their detonation performances were also computed, including detonation heat (Q, cal/g), detonation velocity (D, km/s), detonation pressure (P, GPa) and impact sensitivity (h50, cm), compared with TTTO (Q=1311.01J/g, D=9.228km/s, P=40.556GPa, h50=12.7cm), isomer 5 exhibites better detonation performances (Q=1523.74J/g, D=9.389km/s, P=41.329GPa, h50= 28.4cm). Copyright © 2015 Elsevier Inc. All rights reserved.

  10. Renewable energy. (United States)

    Destouni, Georgia; Frank, Harry


    The Energy Committee of the Royal Swedish Academy of Sciences has in a series of projects gathered information and knowledge on renewable energy from various sources, both within and outside the academic world. In this article, we synthesize and summarize some of the main points on renewable energy from the various Energy Committee projects and the Committee's Energy 2050 symposium, regarding energy from water and wind, bioenergy, and solar energy. We further summarize the Energy Committee's scenario estimates of future renewable energy contributions to the global energy system, and other presentations given at the Energy 2050 symposium. In general, international coordination and investment in energy research and development is crucial to enable future reliance on renewable energy sources with minimal fossil fuel use.

  11. Energy resources

    CERN Document Server

    Simon, Andrew L


    Energy Resources mainly focuses on energy, including its definition, historical perspective, sources, utilization, and conservation. This text first explains what energy is and what its uses are. This book then explains coal, oil, and natural gas, which are some of the common energy sources used by various industries. Other energy sources such as wind, solar, geothermal, water, and nuclear energy sources are also tackled. This text also looks into fusion energy and techniques of energy conversion. This book concludes by explaining the energy allocation and utilization crisis. This publ

  12. Solar Energy. (United States)

    Eaton, William W.

    Presented is the utilization of solar radiation as an energy resource principally for the production of electricity. Included are discussions of solar thermal conversion, photovoltic conversion, wind energy, and energy from ocean temperature differences. Future solar energy plans, the role of solar energy in plant and fossil fuel production, and…

  13. Understanding Energy (United States)

    Menon, Deepika; Shelby, Blake; Mattingly, Christine


    "Energy" is a term often used in everyday language. Even young children associate energy with the food they eat, feeling tired after playing soccer, or when asked to turn the lights off to save light energy. However, they may not have the scientific conceptual understanding of energy at this age. Teaching energy and matter could be…

  14. Sublimation-Condensation of Multiscale Tellurium Structures

    Energy Technology Data Exchange (ETDEWEB)

    Riley, Brian J.; Johnson, Bradley R.; Schaef, Herbert T.; Sundaram, S. K.


    This paper presents a simple technique for making tellurium (Te) nano and microtubes of widely varying dimensions with Multi-Scale Processing (MSP). In this process, the Te metal is placed in a reaction vessel (e.g., borosilicate or fused quartz), the vessel is evacuated, and then sealed under vacuum with a torch. The vessel is heat-treated in a temperature gradient where a portion of the tube that can also contain an additional substrate, is under a decreasing temperature gradient. Scanning and transmission electron microscopies have shown that multifaceted crystalline tubes have been formed extending from nano- up to micron-scale with diameters ranging from 51.2 ± 5.9 to 1042 ± 134 nm between temperatures of 157 and 224 °C, respectively. One-dimensional tubular features are seen at lower temperatures, while three-dimensional features, at the higher temperatures. These features have been characterized with X-ray diffraction and found to be trigonal Te with space group P3121. Our results show that the MSP can adequately be described using a simple Arrhenius equation.

  15. The Sublimated Ideology of The Object

    Directory of Open Access Journals (Sweden)

    G.V. Loewen


    Full Text Available The idea that ideologies present to us a rationality for making decisions, for getting things done, allows us to avoid the agony of choosing one world or another as a finite being, allows us to forget that it is we ourselves who must do and thus who are also to be done. Due to the work of having to live a human life with others who do not agree with us and will never be our servants, we are all ready to give up responsibilities to the political saviour; already this one presents to ourselves the One and only. By examining our private and picayune dogmatisms, we might gain some insight into why we are ever so often willing to become public fascists. We might well object to being objected to. Along with this, we are also objects in a world of objects. This is routine when compared to the dialectical intersubjectivity of voicing an objection in a throng of objections, of questioning the objectionable in a questionable politics. It is the very mundanity of acquiescence that dulls us to the danger pedestal-dwelling ideologies still represent.

  16. Cute, Creepy and Sublime Unnamed Childhood Monstrosities (United States)

    Tesar, Marek; Koro-Ljungberg, Mirka


    Strangers, Gods, and monsters are all names for the experience of alterity and otherness within and amongst us. We need monsters in our lives. In this paper we use philosophy as a method to explore language, developmental and cultural instabilities, and terrifying (and discursive) monstrosity located within children's literature and childhood…

  17. Energy Drinks (United States)

    ... R S T U V W X Y Z Energy Drinks Share: © Thinkstock Energy drinks are widely promoted as products that increase ... people has been quite effective. Next to multivitamins, energy drinks are the most popular dietary supplement consumed ...

  18. Energy, tourism


    Frantál, B.


    The chapter provides a general definition of energy and resume the role and environmental impacts of tourism as one of the largest global industries and energy consumers.Then the energy tourism nexus is conceptualized from three perspectives: The first is energy as a driver of tourism. The second is energy as a constraint of tourism. The third is energy as an attraction and object of tourists´interests.

  19. Development of a group contribution method for estimating free energy of peptides in a dodecane-water system via molecular dynamic simulations. (United States)

    Mora Osorio, Camilo Andrés; González Barrios, Andrés Fernando


    Calculation of the Gibbs free energy changes of biological molecules at the oil-water interface is commonly performed with Molecular Dynamics simulations (MD). It is a process that could be performed repeatedly in order to find some molecules of high stability in this medium. Here, an alternative method of calculation has been proposed: a group contribution method (GCM) for peptides based on MD of the twenty classic amino acids to obtain free energy change during the insertion of any peptide chain in water-dodecane interfaces. Multiple MD of the twenty classic amino acids located at the interface of rectangular simulation boxes with a dodecane-water medium were performed. A GCM to calculate the free energy of entire peptides is then proposed. The method uses the summation of the Gibbs free energy of each amino acid adjusted in function of its presence or absence in the chain as well as its hydrophobic characteristics. Validation of the equation was performed with twenty-one peptides all simulated using MD in dodecane-water rectangular boxes in previous work, obtaining an average relative error of 16%.

