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Sample records for condensed phase thermochemical

  1. Third millenium ideal gas and condensed phase thermochemical database for combustion (with update from active thermochemical tables).

    Energy Technology Data Exchange (ETDEWEB)

    Burcat, A.; Ruscic, B.; Chemistry; Technion - Israel Inst. of Tech.

    2005-07-29

    The thermochemical database of species involved in combustion processes is and has been available for free use for over 25 years. It was first published in print in 1984, approximately 8 years after it was first assembled, and contained 215 species at the time. This is the 7th printed edition and most likely will be the last one in print in the present format, which involves substantial manual labor. The database currently contains more than 1300 species, specifically organic molecules and radicals, but also inorganic species connected to combustion and air pollution. Since 1991 this database is freely available on the internet, at the Technion-IIT ftp server, and it is continuously expanded and corrected. The database is mirrored daily at an official mirror site, and at random at about a dozen unofficial mirror and 'finger' sites. The present edition contains numerous corrections and many recalculations of data of provisory type by the G3//B3LYP method, a high-accuracy composite ab initio calculation. About 300 species are newly calculated and are not yet published elsewhere. In anticipation of the full coupling, which is under development, the database started incorporating the available (as yet unpublished) values from Active Thermochemical Tables. The electronic version now also contains an XML file of the main database to allow transfer to other formats and ease finding specific information of interest. The database is used by scientists, educators, engineers and students at all levels, dealing primarily with combustion and air pollution, jet engines, rocket propulsion, fireworks, but also by researchers involved in upper atmosphere kinetics, astrophysics, abrasion metallurgy, etc. This introductory article contains explanations of the database and the means to use it, its sources, ways of calculation, and assessments of the accuracy of data.

  2. Scrutinizing the pion condensed phase

    Energy Technology Data Exchange (ETDEWEB)

    Carignano, Stefano; Mammarella, Andrea; Mannarelli, Massimo [INFN, Laboratori Nazionali del Gran Sasso, Assergi (Italy); Lepori, Luca [Universita di Padova, Dipartimento di Fisica e Astronomia, Padova (Italy); Universita dell' Aquila, Dipartimento di Scienze Fisiche e Chimiche, Coppito-L' Aquila (Italy); Pagliaroli, Giulia [INFN, Laboratori Nazionali del Gran Sasso, Assergi (Italy); Gran Sasso Science Institute, L' Aquila (Italy)

    2017-02-15

    When the isospin chemical potential exceeds the pion mass, charged pions condense in the zero-momentum state forming a superfluid. Chiral perturbation theory provides a very powerful tool for studying this phase. However, the formalism that is usually employed in this context does not clarify various aspects of the condensation mechanism and makes the identification of the soft modes problematic. We re-examine the pion condensed phase using different approaches within the chiral perturbation theory framework. As a first step, we perform a low-density expansion of the chiral Lagrangian valid close to the onset of the Bose-Einstein condensation. We obtain an effective theory that can be mapped to a Gross-Pitaevskii Lagrangian in which, remarkably, all the coefficients depend on the isospin chemical potential. The low-density expansion becomes unreliable deep in the pion condensed phase. For this reason, we develop an alternative field expansion deriving a low-energy Lagrangian analog to that of quantum magnets. By integrating out the ''radial'' fluctuations we obtain a soft Lagrangian in terms of the Nambu-Goldstone bosons arising from the breaking of the pion number symmetry. Finally, we test the robustness of the second-order transition between the normal and the pion condensed phase when next-to-leading-order chiral corrections are included. We determine the range of parameters for turning the second-order phase transition into a first-order one, finding that the currently accepted values of these corrections are unlikely to change the order of the phase transition. (orig.)

  3. Interaction of stress and phase transformations during thermochemical surface engineering

    DEFF Research Database (Denmark)

    Jespersen, Freja Nygaard

    dissolution. The present project is devoted to understanding the mutual interaction of stresses and phase transformations during thermochemical surface engineering by combining numerical modelling with experimental materials science. The modelling was done by combining solid mechanics with thermodynamics...... by chromium atoms, and the effect of composition-induced stress on surface concentration and diffusive flux. The effect of plasticity was also included. Temperature and concentration dependencies of mechanical and diffusion material properties were studied, and the effect of incorporation in the model...... examined. The effect of pre-stressing the sample was also tested, to investigate the effects of a residual stress-state that might be present from processing of the metal specimen. Controlled thermochemical treatment of austenitic stainless steel was investigated experimentally by in-diffusion of nitrogen...

  4. Some concepts in condensed phase chemical kinetics

    International Nuclear Information System (INIS)

    Adelman, S.A.

    1986-01-01

    Some concepts in condensed phase chemical kinetics which have emerged from a recent rigorous statistical mechanical treatment of condensed phase chemical reaction dynamics (S.A. Adelman, Adv. Chem. Phys.53:61 (1983)) are discussed in simple physical terms

  5. Interconversion of pollutants from the gaseous to the condensed phase. Technical progress report - brief summary of recent findings, March 1, 1983-August 31, 1983

    International Nuclear Information System (INIS)

    1983-01-01

    Purpose of the studies were to provide new information on the interconversion of pollutants from the gaseous to the condensed phase. More information were obtained on mechanisms of cluster formation, leading to the production of prenucleation embryos, rates of phase transformation, and the thermochemical properties and photochemical stability of the species involved. Systems studied included nitric acid, ammonia, sulfuric acid, carbonic acid, etc

  6. Condensation in a two-phase pool

    International Nuclear Information System (INIS)

    Duffey, R.B.; Hughes, E.D.

    1991-01-01

    We consider the case of vapor condensation in a liquid pool, when the heat transfer is controlled by heat losses through the walls. The analysis is based on drift flux theory for phase separation in the pool, and determines the two-phase mixture height for the pool. To our knowledge this is the first analytical treatment of this classic problem that gives an explicit result, previous work having established the result for the evaporative case. From conservation of mass and energy in a one-dimensional steady flow, together with a void relation between the liquid and vapor fluxes, we determine the increase in the mixture level from the base level of the pool. It can be seen that the thermal and hydrodynamic influences are separable. Thus, the thermal influence of the wall heat transfer appears through its effect on the condensing length L*, so that at high condensation rates the pool is all liquid, and at low rates overflows (the level swell or foaming effect). Similarly, the phase separation effect hydrodynamically determines the height via the relative velocity of the mixture to the entering flux. We examine some practical applications of this result to level swell in condensing flows, and also examine some limits in ideal cases

  7. Condensed phase decomposition and gas phase combustion of hydrazinium nitroformate

    NARCIS (Netherlands)

    Dragomir, O.E.; Tummers, M.J.; Veen, E.H. van; Heijden, A.E.D.M. van der; Roekaerts, D.J.E.M.

    2009-01-01

    This paper presents the results of a series of experiments on the condensed phase decomposition and the gas phase combustion of hydrazinium nitroformate (HNF). The experiments include SEM analysis of quenched samples that showed evidence of the formation of a foam layer. FTIR spectrometry and mass

  8. Essential Magnesium Alloys Binary Phase Diagrams and Their Thermochemical Data

    Directory of Open Access Journals (Sweden)

    Mohammad Mezbahul-Islam

    2014-01-01

    Full Text Available Magnesium-based alloys are becoming a major industrial material for structural applications because of their potential weight saving characteristics. All the commercial Mg alloys like AZ, AM, AE, EZ, ZK, and so forth series are multicomponent and hence it is important to understand the phase relations of the alloying elements with Mg. In this work, eleven essential Mg-based binary systems including Mg-Al/Zn/Mn/Ca/Sr/Y/Ni/Ce/Nd/Cu/Sn have been reviewed. Each of these systems has been discussed critically on the aspects of phase diagram and thermodynamic properties. All the available experimental data has been summarized and critically assessed to provide detailed understanding of the systems. The phase diagrams are calculated based on the most up-to-date optimized parameters. The thermodynamic model parameters for all the systems except Mg-Nd have been summarized in tables. The crystallographic information of the intermetallic compounds of different binary systems is provided. Also, the heat of formation of the intermetallic compounds obtained from experimental, first principle calculations and CALPHAD optimizations are provided. In addition, reoptimization of the Mg-Y system has been done in this work since new experimental data showed wider solubility of the intermetallic compounds.

  9. Quantum chemical approach for condensed-phase thermochemistry: proposal of a harmonic solvation model.

    Science.gov (United States)

    Nakai, Hiromi; Ishikawa, Atsushi

    2014-11-07

    We propose a novel quantum chemical method, called the harmonic solvation model (HSM), for calculating thermochemical parameters in the condensed phase, particularly in the liquid phase. The HSM represents translational and rotational motions of a solute as vibrations interacting with a cavity wall of solvent molecules. As examples, the HSM and the ideal-gas model (IGM) were used for the standard formation reaction of liquid water, combustion reactions of liquid formic acid, methanol, and ethanol, vapor-liquid equilibration of water and ethanol, and dissolution of gaseous CO2 in water. The numerical results confirmed the reliability and applicability of the HSM. In particular, the temperature dependence of the Gibbs energy of liquid molecules was accurately reproduced by the HSM; for example, the boiling point of water was reasonably determined using the HSM, whereas the conventional IGM treatment failed to obtain a crossing of the two Gibbs energy curves for gaseous and liquid water.

  10. Nautilus Centripetal Capillary Condenser, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — A Nautilus Centripetal Capillary Condenser (NCCC) is proposed for the microgravity compatible removal of water from a saturated air stream. Successful development of...

  11. Systems for storage and retrieval of thermochemical data and calculation of phase diagrams

    International Nuclear Information System (INIS)

    Kaufman, L.; Nesor, H.

    1976-01-01

    The systems developed by National Physical Laboratory and ManLabs have been coupled to provide a Metallurgical Thermochemical Data Bank for storage and retrieval of data and calculation of binary and ternary phase diagrams. Approximately two thousand sets for pure elements and compounds are stored providing thermodynamic functions and differences for specific reactions in numerical form. Vapor pressure data for gaseous products and solubility data for gases in metals and dilute alloys covering the Henrian range can be retrieved. Similar data for dilute solutions of metals in pure metals and binary alloys is also accessible. The system can also be used to compute all of the forty-five binary systems composed of the metals iron, chromium, nickel, cobalt, aluminum, niobium, molybdenum, titanium, carbon, and tungsten. This facility is available through explicit descriptions of solution and compound phases generated in terms of lattice stability, solution and compound phase parameter which are employed to calculate the phase diagrams and thermochemical properties of the binary systems. The system can be used for calculation of the one hundred twenty possible ternary systems composed of these metals over a wide range of temperature. The system operates on data supplied by the user so that other inorganic, ceramic, and metallic combinations can be considered. The ManLabs-NPL MATERIALS DATABANK is accessible via TSO (time sharing option) through standard teletype terminals which can be connected into the main computer by telephone anywhere in the U. S. and Canada. Users can employ almost any commercial terminal to gain access to the system and interact with the DATABANK

  12. Ultrafast Dynamics of Chemical Reactions in Condensed Phase ...

    Indian Academy of Sciences (India)

    Ultrafast Dynamics of Chemical Reactions in Condensed Phase: Intramolecular Energy Transfer, Charge Transfer & Hydrogen Bond. Dipak K. Palit Radaition & Photochemistry Division Bhabha Atomic Research Centre Mumbai 400 085, India.

  13. Entanglement phases as holographic duals of anyon condensates

    Science.gov (United States)

    Duivenvoorden, Kasper; Iqbal, Mohsin; Haegeman, Jutho; Verstraete, Frank; Schuch, Norbert

    2017-06-01

    Anyon condensation forms a mechanism that allows us to relate different topological phases. We study anyon condensation in the framework of projected entangled pair states (PEPS) where topological order is characterized through local symmetries of the entanglement. We show that anyon condensation is in one-to-one correspondence to the behavior of the virtual entanglement state at the boundary (i.e., the entanglement spectrum) under those symmetries, which encompasses both symmetry breaking and symmetry protected (SPT) order, and we use this to characterize all anyon condensations for Abelian double models through the structure of their entanglement spectrum. We illustrate our findings with the Z4 double model, which can give rise to both toric code and doubled semion order through condensation, distinguished by the SPT structure of their entanglement. Using the ability of our framework to directly measure order parameters for condensation and deconfinement, we numerically study the phase diagram of the model, including direct phase transitions between the doubled semion and the toric code phase, which are not described by anyon condensation.

  14. Thermochemical measurements and assessment of the phase diagrams in the system Y-Ba-Cu-O

    International Nuclear Information System (INIS)

    Boudene, A.; Mohammad, A.

    1996-01-01

    The aim of this project was to provide a self-consistent set of Gibbs energy data for all phases in the system Y-Ba-Cu-O. Experimental thermochemical investigations by differential thermal analysis (DTA), thermogravimetry (TG), electromotive force measurements (EMF), oxygen coulometric titration (OCT), drop and solution calorimetry, and conventional phase analysis (annealing, quenching, and X-ray diffraction [XRD]) as well as ab initio calculations of interaction energies for the 123 phase have been carried out. The experimental information (phase equilibria, heat capacity, enthalpies of formation, oxygen partial pressures, and so forth) has been used in computer-based assessments of the Gibbs energies. These data have been employed to generate phase diagrams by way of equilibrium computations. All binary and ternary subsystems have been fully assessed. For the quaternary system a dataset covering the subsolidus range has been derived. Applications of the data to practical questions, such as the production of 123 superconductors by an MOCVD process, the producibility of metallic precursors, and the oxidation of a copper-enriched stoichiometric oxide precursor, are demonstrated

  15. Microstructure and phase morphology during thermochemical processing of {alpha}{sub 2}-based titanium aluminide castings

    Energy Technology Data Exchange (ETDEWEB)

    Saqib, M. [Wright State Univ., Dayton, OH (United States). Dept. of Mechanical and Materials Engineering; Apgar, L.S. [Dayton Univ., OH (United States). Graduate Materials Engineering; Eylon, D. [Dayton Univ., OH (United States). Graduate Materials Engineering; Weiss, I. [Wright State Univ., Dayton, OH (United States). Dept. of Mechanical and Materials Engineering

    1995-12-31

    Changes in the microstructure, volume fraction and distribution of phases during different stages of thermochemical processing of Ti-25Al-10Nb-3V-1Mo (at.%) castings were investigated. Up to 14.5 at.% (0.35 wt.%) of hydrogen was introduced into the material by gas charging at temperatures between 650 and 980 C for times up to 20 h. The material was subsequently dehydrogenated by vacuum annealing at 650 C for 48 h. Investment cast Ti-25Al-10Nb-3V-1Mo alloy, hot isostatically pressed (HIP) at 1175 C at 260 MPa for 6 h, was used as the starting material. The microstructure of the as-HIP material consists of {alpha}{sub 2}, B2 and orthorhombic phases. The {alpha}{sub 2} phase exists in equiaxed, Widmanstaeten and cellular morphologies. The B2 phase is observed mainly along {alpha}{sub 2}/{alpha}{sub 2} boundaries. Some {alpha}{sub 2} Widmanstaeten also contain very fine orthorhombic phase in a plate-like morphology. Hydrogenation of the material modified the microstructure; however, the morphology of the {alpha}{sub 2} and B2 phases did not change. Furthermore, hydride precipitation and a higher volume fraction of the orthorhombic phase were observed compared with the as-HIP material. Following dehydrogenation, the hydrogen level in the material was found to be less than 0.1 at.% (0.0025wt.%). Transmission electron microscopy of the dehydrogenated material did not reveal the presence of hydride precipitates; however, the high volume fraction of the orthorhombic phase was found to persist following dehydrogenation. (orig.)

  16. Condensation shocks in high momentum two-phase flows in condensing injectors

    International Nuclear Information System (INIS)

    Anand, G.; Christensen, R.N.

    1993-01-01

    This study presents a phenomenological and mathematical model of condensation shocks in high momentum two-phase flows in condensing injectors. The characteristics of the shock were related to the mode of vapor bubble collapse. Using cavitation terminology, the bubble collapse can be classified as inertially controlled or thermally controlled. Inertial bubble collapse occurs rapidly whereas, a thermally controlled collapse results in a significantly longer collapse time. The interdependence between the bubble collapse mode and the momentum and pressure of the flow, was analyzed in this study. For low-temperature-high-velocity flows a steep pressure rise with complete condensation was obtained. For a high-temperature-low velocity flow with noncondensables, low pressure recovery with incomplete condensation was observed. These trends are in agreement with previous experimental observations

  17. Evaporation and Condensation Flows of a Vapor-Gas Mixture from or onto the Condensed Phase with an Internal Structure

    National Research Council Canada - National Science Library

    Onishi, Yoshimoto; Yamada, Ken

    2005-01-01

    Transient motions of a vapor-gas mixture due to the evaporation and condensation processes from or onto the plane condensed phase, with a temperature field as its internal structure, have been studied...

  18. Condensed phase preparation of 2,3-pentanedione

    Science.gov (United States)

    Miller, D.J.; Perry, S.M.; Fanson, P.T.; Jackson, J.E.

    1998-11-03

    A condensed phase process for the preparation of purified 2,3-pentanedione from lactic acid and an alkali metal lactate is described. The process uses elevated temperatures between about 200 to 360 C for heating a reaction mixture of lactic acid and an alkali metal lactate to produce the 2,3-pentanedione in a reaction vessel. The 2,3-pentanedione produced is vaporized from the reaction vessel and condensed with water. 5 figs.

  19. Condensers

    International Nuclear Information System (INIS)

    Andrieux, M.B.

    1984-01-01

    Characteristics of the condenser cooling waters of various French 900 MW nuclear power plants. Design and description of various types of condensers: condensers feeded directly with river water, condensers feeded by cooling towers, condensers feeded with sea water of brackish water. Presentation of the main problems encountered with the brass bundles (ammoniacal corrosion, erosion of the peripheral tubes, vibrations of the tubes), with the titanium bundles, with the tubular plates, the tubes-tubular plates assemblies, the coatings of the condenser water chamber (sea water), the vapor by-pass and with the air inlet. Analysis of the in service performances such as condensation pressure, oxygen content and availability [fr

  20. Quantum nucleation of phase slips in Bose-Einstein condensates

    International Nuclear Information System (INIS)

    Buechler, H.P.; Blatter, G.; Geschkenbein, V.B.; Rossijskaya Akademiya Nauk, Moscow

    2001-01-01

    We present a theoretical study of quantum fluctuations in a Bose-Einstein condensate confined within a thin cylindrical trap and perturbed by a moving impurity. We derive an effective action which maps the problem to that of a massive particle with damping in a periodic potential. Quantum fluctuations lead to a finite nucleation rate of phase slips and we make use of known results in our determination of the transport characteristic. Real Bose-Einstein condensate are finite systems and exhibit interesting effects depending on topology: in superfluid rings we obtain a critical velocity below which the nucleation rate is quenched. In a cigar shaped condensate the low-energy action is equivalent to that of a capacitively shunted Josephson junction. The state with a well defined phase difference across the impurity then is unstable towards a decoupled state with a fixed number of particles on either side of the impurity. (orig.)

  1. Summer Research Institute Interfacial and Condensed Phase Chemical Physics

    Energy Technology Data Exchange (ETDEWEB)

    Barlow, Stephan E.

    2004-10-01

    Pacific Northwest National Laboratory (PNNL) hosted its first annual Summer Research Institute in Interfacial and Condensed Phase Chemical Physics from May through September 2004. During this period, fourteen PNNL scientists hosted sixteen young scientists from eleven different universities. Of the sixteen participants, fourteen were graduate students; one was transitioning to graduate school; and one was a university faculty member.

  2. The thermochemical, two-phase dynamics of subduction zones: results from new, fully coupled models

    Science.gov (United States)

    Rees Jones, D. W.; Katz, R. F.; May, D.; Tian, M.; Rudge, J. F.

    2017-12-01

    Subduction zones are responsible for most of Earth's subaerial volcanism. However, previous geodynamic modelling of subduction zones has largely neglected magmatism. We previously showed that magmatism has a significant thermal impact, by advecting sensible heat into the lithosphere beneath arc volcanos [1]. Inclusion of this effect helps reconcile subduction zone models with petrological and heat flow observations. Many important questions remain, including how magma-mantle dynamics of subduction zones affects the position of arc volcanos and the character of their lavas. In this presentation, we employ a fully coupled, thermochemical, two-phase flow theory to investigate the dynamics of subduction zones. We present the first results from our new software (SubFUSc), which solves the coupled equations governing conservation of mass, momentum, energy and chemical species. The presence and migration of partial melts affect permeability and mantle viscosity (both directly and through their thermal impact); these, in turn, feed back on the magma-mantle flow. Thus our fully coupled modelling improves upon previous two-phase models that decoupled the governing equations and fixed the thermal structure [2]. To capture phase change, we use a novel, simplified model of the mantle melting in the presence of volatile species. As in the natural system, volatiles are associated with low-degree melting at temperatures beneath the anhydrous solidus; dehydration reactions in the slab supply volatiles into the wedge, triggering silicic melting. We simulate the migration of melts under buoyancy forces and dynamic pressure gradients. We thereby demonstrate the dynamical controls on the pattern of subduction-zone volcanism (particularly its location, magnitude, and chemical composition). We build on our previous study of the thermal consequences of magma genesis and segregation. We address the question of what controls the location of arc volcanoes themselves [3]. [1] Rees Jones, D. W

  3. Ultrafast Dynamics of Chemical Reactions in Condensed Phase ...

    Indian Academy of Sciences (India)

    Ultrafast Dynamics of Chemical Reactions in Condensed Phase: Intramolecular Energy Transfer, Charge Transfer & Hydrogen Bond · PowerPoint Presentation · Slide 3 · Slide 4 · Slide 5 · Slide 6 · Slide 7 · Slide 8 · Slide 9 · Slide 10 · Slide 11 · Slide 12 · Slide 13 · Slide 14 · Slide 15 · Slide 16 · Slide 17 · Slide 18 · Slide 19.

  4. Solid-phase synthesis of piperazinones via disrupted Ugi condensation.

    Science.gov (United States)

    Treder, Adam P; Tremblay, Marie-Claude; Yudin, Andrei K; Marsault, Eric

    2014-09-05

    The first application of aziridine aldehyde dimers in solid-phase synthesis is reported. The solid-supported disrupted Ugi condensation between an aziridine aldehyde dimer, isonitrile, and backbone-anchored amino acids delivered N-acyl aziridine intermediates, which were reacted with nucleophiles to yield the corresponding piperazinones. Subsequent cleavage from the resin provided a diverse set of 2,3,6-trisubstituted piperazinones starting from various amino acids, aziridine aldehydes, and nucleophiles.

  5. Condensation phase diagrams for lipid-coated perfluorobutane microbubbles.

    Science.gov (United States)

    Mountford, Paul A; Sirsi, Shashank R; Borden, Mark A

    2014-06-03

    The goal of this study was to explore the thermodynamic conditions necessary to condense aqueous suspensions of lipid-coated gas-filled microbubbles into metastable liquid-filled nanodrops as well as the physicochemical mechanisms involved with this process. Individual perfluorobutane microbubbles and their lipid shells were observed as they were pressurized at 34.5 kPa s(-1) in a microscopic viewing chamber maintained at temperatures ranging from 5 to 75 °C. The microbubbles contracted under pressure, ultimately leading to either full dissolution or microbubble-to-nanodrop condensation. Temperature-pressure phase diagrams conveying condensation and stability transitions were constructed for microbubbles coated with saturated diacylphosphatidylcholine lipids of varying acyl chain length (C16 to C24). The onset of full dissolution was shifted to higher temperatures with the use of longer acyl chain lipids or supersaturated media. Longer chain lipid shells resisted both dissolution of the gas core and mechanical compression through a pronounced wrinkle-to-fold collapse transition. Interestingly, the lipid shell also provided a mechanical resistance to condensation, shifting the vapor-to-liquid transition to higher pressures than for bulk perfluorobutane. This result indicated that the lipid shell can provide a negative apparent surface tension under compression. Overall, the results of this study will aid in the design and formulation of vaporizable fluorocarbon nanodrops for various applications, such as diagnostic ultrasound imaging, targeted drug delivery, and thermal ablation.

  6. Synthesis of condensed phases containing polycyclic aromatic hydrocarbons fullerenes and nanotubes

    Science.gov (United States)

    Reilly, Peter T. A.

    2004-10-19

    The invention relates to methods for producing polycyclic aromatic hydrocarbons, fullerenes, and nanotubes, comprising: a. heating at least one carbon-containing material to form a condensed phase comprising at least one polycyclic aromatic hydrocarbon; b. collecting at least some of the condensed phase; c. reacting the condensed phase to form fullerenes and/or nanotubes.

  7. New developments of the CARTE thermochemical code: A two-phase equation of state for nanocarbons

    Science.gov (United States)

    Dubois, Vincent; Pineau, Nicolas

    2016-01-01

    We developed a new equation of state (EOS) for nanocarbons in the thermodynamic range of high explosives detonation products (up to 50 GPa and 4000 K). This EOS was fitted to an extensive database of thermodynamic properties computed by molecular dynamics simulations of nanodiamonds and nano-onions with the LCBOPII potential. We reproduced the detonation properties of a variety of high explosives with the CARTE thermochemical code, including carbon-poor and carbon-rich explosives, with excellent accuracy.

  8. Thermochemical transformations of anthracite fractions

    Energy Technology Data Exchange (ETDEWEB)

    Belkina, T.V.; Privalov, V.E.; Stepanenko, atM.A.