  20. Energy Theater (United States)

    Daane, Abigail R.; Wells, Lindsay; Scherr, Rachel E.


    Energy Theater is a dynamic, full-body activity that engages all students in representing the flow of energy in various phenomena, such as a light bulb burning steadily or a refrigerator cooling food. In Energy Theater, each participant acts as a unit of energy that has one form at a time. Regions on the floor correspond to objects in a physical…

  1. Geothermal Energy. (United States)

    Conservation and Renewable Energy Inquiry and Referral Service (DOE), Silver Spring, MD.

    An introduction to geothermal energy is provided in this discussion of: (1) how a geothermal reservoir works; (2) how to find geothermal energy; (3) where it is located; (4) electric power generation using geothermal energy; (5) use of geothermal energy as a direct source of heat; (6) geopressured reservoirs; (7) environmental effects; (8)…

  2. Geothermal Energy. (United States)

    Nemzer, Marilyn; Page, Deborah

    This curriculum unit describes geothermal energy in the context of the world's energy needs. It addresses renewable and nonrenewable energy sources with an in-depth study of geothermal energy--its geology, its history, and its many uses. Included are integrated activities involving science, as well as math, social studies, and language arts.…

  3. Advantage Energy

    Energy Technology Data Exchange (ETDEWEB)



    Increased focus has been placed on the issues of energy access and energy poverty over the last number of years, most notably indicated by the United Nations (UN) declaring 2012 as the 'International Year of Sustainable Energy for All'. Although attention in these topics has increased, incorrect assumptions and misunderstandings still arise in both the literature and dialogues. Access to energy does not only include electricity, does not only include cook stoves, but must include access to all types of energy that form the overall energy system. This paper chooses to examine this energy system using a typology that breaks it into 3 primary energy subsystems: heat energy, electricity and transportation. Describing the global energy system using these three subsystems provides a way to articulate the differences and similarities for each system's required investments needs by the private and public sectors.

  4. The MgO-Al2O3-SiO2 system - Free energy of pyrope and Al2O3-enstatite. [in earth mantle formation (United States)

    Saxena, S. K.


    The model of fictive ideal components is used to determine Gibbs free energies of formation of pyrope and Al2O3-enstatite from the experimental data on coexisting garnet and orthopyroxene and orthopyroxene and spinel in the temperature range 1200-1600 K. It is noted that Al2O3 forms an ideal solution with MgSiO3. These thermochemical data are found to be consistent with the Al2O3 isopleths that could be drawn using most recent experimental data and with the reversed experimental data on the garnet-spinel field boundary.

  5. Energy-based analysis of biochemical cycles using bond graphs. (United States)

    Gawthrop, Peter J; Crampin, Edmund J


    Thermodynamic aspects of chemical reactions have a long history in the physical chemistry literature. In particular, biochemical cycles require a source of energy to function. However, although fundamental, the role of chemical potential and Gibb's free energy in the analysis of biochemical systems is often overlooked leading to models which are physically impossible. The bond graph approach was developed for modelling engineering systems, where energy generation, storage and transmission are fundamental. The method focuses on how power flows between components and how energy is stored, transmitted or dissipated within components. Based on the early ideas of network thermodynamics, we have applied this approach to biochemical systems to generate models which automatically obey the laws of thermodynamics. We illustrate the method with examples of biochemical cycles. We have found that thermodynamically compliant models of simple biochemical cycles can easily be developed using this approach. In particular, both stoichiometric information and simulation models can be developed directly from the bond graph. Furthermore, model reduction and approximation while retaining structural and thermodynamic properties is facilitated. Because the bond graph approach is also modular and scaleable, we believe that it provides a secure foundation for building thermodynamically compliant models of large biochemical networks.

  6. Energy audit and energy security

    Directory of Open Access Journals (Sweden)

    Beata Agnieszka Kulessa


    Full Text Available In article, we present the issue of energy security. This article to answer the questions concerning the future of energy in Poland. These activities are directly related to energy security and the reduction of CO2 emissions. One element of this plan is the introduction in the EU energy certification of buildings. The energy certificates in Poland launched on 01.01.2009 and implements the objectives adopted by the European Union and contribute to energy security, increasing energy efficiency in construction and environmental protection.

  7. Graph Energy

    CERN Document Server

    Li, Xueliang; Gutman, Ivan


    This book is about graph energy. The authors have included many of the important results on graph energy, such as the complete solution to the conjecture on maximal energy of unicyclic graphs, the Wagner-Heuberger's result on the energy of trees, the energy of random graphs or the approach to energy using singular values. It contains an extensive coverage of recent results and a gradual development of topics and the inclusion of complete proofs from most of the important recent results in the area. The latter fact makes it a valuable reference for researchers looking to get into the field of g

  8. Energy Independence (United States)

    Abelson, Philip H.


    Discusses President Nixon's proposed national endeavor for energy self-sufficiency in the United States by 1980, to be known as Project Independence. Examines some of the factors that will be involved in attempting to attain energy independence. (JR)

  9. Geothermal Energy

    Energy Technology Data Exchange (ETDEWEB)

    Steele, B.C.; Harman, G.; Pitsenbarger, J. [eds.


    Geothermal Energy Technology (GET) announces on a bimonthly basis the current worldwide information available on the technologies required for economic recovery of geothermal energy and its use as direct heat or for electric power production.

  10. Alternative Energies

    Energy Technology Data Exchange (ETDEWEB)

    Planting, A.; De saint Jacob, Y.; Verwijs, H.; Belin, H.; Preesman, L.


    In two articles, one interview and one column attention is paid to alternative energies. The article 'A new light on saving energy' discusses the option to save energy by modernising lighting systems in urban areas. The column 'View from Paris' focuses on investment decisions in France with regard to renewable energy and energy savings. The article 'Europe turns a blind eye to big battery' discusses developments in batteries to store energy. The interview concerns fuel cell expert and formerly President of UTC Power Jan van Dokkum. The last article gives a brief overview of the European Energy Research Alliance (EERA) and the challenges this alliance will have to face with regard to climate change and energy security.

  11. Energy storage

    CERN Document Server

    Brunet, Yves


    Energy storage examines different applications such as electric power generation, transmission and distribution systems, pulsed systems, transportation, buildings and mobile applications. For each of these applications, proper energy storage technologies are foreseen, with their advantages, disadvantages and limits. As electricity cannot be stored cheaply in large quantities, energy has to be stored in another form (chemical, thermal, electromagnetic, mechanical) and then converted back into electric power and/or energy using conversion systems. Most of the storage technologies are examined: b

  12. Geothermal Energy. (United States)

    Eaton, William W.

    Described are the origin and nature of geothermal energy. Included is the history of its development as an energy source, technological considerations affecting its development as an energy source, its environmental effects, economic considerations, and future prospects of development in this field. Basic system diagrams of the operation of a…

  13. Energy requirements

    NARCIS (Netherlands)

    Hulzebos, Christian V.; Sauer, Pieter J. J.

    The determination of the appropriate energy and nutritional requirements of a newborn infant requires a clear goal of the energy and other compounds to be administered, valid methods to measure energy balance and body composition, and knowledge of the neonatal metabolic capacities. Providing an

  14. Energy Storage. (United States)

    Eaton, William W.

    Described are technological considerations affecting storage of energy, particularly electrical energy. The background and present status of energy storage by batteries, water storage, compressed air storage, flywheels, magnetic storage, hydrogen storage, and thermal storage are discussed followed by a review of development trends. Included are…

  15. Geothermal Energy

    Energy Technology Data Exchange (ETDEWEB)

    Steele, B.C.; Pichiarella, L.S. [eds.; Kane, L.S.; Henline, D.M.


    Geothermal Energy (GET) announces on a bimonthly basis the current worldwide information available on the technologies required for economic recovery of geothermal energy and its use as direct heat or for electric power production. This publication contains the abstracts of DOE reports, journal articles, conference papers, patents, theses, and monographs added to the Energy Science and Technology Database during the past two months.

  16. Energy Digest. (United States)

    Gaddy, Carol T., Ed.; Wells, Kathy, Ed.

    This collection of reprints offers practical solutions, not readily available elsewhere, to everyday energy problems, such as high utility bills, insulating windows, getting more gas mileage, or buying a more efficient washer or refrigerator. The Arkansas Energy Office provides a weekly column of energy news and conservation tips to newspapers,…

  17. Greenhouse gas emissions and energy balance of palm oil biofuel

    Energy Technology Data Exchange (ETDEWEB)

    de Souza, Simone Pereira; Pacca, Sergio [Graduate Program on Environmental Engineering Science, School of Engineering of Sao Carlos, University of Sao Paulo, Rua Arlindo Bettio, 1000 Sao Paulo (Brazil); de Avila, Marcio Turra; Borges, Jose Luiz B. [Brazilian Agricultural Research Corporation (Embrapa - Soja) (Brazil)


    based on the information provided by other authors resulted in 2406 kg CO{sub 2}e/ha, on average. The Angarita et al. (2009) [Angarita EE, Lora EE, Costa RE, Torres EA. The energy balance in the palm oil-derived methyl ester (PME) life cycle for the cases in Brazil and Colombia. Renewable Energy 2009;34:2905-13] study does not report emissions. When compared to diesel on a energy basis, avoided emissions due to the use of biodiesel account for 80 g CO{sub 2}e/MJ. Thus, avoided life cycle emissions associated with the use of biodiesel yield a net reduction of greenhouse gas emissions. We also assessed the carbon balance between a palm tree plantation, including displaced emissions from diesel, and a natural ecosystem. Considering the carbon balance outcome plus life cycle emissions the payback time for a tropical forest is 39 years. The result published by Gibbs et al. (2008) [Gibbs HK, Johnston M, Foley JA, Holloway T, Monfreda C, Ramankutty N, et al., Carbon payback times for crop-based biofuel expansion in the tropics: the effects of changing yield and technology. Environmental Research Letters 2008;3:10], which ignores life cycle emissions, determined a payback range for biodiesel production between 30 and 120 years. (author)

  18. Renewable Energy

    DEFF Research Database (Denmark)

    Sørensen, Bent Erik

    Bent Sorensen’s Renewable Energy: Physics, Engineering, Environmental Impacts, Economics and Planning, Fifth Edition, continues the tradition by providing a thorough and current overview of the entire renewable energy sphere. Since its first edition, this standard reference source helped put...... renewable energy on the map of scientific agendas. Several renewable energy solutions no longer form just a marginal addition to energy supply, but have become major players, with the promise to become the backbone of an energy system suitable for life in the sustainability lane. This volume is a problem...... structured around three parts in order to assist readers in focusing on the issues that impact them the most for a given project or question. PART I covers the basic scientific principles behind all major renewable energy resources, such as solar, wind, and biomass. PART II provides in-depth information...

  19. Energy Audits. Energy Technology Series. (United States)

    Center for Occupational Research and Development, Inc., Waco, TX.

    This course in energy audits is one of 16 courses in the Energy Technology Series developed for an Energy Conservation-and-Use Technology curriculum. Intended for use in two-year postsecondary technical institutions to prepare technicians for employment, the courses are also useful in industry for updating employees in company-sponsored training…

  20. Solar energy

    Energy Technology Data Exchange (ETDEWEB)

    Sommer-Larsen, P.; Krebs, F.C. (Risoe DTU, Roskilde (Denmark)); Plaza, D.M. (Plataforma Solar de Almeria-CIEMAT (Spain))


    Solar energy is the most abundant energy resource on earth. In a sustainable future with an ever-increasing demand for energy, we will need to use this resource better. Solar energy technologies either convert sunlight directly into heat and electrical energy or use it to power chemical conversions which create 'solar fuels' or synthetic compounds. Solar heating technologies have developed steadily for many years and solar heating and cooling is one of the world's commonest renewable energy technologies. This chapter, however, focuses on technologies for electricity production and touches more briefly on the prospects for solar fuels. The section on Danish perspectives also discusses solar thermal heating in district heating plants. In recent decades, two technologies for converting solar energy into electrical energy have dominated: photovoltaics (PV) and concentrating solar power (CSP). Today's silicon and thin-film PV technologies are advancing steadily, with new materials and technologies constantly being developed, and there are clear roadmaps for lowering production costs. In the discussion below we assess the maturation potential of currently emerging PV technologies within the next 40 years. Concentrating solar power is already a proven technology, and below we evaluate its potential to become a substantial part of the energy mix by 2050. Solar fuels cover a range of technologies. The chapter is to a great extent based on two recent roadmaps from the International Energy Agency (IEA). Many reports, predictions, scenarios and roadmaps for solar energy deployment exist. The IEA predictions for the penetration of solar energy in the future energy system are low relative to many of the other studies. The IEA roadmaps, however, cover most aspects of the future deployment of the technologies and reference older work. (Author)

  1. Transporation Energy

    Energy Technology Data Exchange (ETDEWEB)

    Clifford Mirman; Promod Vohra


    This Transportation Energy Project is comprised of four unique tasks which work within the railroad industry to provide solutions in various areas of energy conservation. These tasks addressed: energy reducing yard related decision issues; alternate fuels; energy education, and energy storage for railroad applications. The NIU Engineering and Technology research team examined these areas and provided current solutions which can be used to both provide important reduction in energy usage and system efficiency in the given industry. This project also sought a mode in which rural and long-distance education could be provided. The information developed in each of the project tasks can be applied to all of the rail companies to assist in developing efficiencies.