    1979-08-01

    Research on the nature of thermochemical transformations of anthracite fractions and the possibility of increasing their activity and identifying conditions for their use in the electrode pitch process is described. From research done on different anthracite fractions processed at varying temperatures it was concluded that accumulations of condensates from heating anthracite fractions occur significantly slower in comparison with pitch. As a result the electrode pitch process is prolonged. Thermal treatment of an anthracite fraction causes the formation and accumulation of condensates and promotes thermochemical transformations. Lastly, the use of thermally treated anthracite fractions apparently intensifies the electrode pitch process and improves its quality. (16 refs.) (In Russian)

  9. Efficient, Long-Life Biocidal Condenser, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — Environmental control systems for manned lunar and planetary bases will require condensing heat exchangers to control humidity. Condensing surfaces must be...

  10. Modeling non-adiabatic photoexcited reaction dynamics in condensed phases

    International Nuclear Information System (INIS)

    Coker, D.F.

    2003-01-01

    Reactions of photoexcited molecules, ions, and radicals in condensed phase environments involve non-adiabatic dynamics over coupled electronic surfaces. We focus on how local environmental symmetries can effect non-adiabatic coupling between excited electronic states and thus influence, in a possibly controllable way, the outcome of photo-excited reactions. Semi-classical and mixed quantum-classical non-adiabatic molecular dynamics methods, together with semi-empirical excited state potentials are used to probe the dynamical mixing of electronic states in different environments from molecular clusters, to simple liquids and solids, and photo-excited reactions in complex reaction environments such as zeolites

  11. New developments of the CARTE thermochemical code: A two-phase equation of state for nanocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Dubois, Vincent, E-mail: vincent-jp.dubois@cea.fr; Pineau, Nicolas [CEA, DAM, DIF, F-91297 Arpajon (France)

    2016-01-07

    We developed a new equation of state (EOS) for nanocarbons in the thermodynamic range of high explosives detonation products (up to 50 GPa and 4000 K). This EOS was fitted to an extensive database of thermodynamic properties computed by molecular dynamics simulations of nanodiamonds and nano-onions with the LCBOPII potential. We reproduced the detonation properties of a variety of high explosives with the CARTE thermochemical code, including carbon-poor and carbon-rich explosives, with excellent accuracy.

  12. The Condensation effect on the two-phase flow stability

    International Nuclear Information System (INIS)

    Abdou Mohamed, Hesham Nagah

    2005-01-01

    A one-dimensional analytical model has been developed to be used for the linear analysis of density-wave oscillations in a parallel heated channel and a natural circulation loop.The heater and the riser sections are divided into a single-phase and a two-phase region.The two-phase region is represented by the drift-flux model. The model accounts for aphasic slip and subcooled boiling.The localized friction at the heater and the riser exit is treated considering the two-phase mixture.Also the effects of the condensation in the riser and the change in the system pressure have been studied.The exact equation for the heated channel and the total loop pressure drop is perturbed around the steady state.he stability characteristics of the heated channel and the loop are investigated using the Root finding method criterion.The results are summarized on instability maps in the plane of subcooled boiling number vs. phase change number (i.e., inlet subcooling vs. heater heat flux).The predictions of the model are compared with experimental results published in open literature. The results show that, the treatment effect of localized friction in two-phase mixtures stabilizes the system and improves the agreement of the calculations with the experimental results.For a parallel heated channel, the results indicate a more stable system with high inlet restriction, low outlet restriction, and high inlet velocity. And for a natural circulation loop, an increase in the inlet restriction broadened the range of the continuous circulation mode and stabilized the system, a decrease in the exit restriction or the liquid charging level shifted to the right the range of the continuous circulation mode and stabilized the system and an increase in the riser condensation shifted to the right the range of the continuous circulation mode and stabilized the system.The results show that the model agrees well with the available experimental data. In particular, the results show the significance of

  13. Dual-phase reactor plant with partitioned isolation condenser

    Science.gov (United States)

    Hui, Marvin M.

    1992-01-01

    A nuclear energy plant housing a boiling-water reactor utilizes an isolation condenser in which a single chamber is partitioned into a distributor plenum and a collector plenum. Steam accumulates in the distributor plenum and is conveyed to the collector plenum through an annular manifold that includes tubes extending through a condenser pool. The tubes provide for a transfer of heat from the steam, forming a condensate. The chamber has a disk-shaped base, a cylindrical sidewall, and a semispherical top. This geometry results in a compact design that exhibits significant performance and cost advantages over prior designs.

  14. Thermochemical and phase diagram studies of the Sn–Zn–Ni system

    Czech Academy of Sciences Publication Activity Database

    Gandova, V.D.; Brož, P.; Buršík, Jiří; Vassilev, G.P.

    2011-01-01

    Roč. 524, 1-2 (2011), s. 47-55 ISSN 0040-6031 Institutional research plan: CEZ:AV0Z20410507 Keywords : DSC * solders * Sn-Zn-Ni phase diagram Subject RIV: BJ - Thermodynamics Impact factor: 1.805, year: 2011

  15. Thermochemical and phase diagram studies of the Sn-Zn-Ni system

    International Nuclear Information System (INIS)

    Gandova, V.D.; Broz, P.; Bursik, J.; Vassilev, G.P.

    2011-01-01

    Highlights: → Sn-Zn-Ni phase diagram in the vicinity of the Sn-Zn system. → Unidentified compositions (UX1-UX4) are repeatedly observed. → This indicates up to 6 ternary compounds in the system. → A ternary eutectic reaction at around 190 o C is found. - Abstract: The phase diagram Sn-Zn-Ni was studied by means of DSC and electron microprobe analysis. The samples were positioned in three isopleth sections with nickel contents of 0.04 (section 1), 0.08 (section 2) and 0.12 (section 3) mole fractions. The mole fractions of Sn corresponding to the particular sections were as follows: from 0.230 to 0.768 (section 1), from 0.230 to 0.736 (section 2); from 0.220 to 0.704 (section 3). Mixtures of pure metals were sealed under vacuum in quartz ampoules and annealed at 350 o C. The solid phases identified in the samples were: γ-(i.e. Ni 5 Zn 21 ), (Zn) and the ternary phase T1. Unidentified compositions were observed. One of them: UX1 (X Ni = 0.071 ± 0.005, X Sn = 0.439 ± 0.009 and X Zn = 0.490 ± 0.010) might indicate another (stable or metastable) ternary compound (T3) in the system Sn-Zn-Ni. Considering the data obtained by combining DSC with microstructure observations, the studied alloys could be divided in two groups (A and B). A ternary eutectic reaction at around 190 o C is common for the A-group alloys. The phases taking part in this reaction are, probably, Ni 5 Zn 21 , (Zn), (βSn) and liquid. B-group samples do not show ternary eutectic reaction and are also characterized by the presence of the ternary compound T1 (absent in the A-group alloys). Four other groups of thermal arrests were registered (TA 1 -TA 4 ). It was found that TA 2 peaks were characteristic for most of the A-group samples, while TA 1 peaks were registered with all B-group samples.

  16. Disorder Induced Dynamic Equilibrium Localization and Random Phase Steps of Bose—Einstein Condensates

    International Nuclear Information System (INIS)

    Duan Ya-Fan; Xu Zhen; Qian Jun; Sun Jian-Fang; Jiang Bo-Nan; Hong Tao

    2011-01-01

    We numerically analyze the dynamic behavior of Bose—Einstein condensate (BEC) in a one-dimensional disordered potential before it completely loses spatial quantum coherence. We find that both the disorder statistics and the atom interactions produce remarkable effects on localization. We also find that the single phase of the initial condensate is broken into many small pieces while the system approaches localization, showing a counter-intuitive step-wise phase but not a thoroughly randomized phase. Although the condensates as a whole show less flow and expansion, the currents between adjacent phase steps retain strong time dependence. Thus we show explicitly that the localization of a finite size Bose—Einstein condensate is a dynamic equilibrium state. (general)

  17. CHEETAH: A next generation thermochemical code

    Energy Technology Data Exchange (ETDEWEB)

    Fried, L.; Souers, P.

    1994-11-01

    CHEETAH is an effort to bring the TIGER thermochemical code into the 1990s. A wide variety of improvements have been made in Version 1.0. We have improved the robustness and ease of use of TIGER. All of TIGER`s solvers have been replaced by new algorithms. We find that CHEETAH solves a wider variety of problems with no user intervention (e.g. no guesses for the C-J state) than TIGER did. CHEETAH has been made simpler to use than TIGER; typical use of the code occurs with the new standard run command. CHEETAH will make the use of thermochemical codes more attractive to practical explosive formulators. We have also made an extensive effort to improve over the results of TIGER. CHEETAH`s version of the BKW equation of state (BKWC) is able to accurately reproduce energies from cylinder tests; something that other BKW parameter sets have been unable to do. Calculations performed with BKWC execute very quickly; typical run times are under 10 seconds on a workstation. In the future we plan to improve the underlying science in CHEETAH. More accurate equations of state will be used in the gas and the condensed phase. A kinetics capability will be added to the code that will predict reaction zone thickness. Further ease of use features will eventually be added; an automatic formulator that adjusts concentrations to match desired properties is planned.

  18. Recommendations for the presentation of infrared absorption spectra in data collections condensed phases

    CERN Document Server

    Becker, E D

    2013-01-01

    Recommendations for the Presentation of Infrared Absorption Spectra in Data Collections-A. Condensed Phases presents the recommendations related to the infrared spectra of condensed phase materials that are proposed for permanent retention in data collections. These recommendations are based on two reports published by the Coblentz Society. This book emphasizes the three levels of quality evaluation for infrared spectra as designated by the Coblentz Society, including critically defined physical data, research quality analytical spectra, and approved analytical spectra. This text discusses the

  19. Development of ammoniated salts. Thermochemical energy storage systems: Phase IB. Final report, February--September 1977

    Energy Technology Data Exchange (ETDEWEB)

    Jaeger, F. A.; Howerton, M. T.; Podlaseck, S. E.; Myers, J. E.; Beshore, D. G.; Haas, W. R.

    1978-05-01

    Thermal energy is usually stored in energy storage systems as sensible heat at temperatures well above the ambient temperature. Most energy storage systems of this type suffer from two drawbacks: (1) the thermal losses to the surroundings are large, and (2) the energy is only available for recovery at the bulk temperature of the storage material; therefore, the stored energy can only be partially recovered. If the energy could be stored at near ambient temperature and recovered at the desired use temperature, thermal losses can be minimized and a high degree of efficiency can be maintained. The purpose of the program is to develop an energy storage system that accepts thermal energy at high temperatures, stores that energy at ambient temperature, and recovers the energy at the original high temperature. The energy is stored as chemical energy. The concept consists of storage and subsequent extraction of the heat of reaction from a pair of ammoniated salts near equilibrium conditions. By shifting the equilibrium in the forward or reverse direction, the heat of reaction can be stored or recovered. The system can be used for many different applications (i.e., different temperature levels) by selecting the appropriate salt pair for the high and low temperature reactions. In this phase of the program, the technical feasibility of the concept was demonstrated using several ammoniated salt pairs.

  20. Chimie douce synthesis and thermochemical characterization of mesoporous perovskite-type titanate phases

    International Nuclear Information System (INIS)

    Bocher, Laura; Aguirre, Myriam H.; Robert, Rosa; Trottmann, Matthias; Logvinovich, Dmitry; Hug, Paul; Weidenkaff, Anke

    2007-01-01

    Various compositions of perovskite-type titanates were synthesised by a chimie douce synthesis method with emphasis on low synthesis temperatures. The cations were complexed by citric acid as chelating agent forming a homogeneous organic/inorganic network. The thermal decomposition of this xerogel precursor was investigated by thermogravimetric analysis (TGA). Simultaneous thermal analysis with mass spectrometry (MS) in combination with infrared spectroscopy (IR) allowed studying the precursor decomposition mechanism. The perovskite phase formation was investigated by X-ray diffraction (XRD) and transmission electron microscopy (TEM). The citrate precursor was decomposed by two different preparation methods to evaluate the influence on the morphology and size of perovskite-type particles. The perovskite-type titanates obtained by thermal decomposition of precursors revealed well-defined mesoporous morphology. Ultrafine perovskite-type particles were also synthesized inside micro-droplets in an aerosol process using ultrasonic spray combustion (USC). This alternative preparation enhanced the specific surface area particles by a factor 3 reaching 50-60 m 2 /g

  1. Refrigerant pressurization system with a two-phase condensing ejector

    Science.gov (United States)

    Bergander, Mark [Madison, CT

    2009-07-14

    A refrigerant pressurization system including an ejector having a first conduit for flowing a liquid refrigerant therethrough and a nozzle for accelerating a vapor refrigerant therethrough. The first conduit is positioned such that the liquid refrigerant is discharged from the first conduit into the nozzle. The ejector includes a mixing chamber for condensing the vapor refrigerant. The mixing chamber comprises at least a portion of the nozzle and transitions into a second conduit having a substantially constant cross sectional area. The condensation of the vapor refrigerant in the mixing chamber causes the refrigerant mixture in at least a portion of the mixing chamber to be at a pressure greater than that of the refrigerant entering the nozzle and greater than that entering the first conduit.

  2. SOLGASMIX-PV, Chemical System Equilibrium of Gaseous and Condensed Phase Mixtures

    International Nuclear Information System (INIS)

    Besmann, T.M.

    1986-01-01

    1 - Description of program or function: SOLGASMIX-PV, which is based on the earlier SOLGAS and SOLGASMIX codes, calculates equilibrium relationships in complex chemical systems. Chemical equilibrium calculations involve finding the system composition, within certain constraints, which contains the minimum free energy. The constraints are the preservation of the masses of each element present and either constant pressure or volume. SOLGASMIX-PV can calculate equilibria in systems containing a gaseous phase, condensed phase solutions, and condensed phases of invariant and variable stoichiometry. Either a constant total gas volume or a constant total pressure can be assumed. Unit activities for condensed phases and ideality for solutions are assumed, although nonideal systems can be handled provided activity coefficient relationships are available. 2 - Restrictions on the complexity of the problem: The program is designed to handle a maximum of 20 elements, 99 substances, and 10 mixtures, where the gas phase is considered a mixture. Each substance is either a gas or condensed phase species, or a member of a condensed phase mixture

  3. Wetting phase transition of two segregated Bose–Einstein condensates restricted by a hard wall

    Energy Technology Data Exchange (ETDEWEB)

    Thu, Nguyen Van [Department of Physics, Hanoi Pedagogical University No. 2, Hanoi (Viet Nam); Phat, Tran Huu [Vietnam Atomic Energy Commission, 59 Ly Thuong Kiet, Hanoi (Viet Nam); Song, Pham The, E-mail: thesong80@icloud.com [Tay Bac University, Son La (Viet Nam)

    2016-04-01

    Highlights: • System of two segregated Bose–Einstein condensates limited by a wall is studied. • Double-parabola approximation is applied to Gross–Pitaevskii theory. • Interface tension and wetting phase diagram are established. - Abstract: The wetting phase transition in the system of two segregated Bose–Einstein condensates (BECs) restricted by a hard wall is studied by means of the double-parabola approximation (DPA) applied to the Gross–Pitaevskii (GP) theory. We found the interfacial tension and the wetting phase diagram which depend weakly on the spatial restriction.

  4. Local-order metric for condensed-phase environments

    Science.gov (United States)

    Martelli, Fausto; Ko, Hsin-Yu; Oǧuz, Erdal C.; Car, Roberto

    2018-02-01

    We introduce a local order metric (LOM) that measures the degree of order in the neighborhood of an atomic or molecular site in a condensed medium. The LOM maximizes the overlap between the spatial distribution of sites belonging to that neighborhood and the corresponding distribution in a suitable reference system. The LOM takes a value tending to zero for completely disordered environments and tending to one for environments that perfectly match the reference. The site-averaged LOM and its standard deviation define two scalar order parameters, S and δ S , that characterize with excellent resolution crystals, liquids, and amorphous materials. We show with molecular dynamics simulations that S , δ S , and the LOM provide very insightful information in the study of structural transformations, such as those occurring when ice spontaneously nucleates from supercooled water or when a supercooled water sample becomes amorphous upon progressive cooling.

  5. Carbon in condensed hydrocarbon phases, steels and cast irons

    Directory of Open Access Journals (Sweden)

    GAFAROVA Victoria Alexandrovna

    2017-11-01

    Full Text Available The article presents a review of studies carried out mainly by the researchers of the Ufa State Petroleum Technological University, which are aimed at detection of new properties of carbon in such condensed media as petroleum and coal pitches, steels and cast irons. Carbon plays an important role in the industry of construction materials being a component of road and roof bitumen and setting the main mechanical properties of steels. It was determined that crystal-like structures appear in classical glass-like substances – pitches which contain several thousands of individual hydrocarbons of various compositions. That significantly extends the concept of crystallinity. In structures of pitches, the control parameter of the staged structuring process is paramagnetism of condensed aromatic hydrocarbons. Fullerenes were detected in steels and cast irons and identified by various methods of spectrometry and microscopy. Fullerene С60, which contains 60 carbon atoms, has diameter of 0,7 nm and is referred to the nanoscale objects, which have a significant influence on the formation of steel and cast iron properties. It was shown that fullerenes appear at all stages of manufacture of cast irons; they are formed during introduction of carbon from the outside, during crystallization of metal in welded joints. Creation of modified fullerene layers in steels makes it possible to improve anticorrosion and tribological properties of structural materials. At the same time, outside diffusion of carbon from the carbon deposits on the metal surface also leads to formation of additional amount of fullerenes. This creates conditions for occurrence of local microdistortions of the structure, which lead to occurrence of cracks. Distribution of fullerenes in iron matrix is difficult to study as the method is labor-intensive, it requires dissolution of the matrix in the hydrofluoric acid and stage fullerene separation with further identification by spectral methods.

  6. Fundamental thermochemical properties of amino acids: gas-phase and aqueous acidities and gas-phase heats of formation.

    Science.gov (United States)

    Stover, Michele L; Jackson, Virgil E; Matus, Myrna H; Adams, Margaret A; Cassady, Carolyn J; Dixon, David A

    2012-03-08

    The gas-phase acidities of the 20 L-amino acids have been predicted at the composite G3(MP2) level. A broad range of structures of the neutral and anion were studied to determine the lowest energy conformer. Excellent agreement is found with the available experimental gas-phase deprotonation enthalpies, and the calculated values are within experimental error. We predict that tyrosine is deprotonated at the CO(2)H site. Cysteine is predicted to be deprotonated at the SH but the proton on the CO(2)H is shared with the S(-) site. Self-consistent reaction field (SCRF) calculations with the COSMO parametrization were used to predict the pK(a)'s of the non-zwitterion form in aqueous solution. The differences in the non-zwitterion pK(a) values were used to estimate the free energy difference between the zwitterion and nonzwitterion forms in solution. The heats of formation of the neutral compounds were calculated from atomization energies and isodesmic reactions to provide the first reliable set of these values in the gas phase. Further calculations were performed on five rare amino acids to predict their heats of formation, acidities, and pK(a) values.

  7. Active thermochemical tables: water and water dimer.

    Science.gov (United States)

    Ruscic, Branko

    2013-11-21

    A new partition function for water dimer in the temperature range 200-500 K was developed by exploiting the equations of state for real water vapor, liquid water, and ice, and demonstrated to be significantly more accurate than any proposed so far in the literature. The new partition function allows the Active Thermochemical Tables (ATcT) approach to be applied on the available experimental and theoretical data relating to water dimer thermochemistry, leading to accurate water dimer enthalpies of formation of -499.115 ± 0.052 kJ mol(-1) at 298.15 K and -491.075 ± 0.080 kJ mol(-1) at 0 K. With the current ATcT enthalpy of formation of the water monomer, -241.831 ± 0.026 kJ mol(-1) at 298.15 K (-238.928 kJ mol(-1) at 0 K), this leads to the dimer bond dissociation enthalpy at 298.15 K of 15.454 ± 0.074 kJ mol(-1) and a 0 K bond dissociation energy of 13.220 ± 0.096 kJ mol(-1) (1105 ± 8 cm(-1)), the latter being in perfect agreement with recent experimental and theoretical determinations. The new partition function of water dimer allows the extraction and tabulation of heat capacity, entropy, enthalpy increment, reduced Gibbs energy, enthalpy of formation, and Gibbs energy of formation. Newly developed tabulations of analogous thermochemical properties for gas-phase water monomer and for water in condensed phases are also given, allowing the computations of accurate equilibria between the dimer and monomer in the 200-500 K range of temperatures.

  8. Detonation propagation in annular arcs of condensed phase explosives

    Science.gov (United States)

    Ioannou, Eleftherios; Schoch, Stefan; Nikiforakis, Nikolaos; Michael, Louisa

    2017-11-01

    We present a numerical study of detonation propagation in unconfined explosive charges shaped as an annular arc (rib). Steady detonation in a straight charge propagates at constant speed, but when it enters an annular section, it goes through a transition phase and eventually reaches a new steady state of constant angular velocity. This study examines the speed of the detonation wave along the annular charge during the transition phase and at steady state, as well as its dependence on the dimensions of the annulus. The system is modeled using a recently proposed diffuse-interface formulation which allows for the representation of a two-phase explosive and of an additional inert material. The explosive considered is the polymer-bonded TATB-based LX-17 and is modeled using two Jones-Wilkins-Lee (JWL) equations of state and the ignition and growth reaction rate law. Results show that steady state speeds are in good agreement with experiment. In the transition phase, the evolution of outer detonation speed deviates from the exponential bounded growth function suggested by previous studies. We propose a new description of the transition phase which consists of two regimes. The first regime is caused by local effects at the outer edge of the annulus and leads to a dependence of the outer detonation speed on the angular position along the arc. The second regime is induced by effects originating from the inner edge of the annular charge and leads to the deceleration of the outer detonation until steady state is reached. The study concludes with a parametric study where the dependence of the steady state and the transition phase on the dimensions of the annulus is investigated.

  9. Constructing a unique two-phase compressibility factor model for lean gas condensates

    Energy Technology Data Exchange (ETDEWEB)

    Moayyedi, Mahmood; Gharesheikhlou, Aliashghar [Research Institute of Petroleum Industry (RIPI), Tehran (Iran, Islamic Republic of); Azamifard, Arash; Mosaferi, Emadoddin [Amirkabir University of Technology (AUT), Tehran (Iran, Islamic Republic of)

    2015-02-15

    Generating a reliable experimental model for two-phase compressibility factor in lean gas condensate reservoirs has always been demanding, but it was neglected due to lack of required experimental data. This study presents the main results of constructing the first two-phase compressibility factor model that is completely valid for Iranian lean gas condensate reservoirs. Based on a wide range of experimental data bank for Iranian lean gas condensate reservoirs, a unique two-phase compressibility factor model was generated using design of experiments (DOE) method and neural network technique (ANN). Using DOE, a swift cubic response surface model was generated for two-phase compressibility factor as a function of some selected fluid parameters for lean gas condensate fluids. The proposed DOE and ANN models were finally validated using four new independent data series. The results showed that there is a good agreement between experimental data and the proposed models. In the end, a detailed comparison was made between the results of proposed models.

  10. Phase-contrast x-ray tomography for soft and hard condensed matter

    NARCIS (Netherlands)

    Kostenko, A.

    2013-01-01

    Phase-Contrast Tomography (PCT) is becoming an important technique for nondestructive, in-situ characterization of soft and hard condensed matter. This thesis sheds light on our progress in developing novel tomographic reconstruction algorithms in combination with in-situ experimental approaches

  11. Operando Spectroscopy of the Gas-Phase Aldol Condensation of Propanal over Solid Base Catalysts

    NARCIS (Netherlands)

    Hernández-giménez, Ana M.; Ruiz-martínez, Javier; Puértolas, Begoña; Pérez-ramírez, Javier; Bruijnincx, Pieter C. A.; Weckhuysen, Bert M.

    2017-01-01

    The gas-phase aldol condensation of propanal, taken as model for the aldehyde components in bio-oils, has been studied with a combined operando set-up allowing to perform FT-IR & UV–Vis diffuse reflectance spectroscopy (DRS) with on-line mass spectrometry (MS). The selected solid base catalysts, a

  12. Formation of an order in a system of exciton condensed phase islands in quantum wells

    OpenAIRE

    Sugakov, V. I.

    2004-01-01

    A theory of exciton condensed phase creation in two-dimensional system is presented. The theory is applied to explain the appearance of the periodical fragmentation which was observed last years in luminescence from the ring around laser spot in crystal with double quantum wells.

  13. 2005 Annual Report Summer Research Institute Interfacial and Condensed Phase Chemical Physics

    Energy Technology Data Exchange (ETDEWEB)

    Barlow, Stephan E.

    2005-11-15

    The Pacific Northwest National Laboratory (PNNL) hosted its second annual Summer Research Institute in Interfacial and Condensed Phase Chemical Physics from May through September 2005. During this period, sixteen PNNL scientists hosted fourteen young scientists from eleven different universities. Of the fourteen participants, twelve were graduate students; one was a postdoctoral fellow; and one was a university faculty member.

  14. Out of equilibrium phase transitions and a toy model for disoriented chiral condensates

    International Nuclear Information System (INIS)

    Bedaque, P.F.; Das, A.