  2. Applied energy an introduction

    CERN Document Server

    Abdullah, Mohammad Omar


    Introduction to Applied EnergyGeneral IntroductionEnergy and Power BasicsEnergy EquationEnergy Generation SystemsEnergy Storage and MethodsEnergy Efficiencies and LossesEnergy industry and Energy Applications in Small -Medium Enterprises (SME) industriesEnergy IndustryEnergy-Intensive industryEnergy Applications in SME Energy industriesEnergy Sources and SupplyEnergy SourcesEnergy Supply and Energy DemandEnergy Flow Visualization and Sankey DiagramEnergy Management and AnalysisEnergy AuditsEnergy Use and Fuel Consumption StudyEnergy Life-Cycle AnalysisEnergy and EnvironmentEnergy Pollutants, S

  3. Energy saver

    Energy Technology Data Exchange (ETDEWEB)



    This publication aims to assist the businessman to save money and increase profits by demonstrating how to use energy efficiently. It is aimed at both the technically qualified and unqualified energy practitioner. Published in ring-binder form it enables the user to add supplements whenever they are published, enabling the user to keep up-to-date with the latest technology for energy savings. (UK)

  4. Energy Industry

    National Research Council Canada - National Science Library

    Butler, James; Bekbenbetov, Marat; Coffman, Katherine; Davies, Kirk; Farrar, Michael R; Fletcher, Scott N; Hall, Robert; Kljajic, Senad; Koprucu, Feza; Leek, Kevin


    .... This policy must address energy supply stability, support infrastructure improvements, promote greater use of nuclear power, and reduce hazardous emissions through the development of cleaner burning...

  5. Solar energy (United States)

    Rapp, D.


    The book opens with a review of the patterns of energy use and resources in the United States, and an exploration of the potential of solar energy to supply some of this energy in the future. This is followed by background material on solar geometry, solar intensities, flat plate collectors, and economics. Detailed attention is then given to a variety of solar units and systems, including domestic hot water systems, space heating systems, solar-assisted heat pumps, intermediate temperature collectors, space heating/cooling systems, concentrating collectors for high temperatures, storage systems, and solar total energy systems. Finally, rights to solar access are discussed.

  6. Energy: nuclear energy; Energies: l'energie nucleaire

    Energy Technology Data Exchange (ETDEWEB)

    Lung, M. [Societe Generale pour les Techniques Nouvelles (SGN), 78 - Saint-Quentin-en-Yvelines (France)


    Convinced that the nuclear energy will be the cleaner, safer, more economical and more respectful of the environment energy of the future, the author preconizes to study the way it can be implemented, to continue to improve its production, to understand its virtues and to better inform the public. He develops this opinion in the presentation of the principal characteristics of the nuclear energy: technology, radioactive wastes, radiation protection, the plutonium, the nuclear accidents, the proliferation risks, the economics and nuclear energy and competitiveness, development and sustainability. (A.L.B.)

  7. Wind Energy

    Energy Technology Data Exchange (ETDEWEB)

    Ganley, Jason; Zhang, Jie; Hodge, Bri-Mathias


    Wind energy is a variable and uncertain renewable resource that has long been used to produce mechanical work, and has developed into a large producer of global electricity needs. As renewable sources of energy and feedstocks become more important globally to produce sustainable products, many different processes have started adopting wind power as an energy source. Many times this is through a conversion to hydrogen through electrolysis that allows for a more continuous process input. Other important pathways include methanol and ammonia. As the demand for sustainable products and production pathways increases, and wind power capital costs decrease, the role of wind power in chemical and energy production seems poised to increase significantly.

  8. Measurement of solid-liquid interfacial energy in the In-Bi eutectic alloy at low melting temperature

    Energy Technology Data Exchange (ETDEWEB)

    Marasli, N [Department of Physics, Faculty of Arts and Sciences, Erciyes University, 38039 Kayseri (Turkey); Akbulut, S [Institute of Science and Technology, Department of Physics, Erciyes University, 38039 Kayseri (Turkey); Ocak, Y [Department of Physics, Faculty of Arts and Sciences, Erciyes University, 38039 Kayseri (Turkey); Keslioglu, K [Department of Physics, Faculty of Arts and Sciences, Erciyes University, 38039 Kayseri (Turkey); Boeyuek, U [Institute of Science and Technology, Department of Physics, Erciyes University, 38039 Kayseri (Turkey); Kaya, H [Department of Science Education, Education Faculty, Erciyes University, 38039 Kayseri (Turkey); Cadirli, E [Department of Physics, Faculty of Arts and Sciences, Nigde University, Nigde (Turkey)


    The Gibbs-Thomson coefficient and solid-liquid interfacial energy of the solid In solution in equilibrium with In Bi eutectic liquid have been determined to be (1.46 {+-} 0.07) x 10{sup -7} K m and (40.4 {+-} 4.0) x 10{sup -3} J m{sup -2} by observing the equilibrated grain boundary groove shapes. The grain boundary energy of the solid In solution phase has been calculated to be (79.0 {+-} 8.7) x 10{sup -3} J m{sup -2} by considering force balance at the grain boundary grooves. The thermal conductivities of the In-12.4 at.% Bi eutectic liquid phase and the solid In solution phase and their ratio at the eutectic melting temperature (72 deg. C) have also been measured with radial heat flow apparatus and Bridgman-type growth apparatus.

  9. The mass and energy balance of ice within the Eisriesenwelt cave, Austria

    Directory of Open Access Journals (Sweden)

    F. Obleitner


    Full Text Available Meteorological measurements were performed in a prominent ice cave (Eisriesenwelt, Austria during a full annual cycle. The data show the basic features of a dynamically ventilated cave system with a well distinguished winter and summer regime.

    The calculated energy balance of the cave ice is largely determined by the input of long-wave radiation originating at the host rock surface. On average the turbulent fluxes withdraw energy from the surface. This is more pronounced during winter due to enhanced circulation and lower humidity. During summer the driving gradients reverse sign and the associated fluxes provide energy for melt.

    About 4 cm of ice were lost at the measurement site during a reference year. This was due to some sublimation during winter, while the major loss resulted from melt during summer. Small amounts of accumulation occurred during spring due to refreezing of seepage water.

    These results are largely based on employing a numerical mass and energy balance model. Sensitivity studies prove reliability of the calculated energy balance regarding diverse measurement uncertainties and show that the annual mass balance of the ice strongly depends on cave air temperature during summer and the availability of seepage water in spring.

  10. Calculation of partition functions and free energies of a binary mixture using the energy partitioning method: application to carbon dioxide and methane. (United States)

    Do, Hainam; Hirst, Jonathan D; Wheatley, Richard J


    It is challenging to compute the partition function (Q) for systems with enormous configurational spaces, such as fluids. Recently, we developed a Monte Carlo technique (an energy partitioning method) for computing Q [ J. Chem. Phys. 2011 , 135 , 174105 ]. In this paper, we use this approach to compute the partition function of a binary fluid mixture (carbon dioxide + methane); this allows us to obtain the Helmholtz free energy (F) via F = -k(B)T ln Q and the Gibbs free energy (G) via G = F + pV. We then utilize G to obtain the coexisting mole fraction curves. The chemical potential of each species is also obtained. At the vapor-liquid equilibrium condition, the chemical potential of methane significantly increases, while that of carbon dioxide slightly decreases, as the pressure increases along an isotherm. Since Q is obtained from the density of states, which is independent of the temperature, equilibrium thermodynamic properties at any condition can be obtained by varying the total composition and volume of the system. Our methodology can be adapted to explore the free energies of other binary mixtures in general and of those containing CO(2) in particular. Since the method gives access to the free energy and chemical potentials, it will be useful in many other applications.

  11. Energy harvester

    NARCIS (Netherlands)

    Herder, J.L.; Tolou, N.


    Energy harvester comprising a mass (2) that is subjectable to environmental forces for bringing it into the status of a moving mass, and means (5) linked to the mass (2) for converting and storing of energy embodied in the moving mass, which means (5) are arranged for subsequent release of said

  12. Renewable energy

    DEFF Research Database (Denmark)

    Olsen, Birgitte Egelund


    Renewable energy projects are increasingly confronted by local opposition, which delays and sometimes even prevents their implementation. This reflects the frequent gap between support for the general idea of renewables as a strategy for reducing carbon emissions, and acceptance of renewable energy...

  13. Energy Adventure. (United States)

    Oak Ridge Associated Universities, TN.

    Designed as an interdisciplinary, supplemental teaching guide, this document provides fundamental information about energy supply, use, and conservation and related learning activities for secondary students. Eight units address the following topics: energy history, petroleum, natural gas, coal, electricity, alternative sources, energy…

  14. Renewable Energy

    NARCIS (Netherlands)

    Turkenburg, W.C.; Arent, D.; Bertani, R.; Faaij, A.P.C.; Hand, M.; Krewitt, W.; Larson, E.D.; Lund, J.; Mehos, M.; Merrigan, T.; Mitchell, C.; Moreira, J.R.; Sinke, W.C.; Sonntag-O'Brien, V.; Thresher, B.; Sark, W.G.J.H.M. van; Usher, E.


    This chapter presents an in-depth examination of major renewable energy technologies, including their installed capacity and energy supply in 2009 , the current state of market and technology development, their economic and financial feasibility in 2009 and in the near future, as well as major

  15. Energy Monitoring

    DEFF Research Database (Denmark)

    Hansen, Claus T.; Madsen, Dines; Christiensen, Thomas

    Energy measurement has become an important aspect of our daily lives since we have learned that energy consumption, is one of the main source of global warming. Measuring instruments varies from a simple watt-meter to more sophisticated microprocessor control devices. The negative effects...... that fossil fuels induce on our environment has forced us to research renewable energy such as sunlight, wind etc. This new environmental awareness has also helped us to realize the importance of monitoring and controlling our energy use. The main purpose in this research is to introduce a more sophisticated...... but affordable way to monitor energy consumption of individuals or groups of home appliances. By knowing their consumption the utilization can be regulated for more efficient use. A prototype system has been constructed to demonstrate our idea....

  16. Energy Choices. Energy markets; Vaegval Energi. Energimarknader

    Energy Technology Data Exchange (ETDEWEB)

    Damsgaard, Niclas (Econ Poeyry AB, Stockholm (Sweden))


    Each of the major energy markets for oil, coal, natural gas, biofuels and electricity has its own character. But markets are dependent on each other in an often complicated way. This interconnection has become even more complex since the market for emissions trading began in Europe in 2005. This report describes the current situation of the different energy markets but also the relationships between them, and some possible future scenarios. The oil market is global, but is dominated by a few producing countries. Coal is traded on the international market with good competition and over time probably a stable price. Other markets are more regional or even local. One example is the natural gas market. In the current situation of natural gas is not particularly important for Sweden's energy supply, but very much so in a European perspective. There may be repercussions also in Sweden. The gas price ups and downs are important for the price of emission rights and electricity. Biofuel markets ranging from global markets, such as ethanol, to regional or local markets, depending on processing. Only with the creation of a single trading venue, Nordpool was a common pricing of electricity possible in the Nordic region. In the near future we will have a common electricity market covering at least the Nordic region and northwestern Europe. This does not mean that prices will become equalized, for that further expansion of the transmission capacity is needed. It is possible to imagine several scenarios for future energy markets, but the interaction between the different markets will persist. To develop appropriate instruments is of great importance to achieve the political objectives in the energy field the next decade

  17. Ocean energies

    Energy Technology Data Exchange (ETDEWEB)

    Charlier, R.H. (Univ. of Brussels (Belgium)); Justus, J.R. (The Library of Congress, CRS/SPRD, Washington, DC (United States))


    This timely volume provides a comprehensive review of current technology for all ocean energies. It opens with an analysis of ocean thermal energy conversion (OTEC), with and without the use of an intermediate fluid. The historical and economic background is reviewed, and the geographical areas in which this energy could be utilized are pinpointed. The production of hydrogen as a side product, and environmental consequences of OTEC plants are considered. The competitiveness of OTEC with conventional sources of energy is analysed. Optimisation, current research and development potential are also examined. Separate chapters provide a detailed examination of other ocean energy sources. The possible harnessing of solar ponds, ocean currents, and power derived from salinity differences is considered. There is a fascinating study of marine winds, and the question of using the ocean tides as a source of energy is examined, focussing on a number of tidal power plant projects, including data gathered from China, Australia, Great Britain, Korea and the USSR. Wave energy extraction has excited recent interest and activity, with a number of experimental pilot plants being built in northern Europe. This topic is discussed at length in view of its greater chance of implementation. Finally, geothermal and biomass energy are considered, and an assessment of their future is given. The authors also distinguished between energy schemes which might be valuable in less-industrialized regions of the world, but uneconomical in the developed countries. A large number of illustrations support the text. This book will be of particular interest to energy economists, engineers, geologists and oceanographers, and to environmentalists and environmental engineers

  18. Geothermal energy

    Directory of Open Access Journals (Sweden)

    Manzella A.