    1993-07-01

    We study the dynamics of a second order phase transition in a situation that mimics a sudden quench to a temperature below the critical temperature in a model with dynamical symmetry breaking. In particular we show that the domains of correlated values of the condensate grow as √t and that this result seems to be largely model independent. (author). 9 refs

  15. Nonlinear optical response in condensed phases : A microscopic theory using the multipolar Hamiltonian

    NARCIS (Netherlands)

    Knoester, Jasper; Mukamel, Shaul

    1990-01-01

    A general scheme is presented for calculating the nonlinear optical response in condensed phases that provides a unified picture of excitons, polaritons, retardation, and local-field effects in crystals and in disordered systems. A fully microscopic starting point is taken by considering the

  16. Constructing a unique two-phase compressibility factor model for lean gas condensates

    International Nuclear Information System (INIS)

    Moayyedi, Mahmood; Gharesheikhlou, Aliashghar; Azamifard, Arash; Mosaferi, Emadoddin

    2015-01-01

    Generating a reliable experimental model for two-phase compressibility factor in lean gas condensate reservoirs has always been demanding, but it was neglected due to lack of required experimental data. This study presents the main results of constructing the first two-phase compressibility factor model that is completely valid for Iranian lean gas condensate reservoirs. Based on a wide range of experimental data bank for Iranian lean gas condensate reservoirs, a unique two-phase compressibility factor model was generated using design of experiments (DOE) method and neural network technique (ANN). Using DOE, a swift cubic response surface model was generated for two-phase compressibility factor as a function of some selected fluid parameters for lean gas condensate fluids. The proposed DOE and ANN models were finally validated using four new independent data series. The results showed that there is a good agreement between experimental data and the proposed models. In the end, a detailed comparison was made between the results of proposed models

  17. Phase separation and dynamics of two-component Bose-Einstein condensates

    DEFF Research Database (Denmark)

    Lee, Kean Loon; Jørgensen, Nils Byg; Liu, I-Kang

    2016-01-01

    The miscibility of two interacting quantum systems is an important testing ground for the understanding of complex quantum systems. Two-component Bose-Einstein condensates enable the investigation of this scenario in a particularly well controlled setting. In a homogeneous system, the transition...... critically on atom numbers. We demonstrate how monitoring of damping rates and frequencies of dipole oscillations enables the experimental mapping of the phase diagram by numerical implementation of a fully self-consistent finite-temperature kinetic theory for binary condensates. The change in damping rate...

  18. Anisotropic properties of phase separation in two-component dipolar Bose-Einstein condensates

    Science.gov (United States)

    Wang, Wei; Li, Jinbin

    2018-03-01

    Using Crank-Nicolson method, we calculate ground state wave functions of two-component dipolar Bose-Einstein condensates (BECs) and show that, due to dipole-dipole interaction (DDI), the condensate mixture displays anisotropic phase separation. The effects of DDI, inter-component s-wave scattering, strength of trap potential and particle numbers on the density profiles are investigated. Three types of two-component profiles are present, first cigar, along z-axis and concentric torus, second pancake (or blood cell), in xy-plane, and two non-uniform ellipsoid, separated by the pancake and third two dumbbell shapes.

  19. Heterogeneous oxidation of pesticides on aerosol condensed phase

    Science.gov (United States)

    Socorro, Joanna; Durand, Amandine; Temime-Roussel, Brice; Ravier, Sylvain; Gligorovski, Sasho; Wortham, Henri; Quivet, Etienne

    2015-04-01

    Pesticides are widely used all over the world. It is known that they exhibit adverse health effects and environmental risks due to their physico-chemical properties and their extensive use which is growing every year. They are distributed in the atmosphere, an important vector of dissemination, over long distances away from the target area. The partitioning of pesticides between the gas and particulate phases influences their atmospheric fate. Most of the pesticides are semi-volatile compounds, emphasizing the importance of assessing their heterogeneous reactivity towards atmospheric oxidants. These reactions are important because they are involved in, among others, direct and indirect climate changes, adverse health effects from inhaled particles, effects on cloud chemistry and ozone production. In this work, the importance of atmospheric degradation of pesticides is evaluated on the surface of aerosol deliquescent particles. The photolysis processing and heterogeneous reactivity towards O3 and OH, was evaluated of eight commonly used pesticides (cyprodinil, deltamethrin, difenoconazole, fipronil, oxadiazon, pendimethalin, permethrin, tetraconazole) adsorbed on silica particles. Silicate particles are present in air-borne mineral dust in atmospheric aerosols, and heterogeneous reactions can be different in the presence of these mineral particles. Depending on their origin and conditioning, aerosol particles containing pesticides can have complex and highly porous microstructures, which are influenced by electric charge effects and interaction with water vapour. Therefore, the kinetic experiments and consecutive product studies were performed at atmospherically relevant relative humidity (RH) of 55 %. The identification of surface bound products was performed using GC-(QqQ)-MS/MS and LC-(Q-ToF)-MS/MS and the gas-phase products were on-line monitored by PTR-ToF-MS. Based on the detected and identified reaction products, it was observed that water plays a crucial

  20. Thermochemical evaluation and preparation of cesium uranates

    International Nuclear Information System (INIS)

    Takano, Masahide; Minato, Kazuo; Fukuda, Kousaku; Sato, Seichi; Ohashi, Hiroshi.

    1997-03-01

    Two kinds of cesium uranates, Cs 2 UO 4 and Cs 2 U 2 O 7 , which are predicted by thermochemical estimation to be formed in irradiated oxide fuels, were prepared from U 3 O 8 and Cs 2 CO 3 for measurements of the thermal expansions and thermal conductivities. In advance of the preparation, thermochemical calculations for the formation and decomposition of these cesium uranates were performed by Gibbs free energy minimizer. The preparation temperatures for Cs 2 UO 4 and Cs 2 U 2 O 7 were determined from the results of the thermochemical calculations. The prepared samples were analyzed by X-ray diffraction, which showed that the single phases of Cs 2 UO 4 and Cs 2 U 2 O 7 were formed. Thermogravimetry and differential thermal analysis were also performed on these samples, and the decomposition temperatures were evaluated. The experimental results were in good agreement with those of the thermochemical calculations. (author)

  1. Aromaticity of benzene in condensed phases. A case of a benzene-water system

    Science.gov (United States)

    Zborowski, Krzysztof K.

    2014-05-01

    A theoretical Density Functional Theory study was performed for a benzene molecule in water cages. Two DFT functionals (B3LYP and BLYP) were employed. The optimized geometries of the studied clusters were used to calculate the aromaticity of benzene in a condensed phase using the aromaticity indices: HOMA, NICS, PDI, and H. The results were compared with aromaticity of a single benzene molecule in the gas phase and in the solvent environment provided by the PCM continuum model. It is argued that high aromaticity of benzene in the gas phase is retained in the water environment.

  2. Phase space theory of Bose–Einstein condensates and time-dependent modes

    International Nuclear Information System (INIS)

    Dalton, B.J.

    2012-01-01

    A phase space theory approach for treating dynamical behaviour of Bose–Einstein condensates applicable to situations such as interferometry with BEC in time-dependent double well potentials is presented. Time-dependent mode functions are used, chosen so that one, two,…highly occupied modes describe well the physics of interacting condensate bosons in time dependent potentials at well below the transition temperature. Time dependent mode annihilation, creation operators are represented by time dependent phase variables, but time independent total field annihilation, creation operators are represented by time independent field functions. Two situations are treated, one (mode theory) is where specific mode annihilation, creation operators and their related phase variables and distribution functions are dealt with, the other (field theory) is where only field creation, annihilation operators and their related field functions and distribution functionals are involved. The field theory treatment is more suitable when large boson numbers are involved. The paper focuses on the hybrid approach, where the modes are divided up between condensate (highly occupied) modes and non-condensate (sparsely occupied) modes. It is found that there are extra terms in the Ito stochastic equations both for the stochastic phases and stochastic fields, involving coupling coefficients defined via overlap integrals between mode functions and their time derivatives. For the hybrid approach both the Fokker–Planck and functional Fokker–Planck equations differ from those derived via the correspondence rules, the drift vectors are unchanged but the diffusion matrices contain additional terms involving the coupling coefficients. Results are also presented for the combined approach where all the modes are treated as one set. Here both the Fokker–Planck and functional Fokker–Planck equations are exactly the same as those derived via the correspondence rules. However, although the Ito

  3. Phase transition analogous to Bose-Einstein condensation in systems of noninteracting surfactant aggregates

    International Nuclear Information System (INIS)

    Cuesta, Jose A.; Sear, Richard P.

    2002-01-01

    Ideal bosons and a classical system of monomers that aggregate forming noninteracting ring polymers are known to have the same partition function. So, the ring polymers have a phase transition, the analogue of Bose-Einstein condensation of bosons. At this phase transition macroscopic polymers are formed. The link between these systems is made via Feynman's path integrals: these integrals are the same for the trajectories of the bosons in imaginary time and for the configurations of the polymers. We show that a transition of this general form occurs within a whole class of aggregating systems. Examples are the lamellae formation in suspensions of disclike micelles or the emulsification failure observed in water-oil-surfactant emulsions. As with bosons, the transition occurs even when aggregates do not interact. The λ-transition in 4 He is believed to be Bose-Einstein condensation modified by interatomic interactions. We suggest that interaggregate interactions too only modify the transition we have found

  4. 2006 Annual Report Summer Research Institute Interfacial and Condensed Phase Chemical Physics

    Energy Technology Data Exchange (ETDEWEB)

    Avery, Nikki B.; Barlow, Stephan E.

    2006-11-10

    The Pacific Northwest National Laboratory (PNNL) hosted its third annual Summer Research Institute in Interfacial and Condensed Phase Chemical Physics from May through September 2006. During this period, twenty PNNL scientists hosted twenty-seven scientists from twenty-five different universities. Of the twenty-seven participants, one was a graduating senior; twenty-one were graduate students; one was a postdoctoral fellow; and four were university faculty members.

  5. Method of measuring interface area of activated carbons in condensed phase

    Science.gov (United States)

    Dmitriyev, D. S.; Agafonov, D. V.; Kiseleva, E. A.; Mikryukova, M. A.

    2018-01-01

    In this work, we investigated the correlation between the heat of wetting of super-capacitor electrode material (activated carbon) with condensed phases (electrolytes based on homologous series of phosphoric acid esters) and the capacity of the supercapacitor. The surface area of the electrode-electrolyte interface was calculated according to the obtained correlations using the conventional formula for calculating the capacitance of a capacitor.

  6. 2007 Annual Report Summer Research Institute Interfacial and Condensed Phase Chemical Physics

    Energy Technology Data Exchange (ETDEWEB)

    Beck, Kenneth M.

    2007-10-31

    The Pacific Northwest National Laboratory (PNNL) hosted its fourth annual Summer Research Institute in Interfacial and Condensed Phase Chemical Physics from April through September 2007. During this time, 21 PNNL scientists hosted 23 participants from 20 different universities. Of the 23 participants, 20 were graduate students, 1 was a postdoctoral fellow, and 2 were university faculty members. This report covers the essense of the program and the research the participants performed.

  7. Photothermal experiments on condensed phase samples of agricultural interest : optical and thermal characterization

    OpenAIRE

    Favier, J.P.

    1997-01-01


    A rapidly increasing number of photothermal (PT) techniques has had a considerable impact on agriculture and environmental sciences in the last decade. It was the purpose of the work described here to develop and apply new PT techniques in this specific field of research.

    Chapter I is a general introduction with an overview of PT techniques used in this research. Two different photoacoustic (PA) techniques used for optical characterization of a variety of condensed phase sa...

  8. The influence of non condensible gas on two phase critical flow

    International Nuclear Information System (INIS)

    Celata, G.P.; Cumo, M.; D'Annibale, F.; Farello, G.E.

    1987-01-01

    With reference to Loss-of-Coolant Accidents in Pressurized Water Reactors and in the frame of the wide scientific landscape of blowdown experiments aiming to the improvement of two-phase critical flows knowledge, it is of interest the analysis of non condensible gas influence on the critical flow (radiolytic gases,metal-water reactions products etc.). The present paper deals with an experiment referring to two-phase steam-water critical flows from long tubes, in which known air flowrates are injected in the stagnation region. The aim of the experiment is to detect the influence of non-condensible gas on the two-phase critical flow behaviour (critical mass flow rate, pressure and temperature profiles along the discharge channel etc.) as well as to individuate the limit, in terms of air concentration, beyond which the critical flow is affected by the presence of the gas. The employed test section is a vertical, circular duct channel with an inner diameter of 4.6 mm and a length of 1500 mm (L/D = 325). Results of initially subcooled liquid experiments (together with some data of satured liquid discharges), up to 15 bars are reported with the analysis of non-condensible effects in the different stagnation conditions

  9. Studies of cluster-assembled materials: From gas phase to condensed phase

    Science.gov (United States)

    Gao, Lin

    (ESI-MS), Ultraviolet-Visible Spectroscopy (Uv-Vis), Nuclear Magnetic Resonance (NMR) for solution phase and Transmission Electron Microscopy (TEM) for the condensed phase. In particular, undeca-, dodeca- and trideca-gold clusters protected by depp and halogen ligands, i.e. [Au11-13(depp) 4Cl2-4]+, are found to be all predominant and persist in solution for months, while they gradually and spontaneously grow into a monomial trideca-gold clusters series. The unique preferred ligand combination, depp along with Cl, is discussed in terms of the ligand-core interaction and the closed-shell electronic configurations of the Au n (n = 11-13) cores, which enables them to serve as building units for larger cluster-assembled nanoparticles and form Self-Assembled Arrays (SAAs), as discovered by TEM measurements. Such spontaneous-growth behavior and the resultant SAAs observations are correlated by icosahedra-close-packing modes of clusters, following "magic numbers" rules. ˜7 shells of such cluster packing are proposed to be in the SAAs.

  10. A new low-frequency power unit based on principle of converting phase condenser

    International Nuclear Information System (INIS)

    Liu Lianye; Zhu Yulong

    1988-02-01

    While a magnetic reluctance motor is used for driving a reactor control rod, it needs a low-frequency power unit. In this case it's phase sequence can be positive or negative. In a project this power unit is a frequency converter based on principle of converting phase resistance from a alternative current frequency to another one controlled by silicon controlled rectifier. But in practical use, it often broke down due to fusing of fuses or malfunction of silicon controlled rectifiers and converting phase resistances and so on. A new low-frequency power unit based on principle of converting phase condenser instead of converting phase resistance is described. It stood up to all tests of laboratory and actual application, it is proved that the new low-frequency power unit has the advantage over the old one in many sides, such as simpler circuit, smaller heat generating, higher lifting power of drive mechanism, and increased reliability

  11. Blanket materials for fusion reactors: comparisons of thermochemical performance

    International Nuclear Information System (INIS)

    Johnson, C.E.; Fischer, A.K.; Tetenbaum, M.

    1984-01-01

    Thermodynamic calculations have been made to predict the thermochemical performance of the fusion reactor breeder materials, Li 2 O, LiAlO 2 , and Li 4 SiO 4 in the temperature range 900 to 1300 0 K and in the oxygen activity range 10 -25 to 10 -5 . Except for a portion of these ranges, the performance of LiAlO 2 is predicted to be better than that of Li 2 O and Li 4 SiO 4 . The protium purge technique for enhancing tritium release is explored for the Li 2 O system; it appears advantageous at higher temperatures but should be used cautiously at lower temperatures. Oxygen activity is an important variable in these systems and must be considered in executing and interpreting measurements on rates of tritium release, the form of released tritium, diffusion of tritiated species and their identities, retention of tritium in the condensed phase, and solubility of hydrogen isotope gases

  12. Phase zone plates as condensers for the Gottingen scanning x-ray microscope

    International Nuclear Information System (INIS)

    Hilkenbach, R.; Thieme

    1987-01-01

    With the Gottingen scanning x-ray microscope the synchrotron source is image by x-ray optics into a monochromatic small scan spot, through which a specimen can be moved. Hereby one part of the optics, the condenser zone plate and a pinhole, works as a linear monochromator in the wavelength region of λ = 2.36 nm to λ = 4.5 nm. The efficiency of such a condenser should be as high as possible to minimize the loss of radiation. Phase zone plates have a four times higher efficiency in the first order of diffraction than amplitude zone plates. Two condenser zone plates, KZP4 and KZP5, have been constructed so that they are well suited for the use in the scanning microscope. These zone plates have been made holographically by superposing two wavefronts of laser light in an specific designed optical arrangement and exposing the zone plate structure into a photoresist. Using reactive ion etching (RIE) the structure has been transformed into Germanium. The thickness of the zone plate has been chosen to show at λ = 2.36 nm a phase effect. The efficiency has been measured at the Berliner Elektronenspeircherring Gesellschaft fur Synchrotronstrahlung m.b.H., Berlin

  13. Thermochemical Surface Engineering: A Playground for Science and Innovation

    DEFF Research Database (Denmark)

    Christiansen, Thomas Lundin; Dahl, Kristian Vinter; Jellesen, Morten Stendahl

    2017-01-01

    Surface engineering by thermochemical processing is the intentional change of the composition of a material at elevated temperature with the purpose to improve materials performance. In thermochemical processing components from the starting material are essential in the development of the phases ...... hardening of titanium alloys, as well as thermo-reactive diffusion for extreme wear resistance...

  14. Phase-space methods for the spin dynamics in condensed matter systems

    Science.gov (United States)

    Hurst, Jérôme; Hervieux, Paul-Antoine; Manfredi, Giovanni

    2017-03-01

    Using the phase-space formulation of quantum mechanics, we derive a four-component Wigner equation for a system composed of spin- fermions (typically, electrons) including the Zeeman effect and the spin-orbit coupling. This Wigner equation is coupled to the appropriate Maxwell equations to form a self-consistent mean-field model. A set of semiclassical Vlasov equations with spin effects is obtained by expanding the full quantum model to first order in the Planck constant. The corresponding hydrodynamic equations are derived by taking velocity moments of the phase-space distribution function. A simple closure relation is proposed to obtain a closed set of hydrodynamic equations. This article is part of the themed issue 'Theoretical and computational studies of non-equilibrium and non-statistical dynamics in the gas phase, in the condensed phase and at interfaces'.

  15. Thermochemical Process Development Unit

    Data.gov (United States)

    Federal Laboratory Consortium — This facility is used to demonstrate and evaluate the thermochemical conversion of biomass to produce syngas or pyrolysis oil that can be further converted to fuels...

  16. Coherent Control of Multiphoton Transitions in the Gas and Condensed Phases with Shaped Ultrashort Pulses

    Energy Technology Data Exchange (ETDEWEB)

    Marcos Dantus

    2008-09-23

    Controlling laser-molecule interactions has become an integral part of developing devices and applications in spectroscopy, microscopy, optical switching, micromachining and photochemistry. Coherent control of multiphoton transitions could bring a significant improvement of these methods. In microscopy, multi-photon transitions are used to activate different contrast agents and suppress background fluorescence; coherent control could generate selective probe excitation. In photochemistry, different dissociative states are accessed through two, three, or more photon transitions; coherent control could be used to select the reaction pathway and therefore the yield-specific products. For micromachining and processing a wide variety of materials, femtosecond lasers are now used routinely. Understanding the interactions between the intense femtosecond pulse and the material could lead to technologically important advances. Pulse shaping could then be used to optimize the desired outcome. The scope of our research program is to develop robust and efficient strategies to control nonlinear laser-matter interactions using ultrashort shaped pulses in gas and condensed phases. Our systematic research has led to significant developments in a number of areas relevant to the AMO Physics group at DOE, among them: generation of ultrashort phase shaped pulses, coherent control and manipulation of quantum mechanical states in gas and condensed phases, behavior of isolated molecules under intense laser fields, behavior of condensed phase matter under intense laser field and implications on micromachining with ultrashort pulses, coherent control of nanoparticles their surface plasmon waves and their nonlinear optical behavior, and observation of coherent Coulomb explosion processes at 10^16 W/cm^2. In all, the research has resulted in 36 publications (five journal covers) and nine invention disclosures, five of which have continued on to patenting

  17. Cold storage condensation heat recovery system with a novel composite phase change material

    International Nuclear Information System (INIS)

    Xia, Mingzhu; Yuan, Yanping; Zhao, Xudong; Cao, Xiaoling; Tang, Zhonghua

    2016-01-01

    Highlights: • Cold storage condensation heat recovery system using PCM was proposed. • CW with a phase change temperature of nearly 80 °C was selected as the potential PCM. • The optimal mass ratio between the CW and EG was 10:1. • The thermal and physical performances of the CW/EG were investigated. • The thermal reliability was demonstrated by 1000 cycles. - Abstract: Using condensation heat from cold storage refrigeration systems to provide heat for domestic hot water preparation and industrial hot water supply promotes energy conservation. However, few studies have investigated cold storage condensation heat recovery using phase change materials (PCMs). In this study, a cold storage condensation heat recovery system that uses PCMs has been designed and analysed. According to the principle of energy cascade recycling, different operation modes could be effectively switched to recycle condensation heat. Furthermore, a novel and suitable phase change composite material is developed for cold storage condensation heat recovery, which has a relatively large latent heat, high thermal conductivity, and an appropriate phase change temperature (i.e. 80 °C). With carnauba wax (CW) as the PCM and expanded graphite (EG) as the additive, a composite was developed with an optimal mass ratio of CW:EG = 10:1. The thermal and physical properties and the interior structure of the composite were then investigated using a scanning electron microscope (SEM), thermal constants analyser (Hot Disk), differential scanning calorimeter (DSC), and Fourier transform infrared spectrometer (FT-IR). Furthermore, experiments on the melting and solidification processes and accelerated thermal cycling were also conducted. It was found that at the optimal mass ratio of 10:1, the temperatures of the CW/EG composite in the melting and solidification processes were 81.98 °C and 80.43 °C, respectively, while the corresponding latent heats were 150.9 J/g and 142.6 J/g, respectively

  18. Interferometric sensitivity and entanglement by scanning through quantum phase transitions in spinor Bose-Einstein condensates

    Science.gov (United States)

    Feldmann, P.; Gessner, M.; Gabbrielli, M.; Klempt, C.; Santos, L.; Pezzè, L.; Smerzi, A.

    2018-03-01

    Recent experiments demonstrated the generation of entanglement by quasiadiabatically driving through quantum phase transitions of a ferromagnetic spin-1 Bose-Einstein condensate in the presence of a tunable quadratic Zeeman shift. We analyze, in terms of the Fisher information, the interferometric value of the entanglement accessible by this approach. In addition to the Twin-Fock phase studied experimentally, we unveil a second regime, in the broken axisymmetry phase, which provides Heisenberg scaling of the quantum Fisher information and can be reached on shorter time scales. We identify optimal unitary transformations and an experimentally feasible optimal measurement prescription that maximize the interferometric sensitivity. We further ascertain that the Fisher information is robust with respect to nonadiabaticity and measurement noise. Finally, we show that the quasiadiabatic entanglement preparation schemes admit higher sensitivities than dynamical methods based on fast quenches.

  19. Multiple pollutant removal using the condensing heat exchanger: Phase 1 final report, October 1995--July 1997

    Energy Technology Data Exchange (ETDEWEB)

    Bailey, R.T.; Jankura, B.J.; Kudlac, G.A.

    1998-06-01

    The Integrated Flue Gas Treatment (IFGT) system is a new concept whereby a Teflon{reg_sign} covered condensing heat exchanger is adapted to remove certain flue gas constitutents, both particulate and gaseous, while recovering low level heat. Phase 1 includes two experimental tasks. One task dealt principally with the pollutant removal capabilities of the IFGT at a scale of about 1.2MW{sub t}. The other task studied the durability of the Teflon{reg_sign} covering to withstand the rigors of abrasive wear by fly ash emitted as a result of coal combustion. The pollutant removal characteristics of the IFGT system were measured over a wide range of operating conditions. The coals tested included high, medium and low-sulfur coals. The flue gas pollutants studied included ammonia, hydrogen chloride, hydrogen fluoride, particulate, sulfur dioxide, gas phase and particle phase mercury and gas phase and particle phase trace elements. The particulate removal efficiency and size distribution was investigated. These test results demonstrated that the IFGT system is an effective device for both acid gas absorption and fine particulate collection. The durability of the Teflon{reg_sign} covered heat exchanger tubes was studied on a pilot-scale single-stage condensing heat exchanger (CHX{reg_sign}). Data from the test indicate that virtually no decrease in Teflon{reg_sign} thickness was observed for the coating on the first two rows of heat exchanger tubes, even at high inlet particulate loadings. Evidence of wear was present only at the microscopic level, and even then was very minor in severity.

  20. Current-phase relation of a Bose-Einstein condensate flowing through a weak link

    International Nuclear Information System (INIS)

    Piazza, F.; Smerzi, A.; Collins, L. A.

    2010-01-01

    We study the current-phase relation of a Bose-Einstein condensate flowing through a repulsive square barrier by solving analytically the one-dimensional Gross-Pitaevskii equation. The barrier height and width fix the current-phase relation j(δφ), which tends to j∼cos(δφ/2) for weak barriers and to the Josephson sinusoidal relation j∼sin(δφ) for strong barriers. Between these two limits, the current-phase relation depends on the barrier width. In particular, for wide-enough barriers, we observe two families of multivalued current-phase relations. Diagrams belonging to the first family, already known in the literature, can have two different positive values of the current at the same phase difference. The second family, new to our knowledge, can instead allow for three different positive currents still corresponding to the same phase difference. Finally, we show that the multivalued behavior arises from the competition between hydrodynamic and nonlinear-dispersive components of the flow, the latter due to the presence of a soliton inside the barrier region.

  1. A mapping variable ring polymer molecular dynamics study of condensed phase proton-coupled electron transfer

    Science.gov (United States)

    Pierre, Sadrach; Duke, Jessica R.; Hele, Timothy J. H.; Ananth, Nandini

    2017-12-01

    We investigate the mechanisms of condensed phase proton-coupled electron transfer (PCET) using Mapping-Variable Ring Polymer Molecular Dynamics (MV-RPMD), a recently developed method that employs an ensemble of classical trajectories to simulate nonadiabatic excited state dynamics. Here, we construct a series of system-bath model Hamiltonians for the PCET, where four localized electron-proton states are coupled to a thermal bath via a single solvent mode, and we employ MV-RPMD to simulate state population dynamics. Specifically, for each model, we identify the dominant PCET mechanism, and by comparing against rate theory calculations, we verify that our simulations correctly distinguish between concerted PCET, where the electron and proton transfer together, and sequential PCET, where either the electron or the proton transfers first. This work represents a first application of MV-RPMD to multi-level condensed phase systems; we introduce a modified MV-RPMD expression that is derived using a symmetric rather than asymmetric Trotter discretization scheme and an initialization protocol that uses a recently derived population estimator to constrain trajectories to a dividing surface. We also demonstrate that, as expected, the PCET mechanisms predicted by our simulations are robust to an arbitrary choice of the initial dividing surface.