    Full Text Available Geothermal technologies use renewable energy resources to generate electricity and direct use of heat while producing very low levels of greenhouse-gas (GHG emissions. Geothermal energy is the thermal energy stored in the underground, including any contained fluid, which is available for extraction and conversion into energy products. Electricity generation, which nowadays produces 73.7 TWh (12.7 GW of capacity worldwide, usually requires geothermal resources temperatures of over 100 °C. For heating, geothermal resources spanning a wider range of temperatures can be used in applications such as space and district heating (and cooling, with proper technology, spa and swimming pool heating, greenhouse and soil heating, aquaculture pond heating, industrial process heating and snow melting. Produced geothermal heat in the world accounts to 164.6 TWh, with a capacity of 70.9 GW. Geothermal technology, which has focused for decades on extracting naturally heated steam or hot water from natural hydrothermal reservoirs, is developing to more advanced techniques to exploit the heat also where underground fluids are scarce and to use the Earth as a potential energy battery, by storing heat. The success of the research will enable energy recovery and utilization from a much larger fraction of the accessible thermal energy in the Earth’s crust.

  19. Geothermal energy (United States)

    Manzella, A.


    Geothermal technologies use renewable energy resources to generate electricity and direct use of heat while producing very low levels of greenhouse-gas (GHG) emissions. Geothermal energy is the thermal energy stored in the underground, including any contained fluid, which is available for extraction and conversion into energy products. Electricity generation, which nowadays produces 73.7 TWh (12.7 GW of capacity) worldwide, usually requires geothermal resources temperatures of over 100 °C. For heating, geothermal resources spanning a wider range of temperatures can be used in applications such as space and district heating (and cooling, with proper technology), spa and swimming pool heating, greenhouse and soil heating, aquaculture pond heating, industrial process heating and snow melting. Produced geothermal heat in the world accounts to 164.6 TWh, with a capacity of 70.9 GW. Geothermal technology, which has focused for decades on extracting naturally heated steam or hot water from natural hydrothermal reservoirs, is developing to more advanced techniques to exploit the heat also where underground fluids are scarce and to use the Earth as a potential energy battery, by storing heat. The success of the research will enable energy recovery and utilization from a much larger fraction of the accessible thermal energy in the Earth's crust.

  20. Inquiries into the Nature of Free Energy and Entropy in Respect to Biochemical Thermodynamics

    Directory of Open Access Journals (Sweden)

    Clinton D. Stoner


    Full Text Available Free energy and entropy are examined in detail from the standpoint of classical thermodynamics. The approach is logically based on the fact that thermodynamic work is mediated by thermal energy through the tendency for nonthermal energy to convert spontaneously into thermal energy and for thermal energy to distribute spontaneously and uniformly within the accessible space. The fact that free energy is a Second-Law, expendable energy that makes it possible for thermodynamic work to be done at finite rates is emphasized. Entropy, as originally defined, is pointed out to be the capacity factor for thermal energy that is hidden with respect to temperature; it serves to evaluate the practical quality of thermal energy and to account for changes in the amounts of latent thermal energies in systems maintained at constant temperature. With entropy thus operationally defined, it is possible to see that TDS° of the Gibbs standard free energy relation DG°= DH°-TDS° serves to account for differences or changes in nonthermal energies that do not contribute to DG° and that, since DH° serves to account for differences or changes in total energy, complete enthalpy-entropy (DH° - TDS° compensation must invariably occur in isothermal processes for which TDS° is finite. A major objective was to clarify the means by which free energy is transferred and conserved in sequences of biological reactions coupled by freely diffusible intermediates. In achieving this objective it was found necessary to distinguish between a 'characteristic free energy' possessed by all First-Law energies in amounts equivalent to the amounts of the energies themselves and a 'free energy of concentration' that is intrinsically mechanical and relatively elusive in that it can appear to be free of First-Law energy. The findings in this regard serve to clarify the fact that the transfer of chemical potential energy from one

  1. Hydro-energy; Energie hydraulique

    Energy Technology Data Exchange (ETDEWEB)

    Bacher, P. [Electricite de France (EDF), 75 - Paris (France); Tardieu, B. [Coyne et Bellier, 92 - Gennevilliers (France)


    The first part of this study concerns the different type of hydraulic works. The second part presents the big hydro-energy, its advantages and disadvantages, the industrial risks, the electric power transport network, the economy and the development perspectives. The third part presents the little hydro-energy, its advantages and disadvantages, the decentralized production and the development perspectives. (A.L.B.)

  2. Energy materials

    CERN Document Server

    Bruce, Duncan W; Walton, Richard I


    In an age of global industrialisation and population growth, the area of energy is one that is very much in the public consciousness. Fundamental scientific research is recognised as being crucial to delivering solutions to these issues, particularly to yield novel means of providing efficient, ideally recyclable, ways of converting, transporting and delivering energy. This volume considers a selection of the state-of-the-art materials that are being designed to meet some of the energy challenges we face today. Topics are carefully chosen that show how the skill of the synthetic chemist can

  3. Energy generation

    CSIR Research Space (South Africa)

    Osburn, L


    Full Text Available be placed in areas of high average wind speeds in order to be as economical as possible. Care should be taken so that the turbine is not placed in the flight paths of birds or bats as they have difficulty in detecting the rapidly moving blades...:865–879. Richards.B.S and Watt.M.E, 2007, Permanently dispelling a myth of photovoltaics via the adoption of a new net energy indicator, Renewable and Sustainable Energy Reviews 11, 162–172. Leithead.W.E, 2007, Wind energy, The Royal Society. Eltrop...

  4. Clean energy, renewable energies; Energie propre, energies renouvelables

    Energy Technology Data Exchange (ETDEWEB)



    This document is the compilation of the 4 issues of the 'energie propre - energie renouvelables' newsletter published by the regional energy agency of Provence-Alpes-Cote d'Azur region (ARENE). Each issue is a technical file presenting a particular facility or installation: the pico-hydraulic power plant of the Allos lake (Mercantour, French Alps), the 'Chute de la Guerche' and 'Chute de Chastillon' hydraulic power plant exploited by the Isola town; the pico-hydraulic power plant of the drinkable water network of Hameau des Agnielles village, the direct solar thermal floor. (J.S.)

  5. Geochemical Energy for Catabolism and Anabolism in Hydrothermal Systems (United States)

    Amend, J. P.; McCollom, T. M.; Bach, W.


    Chemically reduced deep-sea vent fluids mixed with oxidized seawater can generate redox disequilibria that serve as energy sources for chemolithoautotrophic (catabolism) and biomass synthesis (anabolism) reactions. Numerical models can be used to evaluate Gibbs energies of such processes on the early Earth and in present-day systems. Here, geochemical data from compositionally diverse vent fluids (Lost City, Rainbow, Logatchev, TAG, 21 °N EPR) are combined with several seawater chemistries to yield a wide range of mixed hydrothermal solutions; this is the starting point for our thermodynamic calculations. In ultramafic-hosted hydrothermal systems, such as Rainbow or Lost City, aerobic chemolithotrophic catabolisms (oxidation of H2, FeII, CH4) are the most energy-yielding at low temperatures (<25 °C); at elevated temperatures, the anaerobic counterparts (e.g., sulfate reduction, methanogenesis) dominate. In basalt-hosed systems, such as TAG and 21 °N EPR, aerobic sulfide oxidation appears to dominate over much of the microbially-relevant temperature range. Such catabolic reaction energetics can then be used to put constraints on the amount of primary biomass production. Under putative early Earth conditions, for example, the net chemoautotrophic synthesis of cellular building blocks is thermodynamically most favorable at moderate temperatures (~50°C), where the energy contributions from HCO3- and H+ in cool seawater coupled to the reducing power in hot vent fluid are optimized. At these conditions, and counter to conventional wisdom, the synthesis of amino acids may even yield small amounts of energy.

  6. Renewable Energies (United States)

    Ditterich, Barbara


    The purpose of this project was to expose middle school students to a variety of alternative energy sources with a variety of practical applications. It was part of an Austria-wide IMST-project (IMST stands for innovation makes students strong). As part of this exposure, several classes of about 80 students visited a number of locations for alternative energy resources, including a hydroelectric site, a biological energy plant, a wind turbine manufacturing plant, a water purification station as well as others others. A short film was made to document the project in order that non-participants in the class could also gain knowledge on alternative energy. The three minute film will be shown at the poster.

  7. Tidal Energy. (United States)

    Impact of Science on Society, 1987


    States that tidal power projects are feasible in a relatively limited number of locations around the world. Claims that together they could theoretically produce the energy equivalent to more than one million barrels of oil per year. (TW)

  8. Salinity Energy. (United States)

    Schmitt, Walter R.


    Discussed are the costs of deriving energy from the earth's natural reserves of salt. Argues that, as fossil fuel supplies become more depleted in the future, the environmental advantages of salinity power may prove to warrant its exploitation. (TW)

  9. Energy behavior

    Energy Technology Data Exchange (ETDEWEB)

    Stern, P.C.; Kirkpatrick, E.M.


    The energy crisis is approached as a social and psychological problem with solutions based on an understanding of principles of attitude and behavior change. Propaganda calling for voluntary energy conservation has had little effect, and incentive systems present several serious drawbacks. The author believes that the ideal role of both incentives and persuasion is to influence the behavior of groups who in turn would maintain individual behavior and attitudes by social pressure. Thus a program of incentives and education directed at groups of people may effectively increase conservation and change related attitudes without increasing reactance. The author presents 2 strategies to cope with the energy problem: one relies strongly on government action, combining appeal to national feelings and a threat to future coercion to change attitudes and behavior; the other uses incentives to communities for conservation and development of renewable energy resources.

  10. Energy absorber

    Energy Technology Data Exchange (ETDEWEB)

    Heyen, J.


    The collection of solar energy, radiated onto roofs, is the goal of this invention, to supply a heating system. The invention is based on the utilization of sealing webs. The prefered material for such energy absorbers is ethylen-copolymer-bitumen. Two each of the bitumen sheets are bonded together to form a bag flown through bag the heat transfer medium. The bag simultaneously serves for roof sealing.

  11. Energy Storage

    Energy Technology Data Exchange (ETDEWEB)

    Mukundan, Rangachary [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)


    Energy storage technology is critical if the U.S. is to achieve more than 25% penetration of renewable electrical energy, given the intermittency of wind and solar. Energy density is a critical parameter in the economic viability of any energy storage system with liquid fuels being 10 to 100 times better than batteries. However, the economical conversion of electricity to fuel still presents significant technical challenges. This project addressed these challenges by focusing on a specific approach: efficient processes to convert electricity, water and nitrogen to ammonia. Ammonia has many attributes that make it the ideal energy storage compound. The feed stocks are plentiful, ammonia is easily liquefied and routinely stored in large volumes in cheap containers, and it has exceptional energy density for grid scale electrical energy storage. Ammonia can be oxidized efficiently in fuel cells or advanced Carnot cycle engines yielding water and nitrogen as end products. Because of the high energy density and low reactivity of ammonia, the capital cost for grid storage will be lower than any other storage application. This project developed the theoretical foundations of N2 catalysis on specific catalysts and provided for the first time experimental evidence for activation of Mo 2N based catalysts. Theory also revealed that the N atom adsorbed in the bridging position between two metal atoms is the critical step for catalysis. Simple electrochemical ammonia production reactors were designed and built in this project using two novel electrolyte systems. The first one demonstrated the use of ionic liquid electrolytes at room temperature and the second the use of pyrophosphate based electrolytes at intermediate temperatures (200 – 300 ºC). The mechanism of high proton conduction in the pyrophosphate materials was found to be associated with a polyphosphate second phase contrary to literature claims and ammonia production rates as high as 5X 10

  12. Energy awareness

    Energy Technology Data Exchange (ETDEWEB)


    The objective of the Symposium for Public Awareness on Energy was to provide an information exchange among the members of the technical community and the public, civic, fraternal, service, and labor organizations on timely energy-related issues. The 1977 symposium was oriented toward state and local governmental officials in the southeastern states. Since it is these officials who have the responsibility for the development and actualization of local energy strategies, the program was directed toward providing information which would be of help to them in considering energy plans. The symposium presentations featured speakers who are recognized in many facets of the energy field. A variety of views were expressed and a number of policy alternatives were suggested. It is hoped that the presentations provided the motivation for the audience to return to their respective communities with a new and expanded perspective regarding energy issues and policies. The private and public organizations represented at the symposium can continue to provide pertinent information to those who are interested. A separate abstract was prepared for each of the 9 presentations.