  2. Numerical prediction of steady-state detonation properties of condensed-phase explosives.

    Science.gov (United States)

    Cengiz, F; Ulas, A

    2009-12-30

    Within the scope of this study, a computer code named BARUT-X has been developed to calculate the detonation properties of C-H-N-O based condensed-phase explosives using the Chapman-Jouguet (C-J) theory. Determination of the detonation properties is performed in chemical equilibrium and steady-state conditions. Unlike other codes in the literature which use steepest descent optimization method, BARUT-X uses a nonlinear optimization code based on Generalized Reduced Gradient algorithm to compute the equilibrium composition of the detonation products. This optimization code provides a higher level of robustness of the solutions and global optimum determination efficiency. The Becker-Kistiakowsky-Wilson's (BKW) equation of state (EOS) is applied to the high-density gaseous detonation products at high pressures. BARUT-X uses RDX, TNT, BKWR, and BKWN set of constants in the BKW EOS. In addition, the Cowan-Fickett's EOS is applied for the compressible solid carbon in the detonation products. The calculated detonation properties for several condensed-phase explosives by BARUT-X have been compared with those computed by EXPLO5 and FORTRAN BKW codes as well as the experimental data in terms of detonation velocity and detonation pressure. Satisfactory agreement is obtained from these comparisons.

  3. 2008 Summer Research Institute Interfacial and Condensed Phase Chemical Physics Annual Report

    Energy Technology Data Exchange (ETDEWEB)

    Garrett, Bruce C.; Tonkyn, Russell G.; Avery, Nachael B.

    2008-11-01

    For the fifth year, the Pacific Northwest National Laboratory in Richland, Washington, invited graduate students, postdoctoral fellows, university faculty, and students entering graduate students from around the world to participate in the Summer Research Institute in Interfacial and Condensed Phase Chemical Physics. The institute offers participants the opportunity to gain hands-on experience in top-notch research laboratories while working along internationally respected mentors. Of the 38 applicants, 20 were accepted for the 8- to 10-week program. The participants came from universities as close as Seattle and Portland and as far away as Germany and Singapore. At Pacific Northwest National Laboratory, the 20 participants were mentored by 13 scientists. These mentors help tailor the participant’s experience to the needs of that person. Further, the mentors provide guidance on experimental and theoretical techniques, research design and completion, and other aspects of scientific careers in interfacial and condensed phase chemical physics. The research conducted at the institute can result in tangible benefits for the participants. For example, many have co-authored papers that have been published in peer-reviewed journals, including top-rated journals such as Science. Also, they have presented their research at conferences, such as the Gordon Research Conference on Dynamics at Surfaces and the AVS national meeting. Beyond that, many of the participants have started building professional connections with researchers at Pacific Northwest National Laboratory, connections that will serve them well during their careers.

  4. Thermochemical surface engineering of steels

    DEFF Research Database (Denmark)

    Thermochemical Surface Engineering of Steels provides a comprehensive scientific overview of the principles and different techniques involved in thermochemical surface engineering, including thermodynamics, kinetics principles, process technologies and techniques for enhanced performance of steels...

  5. Quantum mechanical simulations of condensed-phase decomposition dynamics in molten RDX

    Science.gov (United States)

    Schweigert, Igor

    2013-06-01

    A reaction model for condensed-phase decomposition of RDX under pressures up to several GPa is needed to support mesoscale simulations of the energetic material's sensitivity to thermal and shock loading. A prerequisite to developing such a model is the identification of the chemical pathways that control the rate of the initial dissociation and the subsequent decomposition of molecular fragments. We use quantum mechanics based molecular dynamics simulations to follow the decomposition dynamics under high-pressure conditions and to identify the reaction mechanisms. This presentation will describe current applications to the liquid-phase decomposition of molten RDX. This work was supported by the Naval Research Laboratory, by the Office of Naval Research, and by the DOD High Performance Computing Modernization Program Software Application Institute for Multiscale Reactive Modeling of Insensitive Munitions.

  6. Spatial energy distribution around energetic ions in condensed phases. Study by thermoluminescence

    International Nuclear Information System (INIS)

    Montret-Brugerolle, M.

    1980-01-01

    One describes a model that allows the calculation of the spatial energy distribution around a heavy ion trajectory within the physical step of the phenomena involved (10 -13 s). Experimental data are collected in order to chek the model in the condensed phase. The experimental procedure is thermoluminescence (TL). LiF : Mg, Ti, CaF 2 : Dy and CaF 2 : Mn crystals are irradiated with 60 Co-γ rays and with heavy ions: He, Ne, Cu, Kr of various incident energies. An extensive study of the TL light induced by heavy ions bombardment is carried out as a function of the energy and density of the impinging ions. It is shown that the different response observed with respect to γ-irradiation is due neither to TL traps destruction nor to the recombination of a larger amount of charge-carriers. Experimental data and those obtained from the distribution of energy density are compared, and the agreement is satisfactory. Hence, it is thought that the model may be extended to condensed media [fr

  7. Computational studies of adsorption in metal organic frameworks and interaction of nanoparticles in condensed phases

    Energy Technology Data Exchange (ETDEWEB)

    Annapureddy, HVR; Motkuri, RK; Nguyen, PTM; Truong, TB; Thallapally, PK; McGrail, BP; Dang, LX

    2014-02-05

    In this review, we describe recent efforts to systematically study nano-structured metal organic frameworks (MOFs), also known as metal organic heat carriers, with particular emphasis on their application in heating and cooling processes. We used both molecular dynamics and grand canonical Monte Carlo simulation techniques to gain a molecular-level understanding of the adsorption mechanism of gases in these porous materials. We investigated the uptake of various gases such as refrigerants R12 and R143a. We also evaluated the effects of temperature and pressure on the uptake mechanism. Our computed results compared reasonably well with available measurements from experiments, thus validating our potential models and approaches. In addition, we investigated the structural, diffusive and adsorption properties of different hydrocarbons in Ni-2(dhtp). Finally, to elucidate the mechanism of nanoparticle dispersion in condensed phases, we studied the interactions among nanoparticles in various liquids, such as n-hexane, water and methanol.

  8. Toward a reaction rate model of condensed-phase RDX decomposition under high temperatures

    Science.gov (United States)

    Schweigert, Igor

    2015-06-01

    Shock ignition of energetic molecular solids is driven by microstructural heterogeneities, at which even moderate stresses can result in sufficiently high temperatures to initiate material decomposition and chemical energy release. Mesoscale modeling of these ``hot spots'' requires a reaction rate model that describes the energy release with a sub-microsecond resolution and under a wide range of temperatures. No such model is available even for well-studied energetic materials such as RDX. In this presentation, I will describe an ongoing effort to develop a reaction rate model of condensed-phase RDX decomposition under high temperatures using first-principles molecular dynamics, transition-state theory, and reaction network analysis. This work was supported by the Naval Research Laboratory, by the Office of Naval Research, and by the DoD High Performance Computing Modernization Program Software Application Institute for Multiscale Reactive Modeling of Insensitive Munitions.

  9. Emergent quantum phases in a heteronuclear molecular Bose-Einstein condensate model

    Energy Technology Data Exchange (ETDEWEB)

    Duncan, Melissa [Centre for Mathematical Physics, School of Physical Sciences, University of Queensland, Brisbane 4072 (Australia); Foerster, Angela [Instituto de Fisica da UFRGS, Av. Bento Goncalves 9500, Porto Alegre, RS (Brazil); Links, Jon [Centre for Mathematical Physics, School of Physical Sciences, University of Queensland, Brisbane 4072 (Australia)]. E-mail: jrl@maths.uq.edu.au; Mattei, Eduardo [Instituto de Fisica da UFRGS, Av. Bento Goncalves 9500, Porto Alegre, RS (Brazil); Oelkers, Norman [Centre for Mathematical Physics, School of Physical Sciences, University of Queensland, Brisbane 4072 (Australia); Tonel, Arlei Prestes [Centro de Ciencias Exatas e Tecnologicas, Universidade Federal de Pelotas/UniPampa, Rua Carlos Barbosa, SN, Bage, RS (Brazil)

    2007-04-09

    We study a three-mode Hamiltonian modelling a heteronuclear molecular Bose-Einstein condensate. Two modes are associated with two distinguishable atomic constituents, which can combine to form a molecule represented by the third mode. Beginning with a semi-classical analogue of the model, we conduct an analysis to determine the phase space fixed points of the system. Bifurcations of the fixed points naturally separate the coupling parameter space into different regions. Two distinct scenarios are found, dependent on whether the imbalance between the number operators for the atomic modes is zero or non-zero. This result suggests the ground-state properties of the model exhibit an unusual sensitivity on the atomic imbalance. We then test this finding for the quantum mechanical model. Specifically we use Bethe ansatz methods, ground-state expectation values, the character of the quantum dynamics, and ground-state wavefunction overlaps to clarify the nature of the ground-state phases. The character of the transition is smoothed due to quantum fluctuations, but we may nonetheless identify the emergence of a quantum phase boundary in the limit of zero atomic imbalance.

  10. A hybrid formulation for the numerical simulation of condensed phase explosives

    Science.gov (United States)

    Michael, L.; Nikiforakis, N.

    2016-07-01

    In this article we present a new formulation and an associated numerical algorithm, for the simulation of combustion and transition to detonation of condensed-phase commercial- and military-grade explosives, which are confined by (or in general interacting with one or more) compliant inert materials. Examples include confined rate-stick problems and interaction of shock waves with gas cavities or solid particles in explosives. This formulation is based on an augmented Euler approach to account for the mixture of the explosive and its products, and a multi-phase diffuse interface approach to solve for the immiscible interaction between the mixture and the inert materials, so it is in essence a hybrid (augmented Euler and multi-phase) model. As such, it has many of the desirable features of the two approaches and, critically for our applications of interest, it provides the accurate recovery of temperature fields across all components. Moreover, it conveys a lot more physical information than augmented Euler, without the complexity of full multi-phase Baer-Nunziato-type models or the lack of robustness of augmented Euler models in the presence of more than two components. The model can sustain large density differences across material interfaces without the presence of spurious oscillations in velocity and pressure, and it can accommodate realistic equations of state and arbitrary (pressure- or temperature-based) reaction-rate laws. Under certain conditions, we show that the formulation reduces to well-known augmented Euler or multi-phase models, which have been extensively validated and used in practice. The full hybrid model and its reduced forms are validated against problems with exact (or independently-verified numerical) solutions and evaluated for robustness for rate-stick and shock-induced cavity collapse case-studies.

  11. Thermochemical evaluation and preparation of cesium uranates

    Energy Technology Data Exchange (ETDEWEB)

    Takano, Masahide; Minato, Kazuo; Fukuda, Kousaku [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment; Sato, Seichi; Ohashi, Hiroshi

    1997-03-01

    Two kinds of cesium uranates, Cs{sub 2}UO{sub 4} and Cs{sub 2}U{sub 2}O{sub 7}, which are predicted by thermochemical estimation to be formed in irradiated oxide fuels, were prepared from U{sub 3}O{sub 8} and Cs{sub 2}CO{sub 3} for measurements of the thermal expansions and thermal conductivities. In advance of the preparation, thermochemical calculations for the formation and decomposition of these cesium uranates were performed by Gibbs free energy minimizer. The preparation temperatures for Cs{sub 2}UO{sub 4} and Cs{sub 2}U{sub 2}O{sub 7} were determined from the results of the thermochemical calculations. The prepared samples were analyzed by X-ray diffraction, which showed that the single phases of Cs{sub 2}UO{sub 4} and Cs{sub 2}U{sub 2}O{sub 7} were formed. Thermogravimetry and differential thermal analysis were also performed on these samples, and the decomposition temperatures were evaluated. The experimental results were in good agreement with those of the thermochemical calculations. (author)

  12. Confinement Effect on Detonation Propagation in Condensed-Phase High Explosives

    Science.gov (United States)

    Chiquete, Carlos; Short, Mark; Meyer, Chad D.; Quirk, James J.

    2017-11-01

    In applications that embed condensed-phase high explosives (HEs) in engineering scale geometries, the confining material's density and impedance have a strong influence on the resulting speed and front shape of the detonation wave in the HE. This is due to the post-shock flow divergence induced by the inert material yielding to the intense reaction zone pressures. Here, we systematically investigate this confinement effect on multi-dimensional detonation propagation. Specifically, we use a simplified HE model and stylized 2D planar and axisymmetric geometries. A shock-attached formulation of the reactive Euler equations is adopted and the post-shock flow divergence is mimicked by enforcing a (linear) boundary streamline at a prescribed deflection angle. The steady-state propagation of the wave is examined as a function of this angle including its phase velocity, detonation front pressure and the reaction zone structure. We focus on the transition from subsonic or confined flow along the boundary to supersonic flow when the detonation propagation becomes insensitive to further increases in flow divergence.

  13. Thermochemical transformations of anthracene oil

    Energy Technology Data Exchange (ETDEWEB)

    Belkina, T.V.; Privalov, V.E.; Stepanenko, M.A.

    1979-01-01

    The basic technological step in electrode pitch production is the thermal processing of the original pitch, combined in some cases with air treatment. The thermal process of electrode pitch production is outstandingly simple and economical, but offers little scope for regulating the product quality. When the coal tar regulating the product quality has been highly pyrolyzed, it becomes difficult to produce a medium electrode pitch in conformity with GOST 10200-73 as regards its content of substances insoluble in quinoline (..cap alpha../sub 1/-fraction). It is particularly difficult to make ptich with a softening point of 85 to 90/sup 0/C from highly pyrolyzed coal tar, since this involves a prolonged treatment which increases the ..cap alpha../sub 1/-fraction content. These difficulties, associated with persistent consumer demand for higher electrode pitch quality, have greatly activated the search for new methods of making electrode pitch. A survey of the Soviet and foreign literature shows that the investigations now in progress relate both to methods of developing new production techniques and to methods of adjusting the initial feedstock composition by the addition of high-boiling coal-tar fractions, pitch distillates, highly aromatized petroleum refinery products and so on. As a result of experiments it was found that: (1) When anthracene oil is heated, its contents of condensation products (..cap alpha../sub 1/- and ..cap alpha..-fractions) increase quite slowly compared with pitch; consequently the electrode pitch production process is prolonged by mixing the two feedstock materials. (2) When the anthracene oil is heat treated first, condensation products form and accumulate in it and its thermochemical transformation activity is enhanced. (3) The use of heat-treated anthracene oil will clearly intensify the electrode pitch production process and raise the product quality.

  14. An atomic perspective of the photodissociation and geminate recombination of triiodide in condensed phases

    Energy Technology Data Exchange (ETDEWEB)

    Xian, Rui

    2016-11-15

    The thesis presents progress made towards a thorough understanding of the photodissociation and geminate recombination of triiodide anion (I{sub 3}{sup -}) in solution and solid state using novel time-resolved spectroscopic and structural methods that have matured in the past decade. An isolated I{sub 3}{sup -} has only three degrees of freedom, but in the condensed phase, the case of an open quantum system, its chemistry is transformed because other degrees of freedom from the surroundings (the bath) need to be fully taken into account. This system is a textbook example for understanding dissociation and recombination processes in condensed phases, but unresolved issues about the reaction pathways remain. To probe the issues, firstly, mid-UV pulse shaper-based closed-loop adaptive control as well as open-loop power and chirp control schemes were used in conjunction with single-color pump-probe detection of the yield of the photoproduct diiodide (I{sub 2}{sup -.}) to study the above reaction in ethanol solution. The experiments revealed a strong pump-chirp dependence of the I{sub 2}{sup -.}-yield (as much as 40% change). Subsequently, two possible mechanisms involving additional reaction channels were postulated in order to explain such effect. Secondly, pump-supercontinuum-probe spectroscopy and ultrafast electron diffraction were performed separately on solid state triiodide compound n-(C{sub 4}H{sub 9}){sub 4}NI{sub 3} (TBAT). This system was chosen to provide a well-defined lattice for the bath and to avail atomic resolution of the condensed phase reaction dynamics. In the optical experiment, coherent oscillations were observed within a probe delay of 1 ps that bear strong resemblance to the stretching modes of ground-state I{sub 3}{sup -} and I{sub 2}{sup -.} fragment, which makes it the first to reliably distinguish the two species in a single measurement. In addition, the spectroscopic signature of a novel intermediate, the tetraiodide anion (I{sub 4}{sup

  15. An atomic perspective of the photodissociation and geminate recombination of triiodide in condensed phases

    International Nuclear Information System (INIS)

    Xian, Rui

    2016-11-01

    The thesis presents progress made towards a thorough understanding of the photodissociation and geminate recombination of triiodide anion (I 3 - ) in solution and solid state using novel time-resolved spectroscopic and structural methods that have matured in the past decade. An isolated I 3 - has only three degrees of freedom, but in the condensed phase, the case of an open quantum system, its chemistry is transformed because other degrees of freedom from the surroundings (the bath) need to be fully taken into account. This system is a textbook example for understanding dissociation and recombination processes in condensed phases, but unresolved issues about the reaction pathways remain. To probe the issues, firstly, mid-UV pulse shaper-based closed-loop adaptive control as well as open-loop power and chirp control schemes were used in conjunction with single-color pump-probe detection of the yield of the photoproduct diiodide (I 2 -. ) to study the above reaction in ethanol solution. The experiments revealed a strong pump-chirp dependence of the I 2 -. -yield (as much as 40% change). Subsequently, two possible mechanisms involving additional reaction channels were postulated in order to explain such effect. Secondly, pump-supercontinuum-probe spectroscopy and ultrafast electron diffraction were performed separately on solid state triiodide compound n-(C 4 H 9 ) 4 NI 3 (TBAT). This system was chosen to provide a well-defined lattice for the bath and to avail atomic resolution of the condensed phase reaction dynamics. In the optical experiment, coherent oscillations were observed within a probe delay of 1 ps that bear strong resemblance to the stretching modes of ground-state I 3 - and I 2 -. fragment, which makes it the first to reliably distinguish the two species in a single measurement. In addition, the spectroscopic signature of a novel intermediate, the tetraiodide anion (I 4 -. ), was identified and its origin is attributed to intermolecular interaction of

  16. Closure of the condensed-phase organic-nitrate reaction unreviewed safety question at Hanford site

    International Nuclear Information System (INIS)

    COWLEY, W.L.

    1999-01-01

    A discovery Unreviewed Safety Question (USQ) was declared on the underground waste storage tanks at the Hanford Site in May 1996. The USQ was for condensed-phase organic-nitrate reactions (sometimes called organic complexant reactions) in the tanks. This paper outlines the steps taken to close the USQ, and resolve the related safety issue. Several processes were used at the Hanford Site to extract and/or process plutonium. These processes resulted in organic complexants (for chelating multivalent cations) and organic extraction solvents being sent to the underground waste storage tanks. This paper addresses the organic complexant hazard. The organic complexants are in waste matrices that include inert material, diluents, and potential oxidizers. In the presence of oxidizing material, the complexant salts can be made to react exothermically by heating to high temperatures or by applying an external ignition source of sufficient energy. The first organic complexant hazard assessments focused on determining whether a hulk runaway reaction could occur, similar to the 1957 accident at Kyshtm (a reprocessing plant in the former U.S.S.R.). Early analyses (1977 through 1994) examined organic-nitrate reaction onset temperatures and concluded that a bulk runaway reaction could not occur at the Hanford Site because tank temperatures were well below that necessary for bulk runaway. Therefore, it was believed that organic-nitrate reactions were adequately described in the then current Authorization Basis (AB). Subsequent studies examined a different accident scenario, propagation resulting from an external ignition source (e.g., lightning or welding slag) that initiates a combustion front that propagates through the organic waste. A USQ evaluation determined that localized high energy ignition sources were credible, and that point source ignition of organic complexant waste was not adequately addressed i n the then existing AB. Consequently, the USQ was declared on the

  17. Closure of the condensed-phase organic-nitrate reaction USQ at hanford

    Energy Technology Data Exchange (ETDEWEB)

    COWLEY, W.L.

    1999-06-24

    A discovery Unreviewed Safety Question (USQ) was declared on the underground waste storage tanks at the Hanford Site in May 1996. The USQ was for condensed-phase organic-nitrate reactions (sometimes called organic complexant reactions) in the tanks. This paper outlines the steps taken to close the USQ, and resolve the related safety issue. Several processes were used at the Hanford Site to extract and/or process plutonium. These processes resulted in organic complexants (for chelating multivalent cations) and organic extraction solvents being sent to the underground waste storage tanks. This paper addresses the organic complexant hazard. The organic complexants are in waste matrices that include inert material, diluents, and potential oxidizers. In the presence of oxidizing material, the complexant salts can be made to react exothermically by heating to high temperatures or by applying an external ignition source of sufficient energy. The first organic complexant hazard assessments focused on determining whether a hulk runaway reaction could occur, similar to the 1957 accident at Kyshtm (a reprocessing plant in the former U.S.S.R.). Early analyses (1977 through 1994) examined organic-nitrate reaction onset temperatures and concluded that a bulk runaway reaction could not occur at the Hanford Site because tank temperatures were well below that necessary for bulk runaway. Therefore, it was believed that organic-nitrate reactions were adequately described in the then current Authorization Basis (AB). Subsequent studies examined a different accident scenario, propagation resulting from an external ignition source (e.g., lightning or welding slag) that initiates a combustion front that propagates through the organic waste. A USQ evaluation determined that localized high energy ignition sources were credible, and that point source ignition of organic complexant waste was not adequately addressed i n the then existing AB. Consequently, the USQ was declared on the

  18. Ground-state phases of a mixture of spin-1 and spin-2 Bose-Einstein condensates

    Science.gov (United States)

    Irikura, Naoki; Eto, Yujiro; Hirano, Takuya; Saito, Hiroki

    2018-02-01

    We investigate the ground-state phases of a mixture of spin-1 and spin-2 Bose-Einstein condensates at zero magnetic field. In addition to the intraspin interactions, two spin-dependent interaction coefficients are introduced to describe the interspin interaction. We systematically explore the wide parameter space, and obtain phase diagrams containing a rich variety of phases. For example, there exists a phase in which the spin-1 and spin-2 vectors are tilted relative to each other breaking the axial symmetry.

  19. Progress toward chemcial accuracy in the computer simulation of condensed phase reactions

    Energy Technology Data Exchange (ETDEWEB)

    Bash, P.A.; Levine, D.; Hallstrom, P. [Argonne National Lab., IL (United States); Ho, L.L. [Yale Univ., New Haven, CT (United States). Dept. of Physics; Mackerell, A.D. Jr. [Univ. of Maryland, Baltimore, MD (United States). Dept. of Pharmaceutical Sciences

    1996-03-01

    A procedure is described for the generation of chemically accurate computer-simulation models to study chemical reactions in the condensed phase. The process involves (1) the use of a coupled semiempirical quantum and classical molecular mechanics method to represent solutes and solvent, respectively; (2) the optimization of semiempirical quantum mechanics (QM) parameters to produce a computationally efficient and chemically accurate QM model; (3) the calibration of a quantum/classical microsolvation model using ab initio quantum theory; and (4) the use of statistical mechanical principles and methods to simulate, on massively parallel computers, the thermodynamic properties of chemical reactions in aqueous solution. The utility of this process is demonstrated by the calculation of the enthalpy of reaction in vacuum and free energy change in aqueous solution for a proton transfer involving methanol, methoxide, imidazole, and imidazolium, which are functional groups involved with proton transfers in many biochemical systems. An optimized semiempirical QM model is produced, which results in the calculation of heats of formation of the above chemical species to within 1.0 kcal/mol of experimental values. The use of the calibrated QM and microsolvation QM/MM models for the simulation of a proton transfer in aqueous solution gives a calculated free energy that is within 1.0 kcal/mol (12.2 calculated vs. 12.8 experimental) of a value estimated from experimental pKa`s of the reacting species.

  20. Modeling reaction histories to study chemical pathways in condensed phase detonation

    International Nuclear Information System (INIS)

    Scott Stewart, D.; Hernández, Alberto; Lee, Kibaek

    2016-01-01

    The estimation of pressure and temperature histories, which are required to understand chemical pathways in condensed phase explosives during detonation, is discussed. We argue that estimates made from continuum models, calibrated by macroscopic experiments, are essential to inform modern, atomistic-based reactive chemistry simulations at detonation pressures and temperatures. We present easy to implement methods for general equation of state and arbitrarily complex chemical reaction schemes that can be used to compute reactive flow histories for the constant volume, the energy process, and the expansion process on the Rayleigh line of a steady Chapman-Jouguet detonation. A brief review of state-of-the-art of two-component reactive flow models is given that highlights the Ignition and Growth model of Lee and Tarver [Phys. Fluids 23, 2362 (1980)] and the Wide-Ranging Equation of State model of Wescott, Stewart, and Davis [J. Appl. Phys. 98, 053514 (2005)]. We discuss evidence from experiments and reactive molecular dynamic simulations that motivate models that have several components, instead of the two that have traditionally been used to describe the results of macroscopic detonation experiments. We present simplified examples of a formulation for a hypothetical explosive that uses simple (ideal) equation of state forms and detailed comparisons. Then, we estimate pathways computed from two-component models of real explosive materials that have been calibrated with macroscopic experiments.