  13. Brazilian energy

    Energy Technology Data Exchange (ETDEWEB)

    O`Shaughnessy, H.


    Brazilian Energy provides all the information necessary for energy companies to invest and operate in Brazil, including: a review of Brazil`s natural resources; an assessment of privatisation strategies at the federal, state and regional level; an analysis of the electricity industry and the future for Electrobras; an analysis of the oil industry and, in particular, Petrobras; a discussion of the fuel alcohol industry; the discovery of local natural gas, its prospects and the involvement of the auto industry; an assessment of the problems facing the coal industry and its future; a discussion of the regulatory framework for the newly privatised companies; the importance of intra-regional energy links and the booming membership of Mercosur; the difficulties experienced by foreign investors doing business in Brazil; brief profiles of the key energy companies; profiles of key people influencing the privatisation process in Brazil. Brazilian energy is essential reading for those wishing to advise and assist Brazil in this period of change and development, as well as those who wish to invest or become key players in the Brazilian energy sector. (author)

  14. Carbohydrates as a source of energy and matter for the origin of life (United States)

    Weber, A. L.


    Recently, we proposed a new model of early glycolysis in which the oxidation of glyceraldehyde self-hemiacetals yielded energy rich polyglyceric acid instead of energy rich thioesters. In this model, polyglyceric acid not only acts as an energy source for phosphoanhydride synthesis, but also as an autocatalyst that can replicate the sequence of D and L residues in its structure. We began our investigation of this new hypothesis - the triose model - by developing a thermal method for the racemization-free synthesis of polyglyceric acid. The hydrolytic stability and the role of chirality in interactions of polyglyceric acid were studied using this thermal polymer. Next, we established that the 2- and 3-glycerol esters of polyglyceric acid are energy rich by measuring the Gibbs free energy change of hydrolysis of the 2- and 3-glycerol esters of 2 and 3-O-L glyceroyl-glyceric acid methyl ester - a model of polyglyceric acid. Recently, we discovered that glyceraldehyde is bound and oxidized to glyceric acid on the surface of ferric hydroxide and that soluble ferric ion catalyzes the rearrangement of glyceraldehyde to lactic acid. We are exploring the possibility that these reactions could yield polyglyceric acid and polylactic acid under plausible prebiotic conditions.

  15. Energy development (United States)

    Lovich, Jeffrey E.; Jones, L.L.C.; Lovich, R. L.; Halama, K.J.


    Large areas of the desert southwest are currently developed or being evaluated for construction of utility-scale renewable energy projects. These projects include numerous solar and wind energy facilities some of which will be massive. Unfortunately, peer-reviewed scientific publications are not yet available to evaluate the potential effects of solar-based utility-scale renewable energy development (USRED) on any species of wildlife, including amphibians and reptiles (herpetofauna). Scientific publications on the effects of wind-based USRED and operation (USREDO) are focused almost exclusively on flying wildlife including birds and bats. To the best of our knowledge the only publications on the effects of wind-based USREDO on herpetofauna are three publications on desert tortoise ecology at a wind energy facility near Palm Springs, California. Those studies suggested that not all effects of USREDO were detrimental in the short-term. However, additional research is required to determine if wind energy operation is compatible with conservation of this long-lived species over longer periods of time.

  16. Geothermal energy

    Directory of Open Access Journals (Sweden)

    Manzella A.


    Full Text Available Geothermal technologies use renewable energy resources to generate electricity and direct use of heat while producing very low levels of greenhouse-gas (GHG emissions. Geothermal energy is stored in rocks and in fluids circulating in the underground. Electricity generation usually requires geothermal resources temperatures of over 100°C. For heating, geothermal resources spanning a wider range of temperatures can be used in applications such as space and district heating (and cooling, with proper technology, spa and swimming pool heating, greenhouse and soil heating, aquaculture pond heating, industrial process heating and snow melting. Geothermal technology, which has focused so far on extracting naturally heated steam or hot water from natural hydrothermal reservoirs, is developing to more advanced techniques to exploit the heat also where underground fluids are scarce and to use the Earth as a potential energy battery, by storing heat. The success of the research will enable energy recovery and utilization from a much larger fraction of the accessible thermal energy in the Earth’s crust.

  17. Energy Deskbook

    Energy Technology Data Exchange (ETDEWEB)

    Glasstone, S


    The purpose of the Energy Deskbook is to serve as a convenient reference to definitions of energy-related terms and descriptions of current and potential energy sources and their utilization. The material is presented at a low technical level with emphasis on general principles, which are not difficult to understand, rather than technology. The entries vary in length from a few lines to several pages, according to circumstances. As a general rule, each topic is defined and outlined in the first paragraph; this may be followed by a more detailed treatment, as required. An important feature of the Deskbook is the use of boldface (heavy) type for cross references. Words in the text set in boldface are the titles of articles where the particular subjects are described.

  18. Energy Futures

    DEFF Research Database (Denmark)

    Davies, Sarah Rachael; Selin, Cynthia


    foresight and public and stakeholder engagement are used to reflect on?and direct?the impacts of new technology. In this essay we draw on our experience of anticipatory governance, in the shape of the ?NanoFutures? project on energy futures, to present a reflexive analysis of engagement and deliberation. We...... draw out five tensions of the practice of deliberation on energy technologies. Through tracing the lineages of these dilemmas, we discuss some of the implications of these tensions for the practice of civic engagement and deliberation in a set of questions for this community of practitioner-scholars....

  19. Moving Energy

    Energy Technology Data Exchange (ETDEWEB)

    Rameau, Jon; Crabtree, George; Greene, Laura; Kwok, Wai; Johnson, Peter; Tsvelik, Alexei [Artist


    Representing the Center for Emergent Superconductivity (CES), this document is one of the entries in the Ten Hundred and One Word Challenge. As part of the challenge, the 46 Energy Frontier Research Centers were invited to represent their science in images, cartoons, photos, words and original paintings, but any descriptions or words could only use the 1000 most commonly used words in the English language, with the addition of one word important to each of the EFRCs and the mission of DOE: energy. The mission of the CES is to discover new high-temperature superconductors and improve the performance of known superconductors by understanding the fundamental physics of superconductivity.

  20. Energy Efficiency

    DEFF Research Database (Denmark)

    Petrichenko, Ksenia; Farrell, Timothy Clifford; Thorsch Krader, Thomas


    This report was commissioned by REN21 and produced in collaboration with a global network of research partners. Financing was provided by the German Federal Ministry for Economic Cooperation and Development (BMZ), the German Federal Ministry for Economic Affairs and Energy (BMWi), the Government...