  1. Initial decomposition of the condensed-phase β-HMX under shock waves: molecular dynamics simulations.

    Science.gov (United States)

    Ge, Ni-Na; Wei, Yong-Kai; Ji, Guang-Fu; Chen, Xiang-Rong; Zhao, Feng; Wei, Dong-Qing

    2012-11-26

    We have performed quantum-based multiscale simulations to study the initial chemical processes of condensed-phase octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) under shock wave loading. A self-consistent charge density-functional tight-binding (SCC-DFTB) method was employed. The results show that the initial decomposition of shocked HMX is triggered by the N-NO(2) bond breaking under the low velocity impact (8 km/s). As the shock velocity increases (11 km/s), the homolytic cleavage of the N-NO(2) bond is suppressed under high pressure, the C-H bond dissociation becomes the primary pathway for HMX decomposition in its early stages. It is accompanied by a five-membered ring formation and hydrogen transfer from the CH(2) group to the -NO(2) group. Our simulations suggest that the initial chemical processes of shocked HMX are dependent on the impact velocity, which gain new insights into the initial decomposition mechanism of HMX upon shock loading at the atomistic level, and have important implications for understanding and development of energetic materials.

  2. Modeling reaction histories to study chemical pathways in condensed phase detonation

    Science.gov (United States)

    Scott Stewart, D.; Hernández, Alberto; Lee, Kibaek

    2016-03-01

    The estimation of pressure and temperature histories, which are required to understand chemical pathways in condensed phase explosives during detonation, is discussed. We argue that estimates made from continuum models, calibrated by macroscopic experiments, are essential to inform modern, atomistic-based reactive chemistry simulations at detonation pressures and temperatures. We present easy to implement methods for general equation of state and arbitrarily complex chemical reaction schemes that can be used to compute reactive flow histories for the constant volume, the energy process, and the expansion process on the Rayleigh line of a steady Chapman-Jouguet detonation. A brief review of state-of-the-art of two-component reactive flow models is given that highlights the Ignition and Growth model of Lee and Tarver [Phys. Fluids 23, 2362 (1980)] and the Wide-Ranging Equation of State model of Wescott, Stewart, and Davis [J. Appl. Phys. 98, 053514 (2005)]. We discuss evidence from experiments and reactive molecular dynamic simulations that motivate models that have several components, instead of the two that have traditionally been used to describe the results of macroscopic detonation experiments. We present simplified examples of a formulation for a hypothetical explosive that uses simple (ideal) equation of state forms and detailed comparisons. Then, we estimate pathways computed from two-component models of real explosive materials that have been calibrated with macroscopic experiments.

  3. Ultrafast condensed-phase emission from energetic composites of teflon and nanoaluminum.

    Science.gov (United States)

    Conner, Rusty W; Dlott, Dana D

    2010-07-01

    Time and wavelength-resolved spectroscopy was used to monitor optical emission from picosecond flash-heated nanoenergetic materials consisting of 50 nm diameter Al/Al(2)O(3) core-shell nanoparticles in a matrix of Teflon(AF) oxidizer. The Al/Teflon was confined between optical windows to emphasize condensed-phase emission rather than emission from gas-phase reaction products. The Al/Teflon emission is compared to control samples of bare Al nanoparticles or nanoparticles in a nominally inert polybutadiene matrix (Al/PB). In all three materials just two types of emission were observed, a broadband (BB) emission peaked at 320 nm stretching out past 700 nm, and a narrowband (NB) emission with approximately 30 nm wide bands at 310 and 400 nm, coincident with the most intense Al atomic emission lines. The BB emission is attributed to a laser-generated Al plasma and the NB emission to excited-state Al atoms in a dense medium. Compared to Al/PB, the plasma in Al/Teflon emits with higher intensity and longer duration. The Al/Teflon excited-state NB emission was also more intense. The energy release characterizing ignition in Al/Teflon could be monitored via the increased emission intensity of the BB and NB species. We find the ignition process can be described with a global time constant of 100 ps, about twice the approximately 50 ps time constant for the initiation process seen in earlier work (Zamkov, M. A.; Conner, R. W.; Dlott, D. D., J. Phys. Chem. C 2007, 111, 10278), where infrared spectroscopy was used to monitor the disappearance of C-F stretch transitions.

  4. Analysis and comparison of biomass pyrolysis/gasification condensates: an interim report

    Energy Technology Data Exchange (ETDEWEB)

    Elliott, D.C.

    1985-09-01

    This report provides results of chemical and physical analysis of condensates from eleven biomass gasification and pyrolysis systems. The analyses were performed in order to provide more detailed data concerning these condensates for the different process research groups and to allow a determination of the differences in properties of the condensates as a function of reactor environment. The samples were representative of the various reactor configurations being researched within the Department of Energy, Biomass Thermochemical Conversion program. The condensates included tar phases, aqueous phases and, in some cases, both phases depending on the output of the particular reactor system. The analyses included gross compositional analysis (elemental analysis, ash, moisture), physical characterization (pour point, viscosity, density, heat of combustion, distillation), specific chemical analysis (gas chromatography/mass spectrometry, infrared spectrophotometry, proton and carbon-13 nuclear magnetic resonance spectrometry) and biological activity (Ames assay). The analytical data demonstrate the wide range of chemical composition of the organics recovered in the condensates and suggests a direct relationship between operating temperature and chemical composition of the condensates. A continuous pathway of thermal degradation of the tar components as a function of temperature is proposed. Variations in the chemical composition of the organic components in the tars are reflected in the physical properties of tars and phase stability in relation to water in the condensate. The biological activity appears to be limited to the tars produced at high temperatures as a result of formation of polycyclic aromatic hydrocarbons in high concentrations. 55 refs., 13 figs., 6 tabs.

  5. An order-by-disorder process in the cyclic phase of spin-2 condensate with a weak magnetic field

    International Nuclear Information System (INIS)

    Zheng, Gong-Ping; Xu, Lei-Kuan; Qin, Shuai-Feng; Jian, Wen-Tian; Liang, J.-Q.

    2013-01-01

    We present in this paper a model study on the “order-by-disorder” process in the cyclic phase of spin-2 condensate, which forms a family of incommensurable, spiral degenerate ground states. On the basis of the ordering mechanism of entropic splitting, it is demonstrated that the energy corrections resulting from quantum fluctuations of disorder lift the accidental degeneracy of the cyclic configurations and thus lead to an eventual spiral order called the cyclic order. The order-by-disorder phenomenon is then realized even if the magnetic field exists. Finally, we show that our theoretic observations can be verified experimentally by direct detection of the cyclic order in the 87 Rb condensate of a spin-2 manifold with a weak magnetic field. -- Highlights: •A model for the order-by-disorder process in the cyclic phase of spin-2 condensate is presented. •The second-order quantum fluctuations of the mean-field states are studied. •The energy corrections lift the accidental degeneracy of the cyclic configurations. •The order-by-disorder phenomenon is realized even if a magnetic field exists. •The theoretic observations can be verified experimentally for 87 Rb condensate

  6. Long-Life, Hydrophilic, Antimicrobial Coating for Condensing Heat Exchangers, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — Environmental control systems for manned exploration spacecraft and lunar/planetary bases will need a condensing heat exchanger (CHX) to control humidity in crew...

  7. The effect of the number of condensed phases modeled on aerosol behavior during an induced steam generator tube rupture sequence

    International Nuclear Information System (INIS)

    Bixler, N.E.; Schaperow, J.H.

    1998-06-01

    VICTORIA is a mechanistic computer code designed to analyze fission product behavior within a nuclear reactor coolant system (RCS) during a severe accident. It provides detailed predictions of the release of radioactive and nonradioactive materials from the reactor core and transport and deposition of these materials within the RCS. A recently completed independent peer review of VICTORIA, while confirming the overall adequacy of the code, recommended a number of modeling improvements. One of these recommendations, to model three rather than a single condensed phase, is the focus of the work reported here. The recommendation has been implemented as an option so that either a single or three condensed phases can be treated. Both options have been employed in the study of fission product behavior during an induced steam generator tube rupture sequence. Differences in deposition patterns and mechanisms predicted using these two options are discussed

  8. Tropospheric Multiphase Chemistry Modeling : Sensitivity Tests Concerning The Sulfate and Nitric Acid Production In The Condensed Phases

    Science.gov (United States)

    Deguillaume, L.; Leriche, M.; Chaumerliac, N.

    Tropospheric multiphase chemistry is still poorly understood, because the interactions between trace gases and the condensed phase are quit complex (Jacob, 2000). A multi- phase chemical box model have been developed with an explicit chemistry for both gas and aqueous phase in Leriche et al. (2000) and in Leriche et al. (2001), the multiphase box model has been coupled with quasi-spectral microphysics, based upon Berry and ReinhardtSs parameterisations (1974 a, b). In these studies, chemical multiphase pro- cesses occurring during one cloudy event observed during the European Cloud Ice Mountain Experiment (CIME) held in 1997 has been investigated . The comparison of the partitioning of chemical species among the gas and condensed phases of the cloud, from model results and from measurements, displays, when collision/coalescence pro- cesses are considered, an improvement in retrieving the partitioning of soluble species, especially for nitric acid. The partitioning of nitric acid depends on the total chemical production of nitric acid both in gas and condensed phases, which is more important when microphysical processes are taken into account due to an important production in rainwater, which is comparable to the production in cloud water. The nitric acid production is related to two precursors in aqueous phase: the pernitric acid and the sulfite ion. Pernitric acid, due to its equilibrium in gas phase and its high solubility, is always available both in cloud water and in rainwater via the mass transfer from gas phase. The sulfite ion comes from the mass transfer from gas phase of the sulfur dioxide in cloud water before rain formation. When rainwater appears, it is efficiently transferred in rainwater by collision/coalescence processes. This two facts lead to an enhancement in nitric acid production when microphysics is considered which leads to a best retrieval of measured nitric acid partitioning. In this review, sensitivity tests are presented. The effect of

  9. Performance of a passive emergency heat removal system of advanced reactors in two-phase flow and with high concentration of non-condensable

    International Nuclear Information System (INIS)

    Macedo, Luiz Alberto

    2008-01-01

    The research and the development of passive emergency cooling systems are necessary for the new generation of thermo-nuclear systems. Some basic information on the operation of these systems require the research of some relative processes to the natural circulation, mainly in conditions of two-phase flow involving processes of condensation in the presence of non-condensable gases, because many found situations are new. The experimental facility called Bancada de Circulacao Natural (BCN) was used for the realization of tests with diverse concentrations of non-condensable and power levels. The non-condensable gas present in the circuit decreases the rate of heat transfer for the secondary of the heat exchanger, determining low efficiency of the heat exchanger. High concentration of non-condensable in the vapor condensation, determines negative pressure, and cause the inversion of the flow in the circuit. The initial concentration of non-condensable and the geometry of the circuit, in the inlet of the heat exchanger, determines the establishment of transitory with two-phase flow. The BCN was performed with the computational code of Analysis of Accidents and Thermal-Hydraulics RELAP5/MOD 3.3 and, the calculated values had been compared with the experimental data, presenting good agreement for small non-condensable concentrations. The values calculated for high concentrations of non-condensable had been satisfactory after the circuit to have reached the temperature of saturation in the electric heater. (author)

  10. Dynamics of Phase Coherence Onset in Bose Condensates of Photons by Incoherent Phonon Emission

    Science.gov (United States)

    Snoke, D. W.; Girvin, S. M.

    2013-04-01

    Recent experiments with photons equilibrating inside a dye medium in a cavity have raised the question of whether Bose condensation can occur in a system with only incoherent interaction with phonons in a bath but without particle-particle interaction. Analytical calculations analogous to those done for a system with particle-particle interactions indicate that a system of bosons interacting only with incoherent phonons can indeed undergo Bose condensation and furthermore can exhibit spontaneous amplification of quantum coherence. We review the basic theory for these calculations.

  11. Water interactions with condensed organic phases: a combined experimental and theoretical study of molecular-level processes

    Science.gov (United States)

    Johansson, Sofia M.; Kong, Xiangrui; Thomson, Erik S.; Papagiannakopoulos, Panos; Pettersson, Jan B. C.; Lovrić, Josip; Toubin, Céline

    2016-04-01

    Water uptake on aerosol particles modifies their chemistry and microphysics with important implications for air quality and climate. A large fraction of the atmospheric aerosol consists of organic aerosol particles or inorganic particles with condensed organic components. Here, we combine laboratory studies using the environmental molecular beam (EMB) method1 with molecular dynamics (MD) simulations to characterize water interactions with organic surfaces in detail. The over-arching aim is to characterize the mechanisms that govern water uptake, in order to guide the development of physics-based models to be used in atmospheric modelling. The EMB method enables molecular level studies of interactions between gases and volatile surfaces at near ambient pressure,1 and the technique may provide information about collision dynamics, surface and bulk accommodation, desorption and diffusion kinetics. Molecular dynamics simulations provide complementary information about the collision dynamics and initial interactions between gas molecules and the condensed phase. Here, we focus on water interactions with condensed alcohol phases that serve as highly simplified proxies for systems in the environment. Gas-surface collisions are in general found to be highly inelastic and result in efficient surface accommodation of water molecules. As a consequence, surface accommodation of water can be safely assumed to be close to unity under typical ambient conditions. Bulk accommodation is inefficient on solid alcohol and the condensed materials appear to produce hydrophobic surface structures, with limited opportunities for adsorbed water to form hydrogen bonds with surface molecules. Accommodation is significantly more efficient on the dynamic liquid alcohol surfaces. The results for n-butanol (BuOH) are particularly intriguing where substantial changes in water accommodation taking place over a 10 K interval below and above the BuOH melting point.2 The governing mechanisms for the

  12. Thermochemical conversion of waste tyres-a review.

    Science.gov (United States)

    Labaki, Madona; Jeguirim, Mejdi

    2017-04-01

    A review of the energy recovery from waste tyres is presented and focuses on the three thermochemical processes used to valorise waste tyres: pyrolysis, gasification, and combustion/incineration. After recalling the chemical composition of tyres, the thermogravimetric behaviours of tyres or their components under different atmospheres are described. Different kinetic studies on the thermochemical processes are treated. Then, the three processes were investigated, with a particular attention given to the gasification, due to the information unavailability on this process. Pyrolysis is a thermochemical conversion to produce a hydrocarbon rich gas mixture, condensable liquids or tars, and a carbon-rich solid residue. Gasification is a form of pyrolysis, carried out at higher temperatures and under given atmosphere (air, steam, oxygen, carbon dioxide, etc.) in order to yield mainly low molecular weight gaseous products. Combustion is a process that needs a fuel and an oxidizer with an ignition system to produce heat and/or steam. The effects of various process parameters such as temperature, heating rate, residence time, catalyst addition, etc. on the energy efficiency and the products yields and characteristics are mainly reviewed. These thermochemical processes are considered to be the more attractive and practicable methods for recovering energy and material from waste tyres. For the future, they are the main promising issue to treat and valorise used tyres. However, efforts should be done in developing more efficient technical systems.

  13. Analysis and comparison of biomass pyrolysis/gasification condensates: Final report

    Energy Technology Data Exchange (ETDEWEB)

    Elliott, D.C.

    1986-06-01

    This report provides results of chemical and physical analysis of condensates from eleven biomass gasification and pyrolysis systems. The samples were representative of the various reactor configurations being researched within the Department of Energy, Biomass Thermochemical Conversion program. The condensates included tar phases and aqueous phases. The analyses included gross compositional analysis (elemental analysis, ash, moisture), physical characterization (pour point, viscosity, density, heat of combustion, distillation), specific chemical analysis (gas chromatography/mass spectrometry, infrared spectrophotometry, proton and carbon-13 nuclear magnetic resonance spectrometry) and biological activity (Ames assay and mouse skin tumorigenicity tests). These results are the first step of a longer term program to determine the properties, handling requirements, and utility of the condensates recovered from biomass gasification and pyrolysis. The analytical data demonstrates the wide range of chemical composition of the organics recovered in the condensates and suggests a direct relationship between operating temperature and chemical composition of the condensates. A continuous pathway of thermal degradation of the tar components as a function of temperature is proposed. Variations in the chemical composition of the organic components in the tars are reflected in the physical properties of tars and phase stability in relation to water in the condensate. The biological activity appears to be limited to the tars produced at high temperatures. 56 refs., 25 figs., 21 tabs.

  14. The effect of the condensed-phase environment on the vibrational frequency shift of a hydrogen molecule inside clathrate hydrates.

    Science.gov (United States)

    Powers, Anna; Scribano, Yohann; Lauvergnat, David; Mebe, Elsy; Benoit, David M; Bačić, Zlatko

    2018-04-14

    We report a theoretical study of the frequency shift (redshift) of the stretching fundamental transition of an H 2 molecule confined inside the small dodecahedral cage of the structure II clathrate hydrate and its dependence on the condensed-phase environment. In order to determine how much the hydrate water molecules beyond the confining small cage contribute to the vibrational frequency shift, quantum five-dimensional (5D) calculations of the coupled translation-rotation eigenstates are performed for H 2 in the v=0 and v=1 vibrational states inside spherical clathrate hydrate domains of increasing radius and a growing number of water molecules, ranging from 20 for the isolated small cage to over 1900. In these calculations, both H 2 and the water domains are treated as rigid. The 5D intermolecular potential energy surface (PES) of H 2 inside a hydrate domain is assumed to be pairwise additive. The H 2 -H 2 O pair interaction, represented by the 5D (rigid monomer) PES that depends on the vibrational state of H 2 , v=0 or v=1, is derived from the high-quality ab initio full-dimensional (9D) PES of the H 2 -H 2 O complex [P. Valiron et al., J. Chem. Phys. 129, 134306 (2008)]. The H 2 vibrational frequency shift calculated for the largest clathrate domain considered, which mimics the condensed-phase environment, is about 10% larger in magnitude than that obtained by taking into account only the small cage. The calculated splittings of the translational fundamental of H 2 change very little with the domain size, unlike the H 2 j = 1 rotational splittings that decrease significantly as the domain size increases. The changes in both the vibrational frequency shift and the j = 1 rotational splitting due to the condensed-phase effects arise predominantly from the H 2 O molecules in the first three complete hydration shells around H 2 .

  15. Vortex-induced phase slip dissipation in a torioidal Bose-Einstein condensate flowing through a barrier

    Energy Technology Data Exchange (ETDEWEB)

    Collins, Lee A [Los Alamos National Laboratory

    2009-01-01

    We study the phase slips superfluid dissipation mechanism with a BEC flowing through a repulsive barrier inside a torus. The barrier is adiabatically raised across the annulus while the condensate is flowing with a finite quantized angular momentum. We found that, at a critical height, a vortex reaches the barrier moving radially from the inner region to eventually circulate along the annulus. At a slightly higher barrier, an anti-vortex also enters into the annulus from the outward region. The vortex and anti-vortex decrease the total angular momentum by leaving behind their respective paths a 2{pi} phase slip. When they collide or orbit along the same loop, the condensate suffers a global 2{pi} phase slip and the total angular momentum decreases by one quantum. The analysis is based on numerical simulations of the dynamical Gross-Pitaevskii equation both in two- and three-dimensions, the latter with the experimental parameters of the torus trap recently created at the NIST institute.

  16. Quantum chemical approach for condensed-phase thermochemistry (V): Development of rigid-body type harmonic solvation model

    Science.gov (United States)

    Tarumi, Moto; Nakai, Hiromi

    2018-05-01

    This letter proposes an approximate treatment of the harmonic solvation model (HSM) assuming the solute to be a rigid body (RB-HSM). The HSM method can appropriately estimate the Gibbs free energy for condensed phases even where an ideal gas model used by standard quantum chemical programs fails. The RB-HSM method eliminates calculations for intra-molecular vibrations in order to reduce the computational costs. Numerical assessments indicated that the RB-HSM method can evaluate entropies and internal energies with the same accuracy as the HSM method but with lower calculation costs.

  17. Two-phase pressurized thermal shock investigations using a 3D two-fluid modeling of stratified flow with condensation

    International Nuclear Information System (INIS)

    Yao, W.; Coste, P.; Bestion, D.; Boucker, M.

    2003-01-01

    In this paper, a local 3D two-fluid model for a turbulent stratified flow with/without condensation, which can be used to predict two-phase pressurized thermal shock, is presented. A modified turbulent K- model is proposed with turbulence production induced by interfacial friction. A model of interfacial friction based on a interfacial sublayer concept and three interfacial heat transfer models, namely, a model based on the small eddies controlled surface renewal concept (HDM, Hughes and Duffey, 1991), a model based on the asymptotic behavior of the Eddy Viscosity (EVM), and a model based on the Interfacial Sublayer concept (ISM) are implemented into a preliminary version of the NEPTUNE code based on the 3D module of the CATHARE code. As a first step to apply the above models to predict the two-phase thermal shock, the models are evaluated by comparison of calculated profiles with several experiments: a turbulent air-water stratified flow without interfacial heat transfer; a turbulent steam-water stratified flow with condensation; turbulence induced by the impact of a water jet in a water pool. The prediction results agree well with the experimental data. In addition, the comparison of three interfacial heat transfer models shows that EVM and ISM gave better prediction results while HDM highly overestimated the interfacial heat transfers compared to the experimental data of a steam water stratified flow

  18. Thermal calculation for hydrocarbon vapor condensers by the Gloyer method. Its extrapolation to heat transfer calculation of two phase streams

    International Nuclear Information System (INIS)

    Grange, A.; Jamin, B.

    1974-01-01

    The report resumes the calculation basia given by Walter Gloyer in his different papers and adds certain improvements acquired by long experience in thermal calculation engineering. The following points, necessary for the calculations, are examined in detail: verification of the thermal balances; calculation of the average temperature difference between the vapour and liquid, taking into account the efficiency of the exchanger; pressure loss of the phase stream; calculation of the various thermal resistances; calculation of the exchange surface. The basis of calculation being thus defined, a numerical application of the cooler calculation for hydrocarbon vapour + liquid mixtures with partial condensation is treated and enables the general use of this method to be considered for transfer problems in two-phase streams [fr

  19. Interfacial Instability in Two-Phase Flow: Manipulating Coalescence and Condensation

    Data.gov (United States)

    National Aeronautics and Space Administration — Two-phase flow under microgravity conditions presents a number of technical challenges ( and ). Life support and habitation depend on systems that use two-phase flow...

  20. PRR11 regulates late-S to G2/M phase progression and induces premature chromatin condensation (PCC)

    International Nuclear Information System (INIS)

    Zhang, Chundong; Zhang, Ying; Li, Yi; Zhu, Huifang; Wang, Yitao; Cai, Wei; Zhu, Jiang; Ozaki, Toshinori; Bu, Youquan

    2015-01-01

    Recently, we have demonstrated that proline-rich protein 11 (PRR11) is a novel tumor-related gene product likely implicated in the regulation of cell cycle progression as well as lung cancer development. However, its precise role in cell cycle progression remains unclear. In the present study, we have further investigated the expression pattern and functional implication of PRR11 during cell cycle in detail in human lung carcinoma-derived H1299 cells. According to our immunofluorescence study, PRR11 was expressed largely in cytoplasm, the amount of PRR11 started to increase in the late S phase, and was retained until just before mitotic telophase. Consistent with those observations, siRNA-mediated knockdown of PRR11 caused a significant cell cycle arrest in the late S phase. Intriguingly, the treatment with dNTPs further augmented PRR11 silencing-mediated S phase arrest. Moreover, knockdown of PRR11 also resulted in a remarkable retardation of G2/M progression, and PRR11-knockdown cells subsequently underwent G2 phase cell cycle arrest accompanied by obvious mitotic defects such as multipolar spindles and multiple nuclei. In addition, forced expression of PRR11 promoted the premature Chromatin condensation (PCC), and then proliferation of PRR11-expressing cells was massively attenuated and induced apoptosis. Taken together, our current observations strongly suggest that PRR11, which is strictly regulated during cell cycle progression, plays a pivotal role in the regulation of accurate cell cycle progression through the late S phase to mitosis. - Highlights: • PRR11 started to increase in the late S phase and was retained until just before mitotic telophase. • PRR11-knockdown caused a significant cell cycle arrest in the late S phase and G2 phase. • The treatment with dNTPs further augmented PRR11 silencing-mediated S phase arrest. • PRR11-knockdown led to multipolar spindles and multiple nuclei. • Forced expression of PRR11 promoted the PCC and inhibited

  1. PRR11 regulates late-S to G2/M phase progression and induces premature chromatin condensation (PCC)

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Chundong; Zhang, Ying; Li, Yi; Zhu, Huifang; Wang, Yitao; Cai, Wei [Department of Biochemistry and Molecular Biology, Chongqing Medical University, Chongqing 400016 (China); Molecular Medicine and Cancer Research Center, Chongqing Medical University, Chongqing 400016 (China); Zhu, Jiang [Molecular Medicine and Cancer Research Center, Chongqing Medical University, Chongqing 400016 (China); Ozaki, Toshinori [Laboratory of DNA Damage Signaling, Chiba Cancer Center Research Institute, 666-2 Nitona, Chuohku, Chiba 260-8717 (Japan); Bu, Youquan, E-mail: buyqcn@aliyun.com [Department of Biochemistry and Molecular Biology, Chongqing Medical University, Chongqing 400016 (China); Molecular Medicine and Cancer Research Center, Chongqing Medical University, Chongqing 400016 (China)

    2015-03-13

    Recently, we have demonstrated that proline-rich protein 11 (PRR11) is a novel tumor-related gene product likely implicated in the regulation of cell cycle progression as well as lung cancer development. However, its precise role in cell cycle progression remains unclear. In the present study, we have further investigated the expression pattern and functional implication of PRR11 during cell cycle in detail in human lung carcinoma-derived H1299 cells. According to our immunofluorescence study, PRR11 was expressed largely in cytoplasm, the amount of PRR11 started to increase in the late S phase, and was retained until just before mitotic telophase. Consistent with those observations, siRNA-mediated knockdown of PRR11 caused a significant cell cycle arrest in the late S phase. Intriguingly, the treatment with dNTPs further augmented PRR11 silencing-mediated S phase arrest. Moreover, knockdown of PRR11 also resulted in a remarkable retardation of G2/M progression, and PRR11-knockdown cells subsequently underwent G2 phase cell cycle arrest accompanied by obvious mitotic defects such as multipolar spindles and multiple nuclei. In addition, forced expression of PRR11 promoted the premature Chromatin condensation (PCC), and then proliferation of PRR11-expressing cells was massively attenuated and induced apoptosis. Taken together, our current observations strongly suggest that PRR11, which is strictly regulated during cell cycle progression, plays a pivotal role in the regulation of accurate cell cycle progression through the late S phase to mitosis. - Highlights: • PRR11 started to increase in the late S phase and was retained until just before mitotic telophase. • PRR11-knockdown caused a significant cell cycle arrest in the late S phase and G2 phase. • The treatment with dNTPs further augmented PRR11 silencing-mediated S phase arrest. • PRR11-knockdown led to multipolar spindles and multiple nuclei. • Forced expression of PRR11 promoted the PCC and inhibited

  2. Bose-Einstein condensation and long-range phase coherence in the many-particle Schroedinger wave function

    International Nuclear Information System (INIS)

    Mayers, J.

    2001-01-01

    The properties of the many-particle Schroedinger wave function Ψ are examined in the presence of Bose-Einstein condensation (BEC). It is shown that it is possible to define, in terms of Ψ, a function ψ(r-vector vertical bar s-vector), which can be regarded as the single-particle wave function of an arbitrary particle for a fixed configuration s-vector of all other particles. It is shown that ψ(r-vector|s-vector) plays an analogous role to the field operator of standard field-theoretical treatments of superfluidity. It is shown that in the presence of a Bose-Einstein condensate fraction f, ψ(r-vector|s-vector) must be nonzero and phase coherent within at least a fraction f of the total volume of the N-particle system for essentially all s-vector. Examination of the form of variational many-particle wave functions shows that in liquid 4 He, ψ(r-vector|s-vector) extends throughout the spaces left between the hard cores of the other atoms at s-vector. By contrast, in the absence of BEC, ψ(r-vector|s-vector) in the ground state must be nonzero only over a localized region of space. It is shown that in order for long-range phase coherence in ψ(r-vector|s-vector) to be maintained in the presence of velocity fields, any circulation must be quantized over macroscopic length scales. Some numerical calculations of the properties and fluctuations of liquid helium are presented. These suggest that the approach outlined in this paper may have significant advantages for the numerical calculations of the properties of Bose-Einstein condensed systems. The properties of ψ(r-vector|s-vector) are used to show that there is no general connection between the static structure factor and the size of the Bose-Einstein condensate fraction in a Bose fluid. It is suggested that the observed connection in liquid 4 He is due to the creation of vacancies in the liquid structure, which are required so that ψ(r-vector vertical bar s-vector) can delocalize, in the presence of hard

  3. Population and phase dynamics of F=1 spinor condensates in an external magnetic field

    International Nuclear Information System (INIS)

    Romano, D.R.; Passos, E.J.V. de

    2004-01-01

    We show that the classical dynamics underlying the mean-field description of homogeneous mixtures of spinor F=1 Bose-Einstein condensates in an external magnetic field is integrable as a consequence of number conservation and axial symmetry in spin space. The population dynamics depends only on the quadratic term of the Zeeman energy and on the strength of the spin-dependent term of the atom-atom interaction. We determine the equilibrium populations as function of the ratio of these two quantities and the miscibility of the hyperfine components in the ground state spinors are thoroughly discussed. Outside the equilibrium, the populations are always a periodic function of time where the periodic motion can be a libration or a rotation. Our studies also indicate the absence of metastability

  4. Quantitative investigation of free radicals in bio-oil and their potential role in condensed-phase polymerization.

    Science.gov (United States)

    Kim, Kwang Ho; Bai, Xianglan; Cady, Sarah; Gable, Preston; Brown, Robert C

    2015-03-01

    We report on the quantitative analysis of free radicals in bio-oils produced from pyrolysis of cellulose, organosolv lignin, and corn stover by EPR spectroscopy. Also, we investigated their potential role in condensed-phase polymerization. Bio-oils produced from lignin and cellulose show clear evidence of homolytic cleavage reactions during pyrolysis that produce free radicals. The concentration of free radicals in lignin bio-oil was 7.5×10(20)  spin g(-1), which was 375 and 138 times higher than free-radical concentrations in bio-oil from cellulose and corn stover. Pyrolytic lignin had the highest concentration in free radicals, which could be a combination of carbon-centered (benzyl radicals) and oxygen-centered (phenoxy radicals) organic species because they are delocalized in a π system. Free-radical concentrations did not change during accelerated aging tests despite increases in molecular weight of bio-oils, suggesting that free radicals in condensed bio-oils are stable. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. Behavior of the antiferromagnetic phase transition near the fermion condensation quantum phase transition in YbRh{sub 2}Si{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Shaginyan, V.R., E-mail: vrshag@thd.pnpi.spb.r [Petersburg Nuclear Physics Institute, RAS, Gatchina 188300 (Russian Federation); Racah Institute of Physics, Hebrew University, Jerusalem 91904 (Israel); Amusia, M.Ya. [Racah Institute of Physics, Hebrew University, Jerusalem 91904 (Israel); Popov, K.G. [Komi Science Center, Ural Division, RAS, Syktyvkar 167982 (Russian Federation)

    2010-01-11

    Low-temperature specific-heat measurements on YbRh{sub 2}Si{sub 2} at the second order antiferromagnetic (AF) phase transition reveal a sharp peak at T{sub N}=72 mK. The corresponding critical exponent alpha turns out to be alpha=0.38, which differs significantly from that obtained within the framework of the fluctuation theory of second order phase transitions based on the scale invariance, where alphaapprox =0.1. We show that under the application of magnetic field the curve of the second order AF phase transitions passes into a curve of the first order ones at the tricritical point leading to a violation of the critical universality of the fluctuation theory. This change of the phase transition is generated by the fermion condensation quantum phase transition. Near the tricritical point the Landau theory of second order phase transitions is applicable and gives alphaapprox =1/2. We demonstrate that this value of alpha is in good agreement with the specific-heat measurements.

  6. Theoretical prediction of condensed phase heat of formation of nitramines, nitrate esters, nitroaliphatics and related energetic compounds.

    Science.gov (United States)

    Keshavarz, Mohammad Hossein

    2006-08-21

    An empirical approach is presented for calculation heats of formation of nitramines, nitrate esters, nitroaliphatics and related energetic compounds which contain at least one of the functional groups including N-NO(2), C-ONO(2) or nonaromatic C-NO(2). This approach is based on elemental composition and various structural and functional group parameters of C(a)H(b)N(c)O(d) energetic compounds. Heat of formation for 78 nitrocompounds including nitramines, nitrate esters, nitroaliphatics and the data obtained is compared with experimental data. Root mean square (rms) of deviation for 19 well known of mentioned energetic compounds are also compared with complex quantum mechanical computations which show 23.8 and 21.3 kJ/mol for new and quantum mechanical methods, respectively. Predicted condensed phase heats of formation for remainder 59 energetic molecules with complex molecular structures have a rms deviation from experiment of 42.3 kJ/mol.

  7. Theory of high-T sub c superconductivity based on the fermion-condensation quantum phase transition

    CERN Document Server

    Amusia, M Ya; Shaginyan, V R

    2001-01-01

    A theory of high temperature superconductivity based on the combination of the fermion-condensation quantum phase transition and the conventional theory of superconductivity is presented. This theory describes maximum values of the superconducting gap which can be as big as DELTA sub 1 approx 0.1 epsilon sub F , with epsilon sub F being the Fermi level. It is shown that the critical temperature 2T sub c approx = DELTA sub 1. If there exists the pseudogap above T sub c then 2T* approx = DELTA sub 1 , and T* is the temperature at which the pseudogap vanished. A discontinuity in the specific heat at T sub c is calculated. The transition from conventional superconductors to high-T sub c ones as a function of the doping level is investigated

  8. QM/MM based fitting of atomic polarizabilities for use in condensed-phase biomolecular simulation

    NARCIS (Netherlands)

    Vosmeer, C.R.; Rustenburg, A.S.; Rice, J.E.; Horn, H.W.; Swope, W.C.; Geerke, D.P.

    2012-01-01

    Accounting for electronic polarization effects in biomolecular simulation (by using a polarizable force field) can increase the accuracy of simulation results. However, the use of gas-phase estimates of atomic polarizabilities α

  9. Defect formation in fluoropolymer films at their condensation from a gas phase

    Science.gov (United States)

    Luchnikov, P. A.

    2018-01-01

    The questions of radiation defects, factors of influence of electronic high-frequency discharge plasma components on the molecular structure and properties of the fluoropolymer vacuum films synthesized on a substrate from a gas phase are considered. It is established that at sedimentation of fluoropolymer coverings from a gas phase in high-frequency discharge plasma in films there are radiation defects in molecular and supramolecular structure because of the influence of active plasma components which significantly influence their main properties.

  10. Morphology and phase behavior of ethanol nanodrops condensed on chemically patterned surfaces

    Science.gov (United States)

    Checco, Antonio; Ocko, Benjamin M.

    2008-06-01

    Equilibrium wetting of ethanol onto chemically patterned nanostripes has been investigated using environmental atomic force microscopy (AFM) in noncontact mode. The chemical patterns are composed of COOH-terminated “wetting” regions and CH3 -terminated “nonwetting” regions. A specially designed environmental AFM chamber allowed for accurate measurements of droplet height as a function of the temperature offset between the substrate and a macroscopic ethanol reservoir. At saturation, the height dependence scales with droplet width according to w1/2 , in excellent agreement with the augmented Young equation (AYE) modeled with dispersive, nonretarded surface potentials. At small under- and oversaturations, the AYE model accurately fits the data if an effective ΔT is used as a fitting parameter. There is a systematic difference between the measured ΔT and the values extracted from the fits to the data. In addition to static measurements, we present time-resolved measurements of the droplet height which enable the study of condensation-evaporation dynamics of nanometer-scale drops.

  11. The Impact of Condensed-Phase Viscosity on Multiphase Oxidation Kinetics Involving O3, NO3, and OH

    Science.gov (United States)

    Li, J.; Forrester, S. M.; Knopf, D. A.

    2017-12-01

    Organic aerosol (OA) particles are ubiquitous in the atmosphere and have a significant influence on air quality, human health, cloud formation processes and global climate. By now it is well-recognized that organic particulate species can be amorphous in nature, existing in liquid, semi-solid and solid (glassy) phase states. The phase state is modulated by particle composition and environmental conditions such as relative humidity and temperature. These modifications can influence particle viscosity and molecular diffusion and, therefore, impact the reactive uptake of gas-phase oxidants and radicals by the organic substrate. In this study, we determined the reactive uptake coefficients (γ) of O3 by canola oil, NO3 by levoglucosan (LEV) and a LEV/xylitol mixture, and OH by glucose/sulfuric acid mixtures and glucose/1,2,6-hexanetriol mixtures under dry conditions and for temperatures ranging from 293 K to 213 K. Uptake coefficients have been measured employing a chemical ionization mass spectrometer coupled to a temperature-controlled rotating-wall flow reactor. Glass transition temperatures (Tg) of applied substrates were estimated by the Gordon-Taylor equation. Phase states were qualitatively probed via poking experiment using a temperature-controlled cooling stage. Shattering of the substrates indicated the formation of a glassy state. Results show a significant impact of condensed phase state on reactive uptake kinetics whereby γ changed most profoundly around estimated Tg. For example, γ decreases from 6.5×10-4 to 1.9 ×10-5 for O3 uptake by canola oil and from 8.3×10-4 to 3.1×10-4 for NO3 uptake by the LEV/xylitol mixture, respectively. The decrease in γ will be discussed with regard to phase state, desorption lifetime, and Arrhenius temperature dependence of reaction rates. First results of OH uptakes at low temperatures are presented, together with a discussion of the relevant atmospheric implications.

  12. Communication: On the consistency of approximate quantum dynamics simulation methods for vibrational spectra in the condensed phase.

    Science.gov (United States)

    Rossi, Mariana; Liu, Hanchao; Paesani, Francesco; Bowman, Joel; Ceriotti, Michele

    2014-11-14

    Including quantum mechanical effects on the dynamics of nuclei in the condensed phase is challenging, because the complexity of exact methods grows exponentially with the number of quantum degrees of freedom. Efforts to circumvent these limitations can be traced down to two approaches: methods that treat a small subset of the degrees of freedom with rigorous quantum mechanics, considering the rest of the system as a static or classical environment, and methods that treat the whole system quantum mechanically, but using approximate dynamics. Here, we perform a systematic comparison between these two philosophies for the description of quantum effects in vibrational spectroscopy, taking the Embedded Local Monomer model and a mixed quantum-classical model as representatives of the first family of methods, and centroid molecular dynamics and thermostatted ring polymer molecular dynamics as examples of the latter. We use as benchmarks D2O doped with HOD and pure H2O at three distinct thermodynamic state points (ice Ih at 150 K, and the liquid at 300 K and 600 K), modeled with the simple q-TIP4P/F potential energy and dipole moment surfaces. With few exceptions the different techniques yield IR absorption frequencies that are consistent with one another within a few tens of cm(-1). Comparison with classical molecular dynamics demonstrates the importance of nuclear quantum effects up to the highest temperature, and a detailed discussion of the discrepancies between the various methods let us draw some (circumstantial) conclusions about the impact of the very different approximations that underlie them. Such cross validation between radically different approaches could indicate a way forward to further improve the state of the art in simulations of condensed-phase quantum dynamics.

  13. Condensed-phase biogenic-anthropogenic interactions with implications for cold cloud formation.

    Science.gov (United States)

    Charnawskas, Joseph C; Alpert, Peter A; Lambe, Andrew T; Berkemeier, Thomas; O'Brien, Rachel E; Massoli, Paola; Onasch, Timothy B; Shiraiwa, Manabu; Moffet, Ryan C; Gilles, Mary K; Davidovits, Paul; Worsnop, Douglas R; Knopf, Daniel A

    2017-08-24

    Anthropogenic and biogenic gas emissions contribute to the formation of secondary organic aerosol (SOA). When present, soot particles from fossil fuel combustion can acquire a coating of SOA. We investigate SOA-soot biogenic-anthropogenic interactions and their impact on ice nucleation in relation to the particles' organic phase state. SOA particles were generated from the OH oxidation of naphthalene, α-pinene, longifolene, or isoprene, with or without the presence of sulfate or soot particles. Corresponding particle glass transition (T g ) and full deliquescence relative humidity (FDRH) were estimated using a numerical diffusion model. Longifolene SOA particles are solid-like and all biogenic SOA sulfate mixtures exhibit a core-shell configuration (i.e. a sulfate-rich core coated with SOA). Biogenic SOA with or without sulfate formed ice at conditions expected for homogeneous ice nucleation, in agreement with respective T g and FDRH. α-pinene SOA coated soot particles nucleated ice above the homogeneous freezing temperature with soot acting as ice nuclei (IN). At lower temperatures the α-pinene SOA coating can be semisolid, inducing ice nucleation. Naphthalene SOA coated soot particles acted as ice nuclei above and below the homogeneous freezing limit, which can be explained by the presence of a highly viscous SOA phase. Our results suggest that biogenic SOA does not play a significant role in mixed-phase cloud formation and the presence of sulfate renders this even less likely. However, anthropogenic SOA may have an enhancing effect on cloud glaciation under mixed-phase and cirrus cloud conditions compared to biogenic SOA that dominate during pre-industrial times or in pristine areas.

  14. Molecular thermodynamics of metabolism: quantum thermochemical calculations for key metabolites.

    Science.gov (United States)

    Hadadi, N; Ataman, M; Hatzimanikatis, V; Panayiotou, C

    2015-04-28

    The present work is the first of a series of papers aiming at a coherent and unified development of the thermodynamics of metabolism and the rationalization of feasibility analysis of metabolic pathways. The focus in this part is on high-level quantum chemical calculations of the thermochemical quantities of relatively heavy metabolites such as amino acids/oligopeptides, nucleosides, saccharides and their derivatives in the ideal gas state. The results of this study will be combined with the corresponding hydration/solvation results in subsequent parts of this work in order to derive the desired thermochemical quantities in aqueous solutions. The above metabolites exist in a vast conformational/isomerization space including rotational conformers, tautomers or anomers exhibiting often multiple or cooperative intramolecular hydrogen bonding. We examine the challenges posed by these features for the reliable estimation of thermochemical quantities. We discuss conformer search, conformer distribution and averaging processes. We further consider neutral metabolites as well as protonated and deprotonated metabolites. In addition to the traditional presentation of gas-phase acidities, basicities and proton affinities, we also examine heats and free energies of ionic species. We obtain simple linear relations between the thermochemical quantities of ions and the formation quantities of their neutral counterparts. Furthermore, we compare our calculations with reliable experimental measurements and predictive calculations from the literature, when available. Finally, we discuss the next steps and perspectives for this work.

  15. Thermochemical plots using JCZS2i piece-wise curve fits.

    Energy Technology Data Exchange (ETDEWEB)

    Miller, David L.; Schoof, Justin C.; Hobbs, Michael L.

    2013-10-01

    This report presents plots of specific heat, enthalpy, entropy, and Gibbs free energy for 1439 species in the JCZS2i database. Included in this set of species are 496 condensed-phase species and 943 gas-phase species. The gas phase species contain 80 anions and 112 cations for a total of 192 ions. The JCZS2i database is used in conjunction with the TIGER thermochemical code to predict thermodynamic states from ambient conditions to high temperatures and pressures. Predictions from the TIGER code using the JCZS2i database can be used in shock physics codes where temperatures may be as high as 20,000 K and ions may be present. Such high temperatures were not considered in the original JCZS database, and extrapolations made for these temperatures were unrealistic. For example, specific heat would sometimes go negative at high temperatures which fails the definition of specific heat. The JCZS2i database is a new version of the JCZS database that is being created to address these inaccuracies. The purpose of the current report is to visualize the high temperature extrapolations to insure that the specific heat, enthalpy, entropy, and Gibbs free energy predictions are reasonable up to 20,000 K.

  16. Fluctuation phenomena near phase transitions in condensed phases. Annual technical progress report 1 October 1964--1 October 1965

    Energy Technology Data Exchange (ETDEWEB)

    Brumberger, H.

    1965-10-15

    This report summarizes construction, assembly and performance of instrumentation for small-angle X-ray scattering experiments on critically opalescent binary liquid mixtures and on the alpha-beta quartz transition. X-ray sample cells, X-ray camera and automation equipment, and temperature measurement techniques are described. The phase diagram of the nitrobenzene-n-heptane system is reported. Some very preliminary small-angle light-scattering data for the 2,6-dimethylpyridine- water system are shown. (Author)

  17. Method and apparatus for maintaining condensable constituents of a gas in a vapor phase during sample transport

    Science.gov (United States)

    Felix, Larry Gordon; Farthing, William Earl; Irvin, James Hodges; Snyder, Todd Robert

    2010-05-18

    A system for fluid transport at elevated temperatures having a conduit having a fluid inlet end and a fluid outlet end and at least one heating element disposed within the conduit providing direct heating of a fluid flowing through the conduit. The system is particularly suited for preventing condensable constituents of a high temperature fluid from condensing out of the fluid prior to analysis of the fluid. In addition, operation of the system so as to prevent the condensable constituents from condensing out of the fluid surprisingly does not alter the composition of the fluid.

  18. The Effects of a Macromolecular Charring Agent with Gas Phase and Condense Phase Synergistic Flame Retardant Capability on the Properties of PP/IFR Composites

    Science.gov (United States)

    Chen, Hongda; Wang, Jihui; Ding, Anxin; Han, Xia; Sun, Ziheng

    2018-01-01

    In order to improve the efficiency of intumescent flame retardants (IFRs), a novel macromolecular charring agent named poly(ethanediamine-1,3,5-triazine-p-4-amino-2,2,6,6-tetramethylpiperidine) (PETAT) with gas phase and condense phase synergistic flame-retardant capability was synthesized and subsequently dispersed into polypropylene (PP) in combination with ammonium polyphosphate (APP) via a melt blending method. The chemical structure of PETAT was investigated by Fourier transform infrared spectroscopy (FTIR), and 1H nuclear magnetic resonance (NMR) spectroscopy. Thermal properties of the PETAT and IFR systems were tested by thermogravimetric-derivative thermogravimetric analysis (TGA-DTG) and thermogravimetry–Fourier transform infrared spectroscopy (TG-FTIR). The mechanical properties, thermal stability, flame-retardant properties, water resistance, and structures of char residue in flame-retardant composites were characterized using tensile and flexural strength property tests, TGA, limiting oxygen index (LOI) values before and after soaking, underwritten laboratory-94 (UL-94) vertical burning test, cone calorimetric test (CCT), scanning electron microscopy with energy dispersive X-ray spectrometry (SEM-EDXS), and FTIR. The results indicated that PETAT was successfully synthesized, and when the ratio of APP to PETAT was 2:1 with 25 wt % loading, the novel IFR system could reduce the deterioration of tensile strength and enhance the flexural strength of composites. Meanwhile, the flame-retardant composite was able to pass the UL-94 V-0 rating with an LOI value of 30.3%, and the peak of heat release rate (PHRR), total heat release (THR), and material fire hazard values were considerably decreased compared with others. In addition, composites also exhibited excellent water resistance properties compared with traditional IFR composites. SEM-EDXS and FTIR analyses of the char residues, as well as TG-FTIR analyses of IFR were used to investigate the flame

  19. The Effects of a Macromolecular Charring Agent with Gas Phase and Condense Phase Synergistic Flame Retardant Capability on the Properties of PP/IFR Composites.

    Science.gov (United States)

    Chen, Hongda; Wang, Jihui; Ni, Aiqing; Ding, Anxin; Han, Xia; Sun, Ziheng

    2018-01-11

    In order to improve the efficiency of intumescent flame retardants (IFRs), a novel macromolecular charring agent named poly(ethanediamine-1,3,5-triazine-p-4-amino-2,2,6,6-tetramethylpiperidine) (PETAT) with gas phase and condense phase synergistic flame-retardant capability was synthesized and subsequently dispersed into polypropylene (PP) in combination with ammonium polyphosphate (APP) via a melt blending method. The chemical structure of PETAT was investigated by Fourier transform infrared spectroscopy (FTIR), and ¹H nuclear magnetic resonance (NMR) spectroscopy. Thermal properties of the PETAT and IFR systems were tested by thermogravimetric-derivative thermogravimetric analysis (TGA-DTG) and thermogravimetry-Fourier transform infrared spectroscopy (TG-FTIR). The mechanical properties, thermal stability, flame-retardant properties, water resistance, and structures of char residue in flame-retardant composites were characterized using tensile and flexural strength property tests, TGA, limiting oxygen index (LOI) values before and after soaking, underwritten laboratory-94 (UL-94) vertical burning test, cone calorimetric test (CCT), scanning electron microscopy with energy dispersive X-ray spectrometry (SEM-EDXS), and FTIR. The results indicated that PETAT was successfully synthesized, and when the ratio of APP to PETAT was 2:1 with 25 wt % loading, the novel IFR system could reduce the deterioration of tensile strength and enhance the flexural strength of composites. Meanwhile, the flame-retardant composite was able to pass the UL-94 V-0 rating with an LOI value of 30.3%, and the peak of heat release rate (PHRR), total heat release (THR), and material fire hazard values were considerably decreased compared with others. In addition, composites also exhibited excellent water resistance properties compared with traditional IFR composites. SEM-EDXS and FTIR analyses of the char residues, as well as TG-FTIR analyses of IFR were used to investigate the flame

  20. Stability and phase transition of localized modes in Bose–Einstein condensates with both two- and three-body interactions

    Energy Technology Data Exchange (ETDEWEB)

    Bai, Xiao-Dong; Ai, Qing; Zhang, Mei; Xiong, Jun, E-mail: junxiong@bnu.edu.cn; Yang, Guo-Jian; Deng, Fu-Guo

    2015-09-15

    We investigate the stability and phase transition of localized modes in Bose–Einstein Condensates (BECs) in an optical lattice with the discrete nonlinear Schrödinger model by considering both two- and three-body interactions. We find that there are three types of localized modes, bright discrete breather (DB), discrete kink (DK), and multi-breather (MUB). Moreover, both two- and three-body on-site repulsive interactions can stabilize DB, while on-site attractive three-body interactions destabilize it. There is a critical value for the three-body interaction with which both DK and MUB become the most stable ones. We give analytically the energy thresholds for the destabilization of localized states and find that they are unstable (stable) when the total energy of the system is higher (lower) than the thresholds. The stability and dynamics characters of DB and MUB are general for extended lattice systems. Our result is useful for the blocking, filtering, and transfer of the norm in nonlinear lattices for BECs with both two- and three-body interactions.

  1. Defining Condensed Phase Reactive Force Fields from ab Initio Molecular Dynamics Simulations: The Case of the Hydrated Excess Proton.

    Science.gov (United States)

    Knight, Chris; Maupin, C Mark; Izvekov, Sergei; Voth, Gregory A

    2010-10-12

    In this report, a general methodology is presented for the parametrization of a reactive force field using data from a condensed phase ab initio molecular dynamics (AIMD) simulation. This algorithm allows for the creation of an empirical reactive force field that accurately reproduces the underlying ab initio reactive surface while providing the ability to achieve long-time statistical sampling for large systems not possible with AIMD alone. In this work, a model for the hydrated excess proton is constructed where the hydronium cation and proton hopping portions of the model are statistically force-matched to the results of Car-Parrinello Molecular Dynamics (CPMD) simulations. The flexible nature of the algorithm also allows for the use of the more accurate classical simple point-charge flexible water (SPC/Fw) model to describe the water-water interactions while utilizing the ab initio data to create an overall multistate molecular dynamics (MS-MD) reactive model of the hydrated excess proton in water. The resulting empirical model for the system qualitatively reproduces thermodynamic and dynamic properties calculated from the ab initio simulation while being in good agreement with experimental results and previously developed multistate empirical valence bond (MS-EVB) models. The present methodology, therefore, bridges the AIMD technique with the MS-MD modeling of reactive events, while incorporating key strengths of both.

  2. Vortices and hysteresis in a rotating Bose-Einstein condensate with anharmonic confinement

    DEFF Research Database (Denmark)

    Jackson, A.D.; Kavoulakis, G.M.

    2004-01-01

    Vortices; Bose-Einstein condensation; phase diagrams; phase transformation Udgivelsesdato: 4 August......Vortices; Bose-Einstein condensation; phase diagrams; phase transformation Udgivelsesdato: 4 August...

  3. CFD Studies on Biomass Thermochemical Conversion

    Directory of Open Access Journals (Sweden)

    Lifeng Yan

    2008-06-01

    Full Text Available Thermochemical conversion of biomass offers an efficient and economically process to provide gaseous, liquid and solid fuels and prepare chemicals derived from biomass. Computational fluid dynamic (CFD modeling applications on biomass thermochemical processes help to optimize the design and operation of thermochemical reactors. Recent progression in numerical techniques and computing efficacy has advanced CFD as a widely used approach to provide efficient design solutions in industry. This paper introduces the fundamentals involved in developing a CFD solution. Mathematical equations governing the fluid flow, heat and mass transfer and chemical reactions in thermochemical systems are described and sub-models for individual processes are presented. It provides a review of various applications of CFD in the biomass thermochemical process field.

  4. Biomass Thermochemical Conversion Program: 1986 annual report

    Energy Technology Data Exchange (ETDEWEB)

    Schiefelbein, G.F.; Stevens, D.J.; Gerber, M.A.

    1987-01-01

    Wood and crop residues constitute a vast majority of the biomass feedstocks available for conversion, and thermochemical processes are well suited for conversion of these materials. Thermochemical conversion processes can generate a variety of products such as gasoline hydrocarbon fuels, natural gas substitutes, or heat energy for electric power generation. The US Department of Energy is sponsoring research on biomass conversion technologies through its Biomass Thermochemical Conversion Program. Pacific Northwest Laboratory has been designated the Technical Field Management Office for the Biomass Thermochemical Conversion Program with overall responsibility for the Program. This report briefly describes the Thermochemical Conversion Program structure and summarizes the activities and major accomplishments during fiscal year 1986. 88 refs., 31 figs., 5 tabs.

  5. Thermochemical functionalisation of graphenes with minimal framework damage.

    Science.gov (United States)

    Hu, Sheng; Laker, Zachary P L; Leese, Hannah S; Rubio, Noelia; De Marco, Martina; Au, Heather; Skilbeck, Mark S; Wilson, Neil R; Shaffer, Milo S P

    2017-09-01

    Graphene and graphene nanoplatelets can be functionalised via a gas-phase thermochemical method; the approach is versatile, readily scalable, and avoids the introduction of additional defects by exploiting existing sites. Direct TEM imaging confirmed covalent modification of single layer graphene, without damaging the connectivity of the lattice, as supported by Raman spectrometry and AFM nano-indentation measurements of mechanical stiffness. The grafting methodology can also be applied to commercially-available bulk graphene nanoplatelets, as illustrated by the preparation of anionic, cationic, and non-ionic derivatives. Successful bulk functionalisation is evidenced by TGA, Raman, and XPS, as well as in dramatic changes in aqueous dispersability. Thermochemical functionalisation thus provides a facile approach to modify both graphene monolayers, and a wide range of graphene-related nanocarbons, using variants of simple CVD equipment.

  6. Conceptual design of the test facility for the two-phase critical flow with non-condensable gas

    International Nuclear Information System (INIS)

    Chang, Seok Kyu; Chung, Chang Hwan

    2000-12-01

    The two-phase critical flow test with non-condensible gas is for the simulation of the critical flow phenomena which can be occurred during SB-LOCA on SMART reactor. The requirements of the critical flow test are 7∼20mm pipe break dia., 7∼12MPa stagnation pressure, 0∼60 deg C subcooling degree and 0∼0.5kg/s N2 gas flow rate. For the satisfaction of these requirements on the test facility, critical flow rates were calculated with various models. With the selected reference pressure vessel(1.3m 3 ), the conceptual design of the test facility was performed. The important components of the test facility are the pressure vessel which has main circulation line, the test section attached to the bottom of the pressure vessel, suppression tank, the N2 gas supply tanks for maintaining the system pressure and N2 gas flow rate at test section and the auxiliary N2 gas converting system. For the measurements of the critical flow rate, flowmeter and level gauge is installed at the upstream of the test section and the pressure vessel, respectively. The realtime pressure control system is installed at the entrance of the pressure vessel for maintaining the system pressure and the N2 gas flow regulating system is also installed at the upstream of the test section. The design of the control and monitoring system for the operation of the test facility and the DAS for acquiring the test data were also performed. The conceptual operating process of the test facility was determined

  7. Basic design of the test facility for the two-phase critical flow with non-condensable gas

    International Nuclear Information System (INIS)

    Chang, Seok Kyu; Kim, Chang Hwe; Chung, Chang Hwan

    2000-12-01

    The two-phase critical flow test with non-condensible gas is for the simulation of the critical flow phenomena which can be occurred during SB-LOCA on SMART reactor. The basic design of the test facility for the actual installation is performed from the basis of the previous conceptual design according to the test requirements. The 1.3m 3 pressure vessel has the circulation pipeline which contains pump(5m 3 /hr), main heater(150KW) and cooler for heating the working fluid to the test temperature within 6 hours. The N2 gas, water supply line are attached to the upper part and test section, flowmeter and various sensors are installed at the lower part of the pressure vessel. The suppression tank is for the storage and cooling of the discharged water. The N2 gas storage tank provides the system pressure to the pressure vessel during the test. The 0.7m 3 N2 gas injection tank supplies the required N2 gas to the entrance of the test section. Since these N2 supply systems require much amount of gas during short period, multistage valve systems and optimal control logics are needed and applied. For the filling of the N2 gas to the N2 storage tank, 5m 3 LN2 tank and related gas converting system were designed. The operating mode of the test facility can be classified to the starting, steady, main test and cooling modes and the proper monitoring and control logics are developed for each operating mode. The operation of the test facility is performed through the PLC and the acquisition of the test data is done with DAS

  8. Water Condensation

    DEFF Research Database (Denmark)

    Jensen, Kasper Risgaard; Fojan, Peter; Jensen, Rasmus Lund

    2014-01-01

    The condensation of water is a phenomenon occurring in multiple situations in everyday life, e.g., when fog is formed or when dew forms on the grass or on windows. This means that this phenomenon plays an important role within the different fields of science including meteorology, building physics......, and chemistry. In this review we address condensation models and simulations with the main focus on heterogeneous condensation of water. The condensation process is, at first, described from a thermodynamic viewpoint where the nucleation step is described by the classical nucleation theory. Further, we address...

  9. Multiple pollutant removal using the condensing heat exchanger: Phase 1 final report, November 1995--June 1997. Addendum 2: Task 3 topical report -- Long term wear test

    Energy Technology Data Exchange (ETDEWEB)

    Kudlac, G.A.

    1998-06-01

    Long-term operation of a condensing heat exchanger under typical coal-fired flue gas conditions was investigated in Phase 1, Task 3 of the Multiple Pollutant Removal Using the Condensing Heat Exchanger test program. The specific goal of this task was to determine the amount of wear, if any, on the Teflon{reg_sign}-covered heat transfer tubes in a condensing heat exchanger. A pilot-scale single-stage condensing heat exchanger (CHX{reg_sign}) was operated under typical coal-fired flue gas conditions on a continuous basis for a period of approximately 10 months. Operating conditions and particulate loadings for the test unit were monitored, Teflon{reg_sign} film thickness measurements were conducted, and surface replications (which duplicate the surface finish at the microscopic level) were taken at various times during the test. Data from the test indicate that virtually no decrease in Teflon{reg_sign} thickness was observed for the coating on the first two rows of heat exchanger tubes, even at high inlet particulate loadings (400 mg/dscm [0.35 lb/10{sup 6} Btu]). Evidence of wear was present only at the microscopic level, and even then was very minor in severity. Operation at high inlet particulate loadings resulted in accumulated ash deposits within the heat exchanger. Installation of a modified (higher flow rate) wash nozzle manifold substantially reduced subsequent deposit formation.

  10. Thermochemical investigations on uranyl phosphates and arsenates

    International Nuclear Information System (INIS)

    Barten, H.

    1986-01-01

    Results are described of a study of the thermochemical stability of anhydrous phosphates and arsenates. The results of phase studies deal with compound formation and characterization, coexisting phases and limiting physical or chemical properties. The uranyl phosphates evolve oxygen at higher temperatures and the arsenates lose arsenic oxide vapour. These phenomena give the possibility to describe their thermodynamic stabilities. Thus oxygen pressures of uranyl phosphates have been measured using a static, non-isothermal method. Having made available the pure anhydrous compounds in the course of this investigation, molar thermodynamic quantities have been measured as well. These include standard enthalpies of formation from solution calorimetry and high-temperature heat-capacity functions derived from enthalpy increments measured. Some attention is given to compounds with uranium in valencies lower than six which have been met during the investigation. An evaluation is made of the thermodynamics of the compounds studied, to result in tabulized high-temperature thermodynamic functions. Relative stabilities within the systems are discussed and comparisons of the uranyl phosphates and the arsenates are made. (Auth.)

  11. Biomass thermochemical conversion program. 1985 annual report

    Energy Technology Data Exchange (ETDEWEB)

    Schiefelbein, G.F.; Stevens, D.J.; Gerber, M.A.

    1986-01-01

    Wood and crop residues constitute a vast majority of the biomass feedstocks available for conversion, and thermochemical processes are well suited for conversion of these materials. The US Department of Energy (DOE) is sponsoring research on this conversion technology for renewable energy through its Biomass Thermochemical Conversion Program. The Program is part of DOE's Biofuels and Municipal Waste Technology Division, Office of Renewable Technologies. This report briefly describes the Thermochemical Conversion Program structure and summarizes the activities and major accomplishments during fiscal year 1985. 32 figs., 4 tabs.

  12. Biomass thermochemical conversion program: 1987 annual report

    Energy Technology Data Exchange (ETDEWEB)

    Schiefelbein, G.F.; Stevens, D.J.; Gerber, M.A.

    1988-01-01

    The objective of the Biomass Thermochemical Conversion Program is to generate a base of scientific data and conversion process information that will lead to establishment of cost-effective processes for conversion of biomass resources into clean fuels. To accomplish this objective, in fiscal year 1987 the Thermochemical Conversion Program sponsored research activities in the following four areas: Liquid Hydrocarbon Fuels Technology; Gasification Technology; Direct Combustion Technology; Program Support Activities. In this report an overview of the Thermochemical Conversion Program is presented. Specific research projects are then described. Major accomplishments for 1987 are summarized.

  13. Experimental investigation and thermochemical assessment of the system Cu-O

    International Nuclear Information System (INIS)

    Boudene, A.; Hack, K.; Mohammad, A.; Neuschuetz, D.; Zimmermann, E.

    1992-01-01

    Experimental investigations of the thermochemical properties of the phases in the system copper-oxygen by means of DTA/TG and EMF measurements are reported. The own results together with critically selected data from the literature are used for a complete assessment of the Gibbs-energies of all phases (based on the Standard-Element Reference State, SER). (orig.) [de

  14. Anomalous tunneling of collective excitations and effects of superflow in the polar phase of a spin-1 spinor Bose-Einstein condensate

    International Nuclear Information System (INIS)

    Watabe, Shohei; Ohashi, Yoji; Kato, Yusuke

    2011-01-01

    We investigate tunneling properties of collective modes in the polar phase of a spin-1 spinor Bose-Einstein condensate (BEC). This spinor BEC state has two kinds of gapless modes (i.e., Bogoliubov and spin-wave). Within the framework of mean-field theory at T=0, we show that these Goldstone modes exhibit perfect transmission in the low-energy limit. Their anomalous tunneling behavior still holds in the presence of superflow, except in the critical current state. In the critical current state, while the tunneling of Bogoliubov mode is accompanied by finite reflection, the spin wave still exhibits perfect transmission, unless the strengths of spin-dependent and spin-independent interactions take the same value. We discuss the relation between perfect transmission of a spin wave and underlying superfluidity through a comparison of wave functions of the spin wave and the condensate.

  15. Anomalous tunneling of collective excitations and effects of superflow in the polar phase of a spin-1 spinor Bose-Einstein condensate

    Energy Technology Data Exchange (ETDEWEB)

    Watabe, Shohei; Ohashi, Yoji [Department of Physics, Keio University, 3-14-1 Hiyoshi, Kohoku-ku, Yokohama 223-8522 (Japan); CREST (JST), 4-1-8 Honcho, Kawaguchi, Saitama 332-0012 (Japan); Kato, Yusuke [Department of Basic Science, University of Tokyo, Tokyo 153-8902 (Japan)

    2011-07-15

    We investigate tunneling properties of collective modes in the polar phase of a spin-1 spinor Bose-Einstein condensate (BEC). This spinor BEC state has two kinds of gapless modes (i.e., Bogoliubov and spin-wave). Within the framework of mean-field theory at T=0, we show that these Goldstone modes exhibit perfect transmission in the low-energy limit. Their anomalous tunneling behavior still holds in the presence of superflow, except in the critical current state. In the critical current state, while the tunneling of Bogoliubov mode is accompanied by finite reflection, the spin wave still exhibits perfect transmission, unless the strengths of spin-dependent and spin-independent interactions take the same value. We discuss the relation between perfect transmission of a spin wave and underlying superfluidity through a comparison of wave functions of the spin wave and the condensate.

  16. Steam condenser

    International Nuclear Information System (INIS)

    Masuda, Fujio

    1980-01-01

    Purpose: To enable safe steam condensation by providing steam condensation blades at the end of a pipe. Constitution: When high temperature high pressure steam flows into a vent pipe having an opening under water in a pool or an exhaust pipe or the like for a main steam eacape safety valve, non-condensable gas filled beforehand in the steam exhaust pipe is compressed, and discharged into the water in the pool. The non-condensable gas thus discharged from the steam exhaust pipe is introduced into the interior of the hollow steam condensing blades, is then suitably expanded, and thereafter exhausted from a number of exhaust holes into the water in the pool. In this manner, the non-condensable gas thus discharged is not directly introduced into the water in the pool, but is suitable expanded in the space of the steam condensing blades to suppress extreme over-compression and over-expansion of the gas so as to prevent unstable pressure vibration. (Yoshihara, H.)

  17. Thermochemical parameters of caffeine, theophylline, and xanthine

    Energy Technology Data Exchange (ETDEWEB)

    Ngo Tuan Cuong; Truong Ba Tai [Department of Chemistry, and Mathematical Modeling and Computational Science Center (LMCC), Katholieke Universiteit Leuven, B-3001 Leuven (Belgium); Vu Thi Thu Ha [Institute of Chemistry, Vietnam Academy of Science and Technology, Hanoi (Viet Nam); Minh Tho Nguyen, E-mail: minh.nguyen@chem.kuleuven.b [Department of Chemistry, and Mathematical Modeling and Computational Science Center (LMCC), Katholieke Universiteit Leuven, B-3001 Leuven (Belgium)

    2010-04-15

    Thermochemical parameters of caffeine 1, theophylline 2, xanthine 3, uracil, and imidazole derivatives are determined by quantum chemical calculations. Using the composite G3B3 method, the standard heat of formation of caffeine in the gaseous phase amounts to DELTA{sub f}H{sub g}{sup 0}(1)=-243+-8kJ.mol{sup -1}, which lends a support for the recent experimental value of -237.0 +- 2.5 kcal . mol{sup -1}. We also obtain DELTA{sub f}H{sub g}{sup 0}(2)=-232+-8kJ.mol{sup -1}andDELTA{sub f}H{sub g}{sup 0}(3)=-209+-8kJ.mol{sup -1}. The adiabatic ionization energies are IE{sub a}(1) = 7.9 eV, IE{sub a}(2) = 8.1 eV, and IE{sub a}(3) = 8.5 eV using B3LYP calculations. The enhanced ability of caffeine to eject electron, as compared to the parent compounds and cyclic components, is of interest with regard to its potential use as a corrosion inhibitor.

  18. Random-lattice models and simulation algorithms for the phase equilibria in two-dimensional condensed systems of particles with coupled internal and translational degrees of freedom

    DEFF Research Database (Denmark)

    Nielsen, Morten; Miao, Ling; Ipsen, John Hjorth

    1996-01-01

    In this work we concentrate on phase equilibria in two-dimensional condensed systems of particles where both translational and internal degrees of freedom are present and coupled through microscopic interactions, with a focus on the manner of the macroscopic coupling between the two types...... spin-spin interactions that may have spatial dependence. The fluctuating number of nearest neighbors and the possible spatial dependence of the spin-spin interactions couple microscopically the spin degrees of freedom to the translational degrees of freedom. The first model (I) is a random......-disorder singularity can be of first order throughout the phase diagram. It is found that this first-order singularity can be either coupled to or decoupled from the lattice-melting singularity, depending on the strength of the microscopic coupling. The calculated phase diagram and the associated thermodynamic...

  19. Design and performance of a mechanically pumped two-phase loop to support the evaporation-condensation experiments on the TZ1

    Directory of Open Access Journals (Sweden)

    Z.R. Wang

    2017-09-01

    Full Text Available The mechanically pumped two-phase loop (MPTL has the advantages of long distance heat transport, high heat density and good temperature control. On TZ1, the MPTL technology is adopted to support a series experiments of evaporation and condensation. The main objective is to provide accurate (±0.5 ℃ temperature control from −5 ℃ to 40 ℃ and remove 80 W heat from the experimental setup. In this paper, the requirements, system design, hardware and performance of the MPTL are introduced.

  20. Phase separation of a Lennard-Jones fluid interacting with a long, condensed polymer chain: implications for the nuclear body formation near chromosomes.

    Science.gov (United States)

    Oh, Inrok; Choi, Saehyun; Jung, YounJoon; Kim, Jun Soo

    2015-08-28

    Phase separation in a biological cell nucleus occurs in a heterogeneous environment filled with a high density of chromatins and thus it is inevitably influenced by interactions with chromatins. As a model system of nuclear body formation in a cell nucleus filled with chromatins, we simulate the phase separation of a low-density Lennard-Jones (LJ) fluid interacting with a long, condensed polymer chain. The influence of the density variation of LJ particles above and below the phase boundary and the role of attractive interactions between LJ particles and polymer segments are investigated at a fixed value of strong self-interaction between LJ particles. For a density of LJ particles above the phase boundary, phase separation occurs and a dense domain of LJ particles forms irrespective of interactions with the condensed polymer chain whereas its localization relative to the polymer chain is determined by the LJ-polymer attraction strength. Especially, in the case of moderately weak attractions, the domain forms separately from the polymer chain and subsequently associates with the polymer chain. When the density is below the phase boundary, however, the formation of a dense domain is possible only when the LJ-polymer attraction is strong enough, for which the domain grows in direct contact with the interacting polymer chain. In this work, different growth behaviors of LJ particles result from the differences in the density of LJ particles and in the LJ-polymer interaction, and this work suggests that the distinct formation of activity-dependent and activity-independent nuclear bodies (NBs) in a cell nucleus may originate from the differences in the concentrations of body-specific NB components and in their interaction with chromatins.

  1. Pion condensation and neutron star dynamics

    International Nuclear Information System (INIS)

    Kaempfer, B.

    1983-01-01

    The question of formation of pion condensate via a phase transition in nuclear matter, especially in the core of neutron stars is reviewed. The possible mechanisms and the theoretical restrictions of pion condensation are summarized. The effects of ultradense equation of state and density jumps on the possible condensation phase transition are investigated. The possibilities of observation of condensation process are described. (D.Gy.)

  2. Condensed matter physics

    International Nuclear Information System (INIS)

    Anon.

    1985-01-01

    The condensed matter physics research in the Physics Department of Risoe National Laboratory is predominantly experimental utilising diffraction of neutrons and x-rays. The research topics range from studies of structure, excitations and phase transitions in model systems to studies of ion transport, texture and recrystallization kinetics with a more applied nature. (author)

  3. Supersymmetry is afraid of condensates

    Directory of Open Access Journals (Sweden)

    G. Domokos

    1983-01-01

    Full Text Available Supersymmetry is never broken by pair condensates of chiral superfields: the supersymmetry breaking part of Green's functions satisfies an equation which always has an identically vanishing solution. Hence any phase containing pair condensates is unstable due to its positive vacuum energy.

  4. Combustion of thermochemically torrefied sugar cane bagasse.

    Science.gov (United States)

    Valix, M; Katyal, S; Cheung, W H

    2017-01-01

    This study compared the upgrading of sugar bagasse by thermochemical and dry torrefaction methods and their corresponding combustion behavior relative to raw bagasse. The combustion reactivities were examined by non-isothermal thermogravimetric analysis. Thermochemical torrefaction was carried out by chemical pre-treatment of bagasse with acid followed by heating at 160-300°C in nitrogen environment, while dry torrefaction followed the same heating treatment without the chemical pretreatment. The results showed thermochemical torrefaction generated chars with combustion properties that are closer to various ranks of coal, thus making it more suitable for co-firing applications. Thermochemical torrefaction also induced greater densification of bagasse with a 335% rise in bulk density to 340kg/m 3 , increased HHV mass and HHV volume , greater charring and aromatization and storage stability. These features demonstrate the potential of thermochemical torrefaction in addressing the practical challenges in using biomass such as bagasse as fuel. Copyright © 2016 Elsevier Ltd. All rights reserved.

  5. Condensed matter physics

    CERN Document Server

    Marder, Michael P

    2010-01-01

    This Second Edition presents an updated review of the whole field of condensed matter physics. It consolidates new and classic topics from disparate sources, teaching not only about the effective masses of electrons in semiconductor crystals and band theory, but also about quasicrystals, dynamics of phase separation, why rubber is more floppy than steel, granular materials, quantum dots, Berry phases, the quantum Hall effect, and Luttinger liquids.

  6. Pressure-induced metallization of condensed phase β-HMX under shock loadings via molecular dynamics simulations in conjunction with multi-scale shock technique.

    Science.gov (United States)

    Ge, Ni-Na; Wei, Yong-Kai; Zhao, Feng; Chen, Xiang-Rong; Ji, Guang-Fu

    2014-07-01

    The electronic structure and initial decomposition in high explosive HMX under conditions of shock loading are examined. The simulation is performed using quantum molecular dynamics in conjunction with multi-scale shock technique (MSST). A self-consistent charge density-functional tight-binding (SCC-DFTB) method is adapted. The results show that the N-N-C angle has a drastic change under shock wave compression along lattice vector b at shock velocity 11 km/s, which is the main reason that leads to an insulator-to-metal transition for the HMX system. The metallization pressure (about 130 GPa) of condensed-phase HMX is predicted firstly. We also detect the formation of several key products of condensed-phase HMX decomposition, such as NO2, NO, N2, N2O, H2O, CO, and CO2, and all of them have been observed in previous experimental studies. Moreover, the initial decomposition products include H2 due to the C-H bond breaking as a primary reaction pathway at extreme condition, which presents a new insight into the initial decomposition mechanism of HMX under shock loading at the atomistic level.

  7. The influence of N-7 guanine modifications on the strength of Watson-Crick base pairing and guanine N-1 acidity: Comparison of gas-phase and condensed-phase trends

    Czech Academy of Sciences Publication Activity Database

    Burda, J. V.; Šponer, Jiří; Hrabáková, J.; Zeizinger, M.; Leszczynski, J.

    2003-01-01

    Roč. 107, č. 22 (2003), s. 5349-5356 ISSN 1520-6106 R&D Projects: GA MŠk ME 517; GA MŠk LN00A016 Grant - others:Wellcome Trust(GB) GR067507MF; ONR(US) N00034-03-1-0116; National Science Foundation(US) CREST 9805465 Institutional research plan: CEZ:AV0Z5004920 Keywords : Watson -Crick base pairing * guanines * gas-phase and condensed-phase trends Subject RIV: BO - Biophysics Impact factor: 3.679, year: 2003

  8. Simple phenomenological model for phase transitions in confined geometry. 2. Capillary condensation/evaporation in cylindrical mesopores.

    Science.gov (United States)

    Pellenq, Roland J-M; Coasne, Benoit; Denoyel, Renaud O; Coussy, O

    2009-02-03

    A simple phenomenological model that describes capillary condensation and evaporation of pure fluids confined in cylindrical mesopores is presented. Following the work of Celestini (Celestini, F. Phys. Lett. A 1997, 228, 84), the free energy density of the system is derived using interfacial tensions and a corrective term that accounts for the interaction coupling between the vapor/adsorbed liquid and the adsorbed liquid/adsorbent interfaces. This corrective term is shown to be consistent with the Gibbs adsorption isotherm and assessed by standard adsorption tests. This model reveals that capillary condensation and evaporation are metastable and equilibrium processes, respectively, hence exhibiting the existence of a hysteresis loop inadsorption/desorption isotherm that is well-known in experiment. We extend the phenomenological model of Celestini to give a quantitative description of adsorption on the pore wall and hysteresis width evolution with temperature and confinement. Direct quantitative comparison is made with experimental data for confined argon. Used as a characterizing tool, this integrated model allows in a single fit of an experimental adsorption/desorption isotherm assessing essential characterization data such as the specific surface area, pore volume, and mean pore size.

  9. Multiple pollutant removal using the condensing heat exchanger: Phase 1 final report, November 1995--May 1997. Addendum 1: Task 2 topical report -- Pollutant removal tests

    Energy Technology Data Exchange (ETDEWEB)

    Bailey, R.T.; Jankura, B.J.

    1998-06-01

    Integrated Flue Gas Treatment (IFGT) uses two Condensing Heat Exchangers (CHXs{reg_sign}) in series to recover waste heat from the flue gas and remove a variety of pollutants from the flue gas. The Teflon{reg_sign}-covered internals of the condensing heat exchanger permit heat recovery at temperatures below the acid dew-point of the flue gas. The pollutant removal characteristics of the IFGT system were measured over a wide range of operating conditions in a pilot Integrated Flue Gas Treatment System rated at 1.2 MW{sub t} (4 million Btu/hr) using a wide range of coals. The coals tested included a high-sulfur coal, a medium-sulfur coal and a low-sulfur coal. The flue gas pollutants investigated included ammonia, hydrogen chloride, hydrogen fluoride, particulate, sulfur dioxide, gas phase and particle phase mercury and gas phase and particle phase trace elements. The particulate removal efficiency and size distribution was also investigated. Soda ash, lime and magnesium-lime scrubbing reagents were investigated. The test results show that the IFGT system can remove greater than 95% removal of acid gases with a liquid-to-gas ratio less than 1.34 l/m{sup 3} (10 gal/1,000 ft{sup 3}), and that lime reagents show promise as a substitute for soda ash. Particulate and ammonia gas removal was also very high. Ionic mercury removal averaged 80%, while elemental mercury removal was very low. Trace metals were found to be concentrated in the fine particulate with removal efficiencies in the range of 50% to 80%. The data measured in this task provides the basis for predictions of the performance of an IFGT system for both utility and industrial applications.

  10. Bibliographic Review about Solar Hydrogen Production Through Thermochemical Cycles

    International Nuclear Information System (INIS)

    Fernandez Saavedra, R.

    2007-01-01

    This report presents a summary of the different thermical processes used to obtain hydrogen through solar energy, paying more attention to the production of hydrogen from water through thermochemical cycles. In this aspect, it is briefly described the most interesting thermochemical cycles, focusing on thermochemical cycles based on oxides. (Author) 25 refs

  11. Extension of a reactive distillation process design methodology: application to the hydrogen production through the Iodine-Sulfur thermochemical cycle; Generalisation d'une approche de conception de procedes de distillation reactive: application a la production d'hydrogene par le cycle thermochimique I-S

    Energy Technology Data Exchange (ETDEWEB)

    Belaissaoui, B

    2006-02-15

    Reactive distillation is a promising way to improve classical processes. This interest has been comforted by numerous successful applications involving reactive systems in liquid phase but never in vapour phase. In this context, general design tools have been developed for the analysis of reactive distillation processes whatever the reactive phase. A general model for open condensation and evaporation of vapour or liquid reactive systems in chemical equilibrium has been written and applied to extend the feasibility analysis, synthesis and design methods of the sequential design methodology of R. Thery (2002). The extended design methodology is applied to the industrial production of hydrogen through the iodine-sulphur thermochemical cycle by vapour phase reactive distillation. A column configuration is proposed with better performance formerly published configuration. (author)

  12. 2009 Thermochemical Conversion Platform Review Report

    Energy Technology Data Exchange (ETDEWEB)

    Ferrell, John [Office of Energy Efficiency and Renewable Energy (EERE), Washington, DC (United States)

    2009-12-01

    This document summarizes the recommendations and evaluations provided by an independent external panel of experts at the U.S. Department of Energy Biomass Program’s Thermochemical Conversion platform review meeting, held on April 14-16, 2009, at the Sheraton Denver Downtown, Denver, Colorado.

  13. Biomass for thermochemical conversion: targets and challenges

    Directory of Open Access Journals (Sweden)

    Paul eTanger

    2013-07-01

    Full Text Available Bioenergy will be one component of a suite of alternatives to fossil fuels. Effective conversion of biomass to energy will require the careful pairing of advanced conversion technologies with biomass feedstocks optimized for the purpose. Lignocellulosic biomass can be converted to useful energy products via two distinct pathways: enzymatic or thermochemical conversion. The thermochemical pathways are reviewed and potential biotechnology or breeding targets to improve feedstocks for pyrolysis, gasification, and combustion are identified. Biomass traits influencing the effectiveness of the thermochemical process (cell wall composition, mineral and moisture content differ from those important for enzymatic conversion and so properties are discussed in the language of biologists (biochemical analysis as well as that of engineers (proximate and ultimate analysis. We discuss the genetic control, potential environmental influence, and consequences of modification of these traits. Improving feedstocks for thermochemical conversion can be accomplished by the optimization of lignin levels, and the reduction of ash and moisture content. We suggest that ultimate analysis and associated properties such as H:C, O:C, and heating value might be more amenable than traditional biochemical analysis to the high-throughput necessary for the phenotyping of large plant populations. Expanding our knowledge of these biomass traits will play a critical role in the utilization of biomass for energy production globally, and add to our understanding of how plants tailor their composition with their environment.

  14. Thermochemical heat storage - system design issues

    NARCIS (Netherlands)

    Jong, A.J. de; Trausel, F.; Finck, C.J.; Vliet, L.D. van; Cuypers, R.

    2014-01-01

    Thermochemical materials (TCMs) are a promising solution for seasonal heat storage, providing the possibility to store excess solar energy from the warm season for later use during the cold season, and with that all year long sustainable energy. With our fixed bed, vacuum reactors using zeolite as

  15. Biomass for thermochemical conversion: targets and challenges.

    Science.gov (United States)

    Tanger, Paul; Field, John L; Jahn, Courtney E; Defoort, Morgan W; Leach, Jan E

    2013-01-01

    Bioenergy will be one component of a suite of alternatives to fossil fuels. Effective conversion of biomass to energy will require the careful pairing of advanced conversion technologies with biomass feedstocks optimized for the purpose. Lignocellulosic biomass can be converted to useful energy products via two distinct pathways: enzymatic or thermochemical conversion. The thermochemical pathways are reviewed and potential biotechnology or breeding targets to improve feedstocks for pyrolysis, gasification, and combustion are identified. Biomass traits influencing the effectiveness of the thermochemical process (cell wall composition, mineral and moisture content) differ from those important for enzymatic conversion and so properties are discussed in the language of biologists (biochemical analysis) as well as that of engineers (proximate and ultimate analysis). We discuss the genetic control, potential environmental influence, and consequences of modification of these traits. Improving feedstocks for thermochemical conversion can be accomplished by the optimization of lignin levels, and the reduction of ash and moisture content. We suggest that ultimate analysis and associated properties such as H:C, O:C, and heating value might be more amenable than traditional biochemical analysis to the high-throughput necessary for the phenotyping of large plant populations. Expanding our knowledge of these biomass traits will play a critical role in the utilization of biomass for energy production globally, and add to our understanding of how plants tailor their composition with their environment.

  16. Emergency condensator

    International Nuclear Information System (INIS)

    Hamazaki, Ryoichi.

    1992-01-01

    The condensator of the present invention has a condensate return pipe for returning condensates formed by concentration of steams in a bundle of heat transfer tubes. A flow rate control valve is disposed to the return pipe, and the opening degree of the control valve is controlled by a valve opening degree control device which receives a reactor pressure signal under control. The valve opening degree control device outputs a control signal of 0% valve opening degree when reactor pressure is lower than the lowermost control value and outputs control signal of 100% value opening degree if it is greater than the uppermost control value. On the other hand, when it is between the lowermost value and the uppermost value, it outputs a control signal for demanding an opening degree in proportion to the difference between the reactor pressure and the lowermost control value. Since it is thus controlled, even if steams and condensaes are circulated as they are by natural convection, there is no worry that reactor pressure lowers excessively and no operator's manual handling is necessary. (T.M.)

  17. Time-resolved study of electron-hole plasmas near the liquid-gas critical point in Si: Evidence for a second condensed phase

    Science.gov (United States)

    Smith, L. M.; Wolfe, J. P.

    1995-03-01

    remarkably independent of temperature and particle density, providing evidence for a second condensed phase of electron-hole plasma. The condensed liquid has a density of about one-tenth that of the ground-state electron-hole liquid and is observed both above and below the EHL critical temperature. An excitonic phase diagram for silicon is described which includes two condensed plasmas. A triple point at 18.5 K is observed where the electron-hole liquid coexists with the lower-density condensed plasma (CP) and excitonic gas. Above this temperature the CP is observed at all temperatures up to a second critical point at 45+/-5 K. We also consider the hypothesis that the extra luminescence attributed to the CP is instead due to large excitonic complexes. Using the recently determined binding energies of large excitonic complexes and the measured gas volume, we conclude that the density of these species is too small to account for the observed luminescence.

  18. Wave propagation in a condensed medium with N transforming phases: application to solid-I--solid-II-liquid bismuth

    International Nuclear Information System (INIS)

    Hayes, D.B.

    1975-01-01

    Constitutive assumptions of local thermal and pressure equilibrium in a mixture of N transforming phases allow construction of a constitutive equation of a generalized Maxwellian form suitable for studying the kinetics of phase transformations induced by shock-wave loading. This equation relates the pressure rate to the strain rate and the phase change rate, the latter being expressed as the time derivative of a vector which has components equal to the mass fractions of the constituent phases. A separate kinetic equation is required for evolution of this composition vector. Coefficients appearing in the constitutive equation depend only on properties that the mixture displays with a frozen composition which in turn depend directly on properties of the pure-phase components of the mixture. The constitutive equation is applied to solid-I--solid-II--liquid bismuth (N = 3). When wave propagation calculations on bismuth are compared with previous theory and experiments, a lower bound on the melting rate of 4 μsec -1 is found

  19. Refrigeration. Heat Transfer. Part I: Evaporators and Condensers

    DEFF Research Database (Denmark)

    Knudsen, Hans-Jørgen Høgaard

    2002-01-01

    The note gives an introduction to heat transfer with phase shift. Pool Boiling, Flow Boiling, Condensation.......The note gives an introduction to heat transfer with phase shift. Pool Boiling, Flow Boiling, Condensation....

  20. Transport diphasique de gaz et de condensat. Aspects techniques et économiques Technical and Economic Aspects of Two-Phase Pipelining of Gas and Condensate

    Directory of Open Access Journals (Sweden)

    Bourgeois T.

    2006-11-01

    Full Text Available L'évacuation diphasique de la production d'un gisement de gaz à condensat présente des avantages importants, en particulier sur le plan économique. Les caractéristiques des écoulements diphasiques sont exposées, avec les conséquences principales sur la définition d'un schéma d'exploitation. Une comparaison économique est ensuite présentée, pour illustrer la réduction des investissements qui peut être apportée par l'évacuation diphasique de la production. Enfin, les recherches françaises sur les écoulements diphasiques dans les conduites pétrolières sont brièvement décrites, ainsi qu'un exemple de calcul sur une conduite de gaz à condensat en exploitation diphasique. The two-phase pipelining of a wet gas field production presents many advantages, especially from an economic point of view. The characteristics of two-phase flow are described, together with their main consequences on the operational scheme. Then an economic comparison is made to illustrate the reduction in investment costs that can by achieved with two-phase pipelining. Research in France on two-phase flow in gas and condensate pipelines is briefly described, and an example is given of the designing of a wet-gas pipeline currently being operated in the two-phase mode.

  1. Effects of uncertainties in the thermodynamic properties of aerosol components in an air quality model - Part 1: Treatment of inorganic electrolytes and organic compounds in the condensed phase

    Science.gov (United States)

    Clegg, S. L.; Kleeman, M. J.; Griffin, R. J.; Seinfeld, J. H.

    2008-02-01

    Air quality models that generate the concentrations of semi-volatile and other condensable organic compounds using an explicit reaction mechanism require estimates of the physical and thermodynamic properties of the compounds that affect gas/aerosol partitioning: vapour pressure (as a subcooled liquid), and activity coefficients in the aerosol phase. The model of Griffin, Kleeman and co-workers (e.g., Griffin et al., 2003; Kleeman et al., 1999) assumes that aerosol particles consist of an aqueous phase, containing inorganic electrolytes and soluble organic compounds, and a hydrophobic phase containing mainly primary hydrocarbon material. Thirty eight semi-volatile reaction products are grouped into ten surrogate species which partition between the gas phase and both phases in the aerosol. Activity coefficients of the organic compounds are calculated using UNIFAC. In a companion paper (Clegg et al., 2008) we examine the likely uncertainties in the vapour pressures of the semi-volatile compounds and their effects on partitioning over a range of atmospheric relative humidities. In this work a simulation for the South Coast Air Basin surrounding Los Angeles, using lower vapour pressures of the semi-volatile surrogate compounds consistent with estimated uncertainties in the boiling points on which they are based, yields a doubling of the predicted 24-h average secondary organic aerosol concentrations. The dependency of organic compound partitioning on the treatment of inorganic electrolytes in the air quality model, and the performance of this component of the model, are determined by analysing the results of a trajectory calculation using an extended version of the Aerosol Inorganics Model of Wexler and Clegg (2002). Simplifications are identified where substantial efficiency gains can be made, principally: the omission of dissociation of the organic acid surrogates; restriction of aerosol organic compounds to one of the two phases (aqueous or hydrophobic) where

  2. Effects of uncertainties in the thermodynamic properties of aerosol components in an air quality model - Part I: Treatment of inorganic electrolytes and organic compounds in the condensed phase

    Science.gov (United States)

    Clegg, S. L.; Kleeman, M. J.; Griffin, R. J.; Seinfeld, J. H.

    2007-07-01

    Air quality models that generate the concentrations of semi-volatile and other condensable organic compounds using an explicit reaction mechanism require estimates of the physical and thermodynamic properties of the compounds that affect gas/aerosol partitioning: vapour pressure (as a subcooled liquid), and activity coefficients in the aerosol phase. The model of Griffin, Kleeman and co-workers (e.g., Griffin et al., 1999; Kleeman et al., 1999) assumes that aerosol particles consist of an aqueous phase, containing inorganic electrolytes and soluble organic compounds, and a hydrophobic phase containing mainly primary hydrocarbon material. Thirty eight semi-volatile reaction products are grouped into ten surrogate species which partition between the gas phase and both phases in the aerosol. Activity coefficients of the organic compounds are calculated using UNIFAC. In a companion paper (Clegg et al., 2007) we examine the likely uncertainties in the vapour pressures of the semi-volatile compounds and their effects on partitioning over a range of atmospheric relative humidities. In this work a simulation for the South Coast Air Basin surrounding Los Angeles, using lower vapour pressures of the semi-volatile surrogate compounds consistent with estimated uncertainties in the boiling points on which they are based, yields a doubling of the predicted 24-h average secondary organic aerosol concentrations. The dependency of organic compound partitioning on the treatment of inorganic electrolytes in the air quality model, and the performance of this component of the model, are determined by analysing the results of a trajectory calculation using an extended version of the Aerosol Inorganics Model of Wexler and Clegg (2002). Simplifications are identified where substantial efficiency gains can be made, principally: the omission of dissociation of the organic acid surrogates; restriction of aerosol organic compounds to one of the two phases (aqueous or hydrophobic) where

  3. Golden rule kinetics of transfer reactions in condensed phase: The microscopic model of electron transfer reactions in disordered solid matrices

    Science.gov (United States)

    Basilevsky, M. V.; Odinokov, A. V.; Titov, S. V.; Mitina, E. A.

    2013-12-01

    present approach to the Marcus ET theory and to the quantum-statistical reaction rate theory [V. G. Levich and R. R. Dogonadze, Dokl. Akad. Nauk SSSR, Ser. Fiz. Khim. 124, 213 (1959); J. Ulstrup, Charge Transfer in Condensed Media (Springer, Berlin, 1979); M. Bixon and J. Jortner, Adv. Chem. Phys. 106, 35 (1999)] underlying it is discussed and illustrated by the results of computations for practically important target systems.

  4. Molecular dynamics study of kinetic boundary condition at an interface between a polyatomic vapor and its condensed phase

    OpenAIRE

    Ishiyama, Tatsuya; Yano, Takeru; Fujikawa, Shigeo

    2004-01-01

    The kinetic boundary condition for the Boltzmann equation at an interface between a polyatomic vapor and its liquid phase is investigated by the numerical method of molecular dynamics, with particular emphasis on the functional form of the evaporation part of the boundary condition, including the evaporation coefficient. The present study is an extension of a previous one for argon [Ishiyama, Yano, and Fujikawa, Phys. Fluids 16, 2899 (2004)] to water and methanol, typical examples of polyatom...

  5. Development of a novel graphene/polyaniline electrodeposited coating for on-line in-tube solid phase microextraction of aldehydes in human exhaled breath condensate.

    Science.gov (United States)

    Li, Yu; Xu, Hui

    2015-05-22

    In this work, we introduced a novel graphene/polyaniline (G/PANI) electrodeposited coating for on-line in-tube solid phase microextraction (IT-SPME) for the first time. The G/PANI coating was prepared on the internal surface of stainless steel tube by a facile in-situ electrodeposition method. The morphology and formation of the composite coating were confirmed by scanning electronic microscopy (SEM) and Fourier transform infrared spectroscopy (FTIR). Some important experimental parameters that could affect the extraction and separation such as the coating thickness, internal diameter of tube, sampling flow rate as well as sample volume were optimized. The extraction performance of the IT-SPME coating was evaluated systematically. The coating exhibited enhanced mechanical stability, long lifespan, large specific surface area and good biocompatibility compared with polyaniline coating. The on-line IT-SPME method showed higher enrichment efficiency, faster analysis speed and higher automation level than off-line manual mode. Six aldehydes were determined simultaneously with low limits of detection of 0.02-0.04nmolL(-1) and good linearity (R(2)≥0.9920). The method has been applied successfully for the determination of aldehydes in human exhaled breath condensates with good recovery (70-120%) and satisfied reproducibility (relative standard deviation: 1.1-11.9%). This on-line IT-SPME method provides a promising approach for the determination of trace aldehydes with approving sensitivity in human exhaled breath condensates. Copyright © 2015 Elsevier B.V. All rights reserved.

  6. A web service infrastructure for thermochemical data.

    Science.gov (United States)

    Paolini, Christopher P; Bhattacharjee, Subrata

    2008-07-01

    W3C standardized Web Services are becoming an increasingly popular middleware technology used to facilitate the open exchange of chemical data. While several projects in existence use Web Services to wrap existing commercial and open-source tools that mine chemical structure data, no Web Service infrastructure has yet been developed to compute thermochemical properties of substances. This work presents an infrastructure of Web Services for thermochemical data retrieval. Several examples are presented to demonstrate how our Web Services can be called from Java, through JavaScript using an AJAX methodology, and within commonly used commercial applications such as Microsoft Excel and MATLAB for use in computational work. We illustrate how a JANAF table, widely used by chemists and engineers, can be quickly reproduced through our Web Service infrastructure.

  7. Dynamic aspects of spermiogenic chromatin condensation patterning by phase separation during the histone-to-protamine transition in charalean algae and relation to bryophytes.

    Science.gov (United States)

    Kasinsky, H E; Ellis, S; Martens, G; Ausió, J

    2014-12-01

    During early-to-middle spermiogenesis in multicellular, internally fertilizing charalean green algae (Chara fibrosa, Chara vulgaris, Chara tomentosa, Nitella missouriensis), patterning of chromatin/nucleoplasm in developing spermatid nuclei changes from granules → fibers → contorted lamellae → condensed chromatin. Cytochemical, immunocytochemical, electrophoretic studies on C. vulgaris and C. tomentosa spermatids (Kwiatkowska, Poplonska) and amino acid analysis of protamines in Chara corallina sperm (Reynolds, Wolfe), indicate that more positively charged protamines replace histones directly during spermiogenesis, not indirectly through other intermediate transitional proteins as in internally fertilizing neogastropods and sharks with more ordered spermatid lamellae. We hypothesize that such lamellar-mediated patterning is due to liquid-liquid phase separation by spinodal decomposition. This is a spontaneous thermodynamic process that involves diffusive instability of a lamellar chromatin network, a dominant pattern repeat distance and bicontinuity of chromatin/nucleoplasm phases. C. vulgaris sperm show contorted lamellae in the posterior region, whereas C. corallina sperm display contorted peripheral lamellae and interior fibrils. Among internally fertilizing liverworts, which may have evolved from Zygnematales, mid-spermatid nuclei lack lamellae. Instead they display self-coiled chromatin rods in Blasia pusilla, contain short chromatin tubules in Haplomitrium hookeri resembling those in internally fertilizing mosses and a hornwort and indirectly replace histones with protamines in Marchantia polymorpha. Copyright © 2014. Published by Elsevier Ltd.

  8. Two-phase, mass-transport model for direct methanol fuel cells with effect of non-equilibrium evaporation and condensation

    Science.gov (United States)

    Yang, W. W.; Zhao, T. S.

    A two-phase, mass-transport model for liquid-feed direct methanol fuel cells (DMFCs) is developed by taking into account the effect of non-equilibrium evaporation and condensation of methanol and water. The comparison between the present model and other models indicates that the present model yields more reasonable predictions of cell performance. Particularly, it is shown that the models that invoke a thermodynamic-equilibrium assumption between phases will overestimate mass-transport rates of methanol and water, thereby resulting in an inaccurate prediction of cell performance. The parametric study using the present model reveals that the gas coverage at the flow channel-diffusion-layer interface is directly related to the gas-void fraction inside the anode porous region; increasing the gas-void fraction will increase the mass-transfer resistance of methanol and thus lower cell performance. The effects of the geometric dimensions of the cell structure, such as channel width and rib width, on cell performance are also investigated with the model developed in this work.

  9. Effects of Disorder on a Bose-Einstein Condensate with Tunable Interaction: Transition to an Insulator and Loss of Phase Coherence^1

    Science.gov (United States)

    Chen, Yong P.; Hitchcock, J.; Dries, D.; Junker, M.; Welford, C.; Hulet, R. G.

    2007-03-01

    We report our study of the effects of disorder on a Bose-Einstein condensate (BEC) of ^7Li atoms with tunable interaction. A large ^7Li BEC is created in an elongated optical trap after forced evaporation. The strength of the repulsive interaction is tuned using a magnetic Feshbach resonance. A disordered optical potential, whose strength is also tunable, is generated by projecting a laser speckle pattern onto the atoms. We have performed transport studies by measuring the center of mass motion of the trapped BEC in the presence of disorder. Beyond a disorder strength (Vt), the dipole oscillation of the superfluid BEC is completely suppressed, signaling a transition to an insulator. We have also studied the time of flight expansion of the BEC after release from the trap and disordered potentials. With intermediate disorder strengths, striking fringes appear in the cloud after sufficient expansion time. Beyond some disorder strength (Vp), comparable to the chemical potential of the trapped BEC, the fringes are washed out, signaling a loss of phase coherence. Interestingly, Vp is significantly larger than Vt, suggesting that finite phase coherence can still exist in the insulator.

  10. Final Technical Report for Quantum Embedding for Correlated Electronic Structure in Large Systems and the Condensed Phase

    Energy Technology Data Exchange (ETDEWEB)

    Chan, Garnet Kin-Lic [Princeton Univ., NJ (United States)

    2017-04-30

    This is the final technical report. We briefly describe some selected results below. Developments in density matrix embedding. DMET is a quantum embedding theory that we introduced at the beginning of the last funding period, around 2012-2013. Since the first DMET papers, which demonstrated proof-of- principle calculations on the Hubbard model and hydrogen rings, we have carried out a number of different developments, including: Extending the DMET technology to compute broken symmetry phases, including magnetic phases and super- conductivity (Pub. 13); Calibrating the accuracy of DMET and its cluster size convergence against other methods, and formulation of a dynamical cluster analog (Pubs. 4, 10) (see Fig. 1); Implementing DMET for ab-initio molecular calculations, and exploring different self-consistency criteria (Pubs. 9, 14); Using embedding to defi ne quantum classical interfaces Pub. 2; Formulating DMET for spectral functions (Pub. 7) (see Fig. 1); Extending DMET to coupled fermion-boson problems (Pub. 12). Together with these embedding developments, we have also implemented a wide variety of impurity solvers within our DMET framework, including DMRG (Pub. 3), AFQMC (Pub. 10), and coupled cluster theory (CC) (Pub. 9).

  11. Catalyst Needs for Thermochemical Hydrogen Production Cycles

    International Nuclear Information System (INIS)

    Ginosar, Daniel M.; Petkovic, Lucia M.; Rollins, Harry W.; Burch, Kyle C.

    2007-01-01

    Thermochemical cycles can be used to split water through a series of chemical reactions where the net result is the production of hydrogen and oxygen at much lower temperatures than direct thermal decomposition. All chemicals within the cycle are fully recycled and the heat to drive the reactions, which tend to be endothermic, must be provided by a primary energy source. When the primary energy driver is nuclear heat, hydrogen can be generated without producing green-house gases, and can provide independence from our dwindling supplies of fossil fuels. A number of thermochemical cycles can be driven by the primary heat of nuclear reactors, especially a very high temperature reactor (VHTR). The sulfur-based family of thermochemical cycles, including the Sulfur- Iodine cycle (S-I), the Hybrid Sulfur cycle, and the Sulfur-Bromine Hybrid cycle, appears promising for producing hydrogen using nuclear heat. These cycles employ a high-temperature sulfuric acid decomposition reaction step. The reaction produces oxygen and generates SO 2 , which is used in other reaction steps of the cycles. The reaction takes place from 750 to 900 deg. C, or higher, and is facilitated by heterogeneous catalysts. The S-I cycle produces hydrogen by the catalytic decomposition of HI. The calcium-bromine cycle is also being considered as a nuclear powered thermochemical cycle. The various cycles all present requirements of high temperatures and harsh chemical reaction conditions which present significantly challenging environments for catalytic materials. This work will focus on the catalyst needs of thermochemical cycles that are candidates for being powered by nuclear reactors. Specific catalyst activity and stability testing results will be provided for the decomposition of sulfuric acid for the production of oxygen in the sulfur-based family of cycles and for the catalytic decomposition of hydro-iodic acid for the production of hydrogen in the S-I process. Sulfuric acid decomposition

  12. A miniature condensed-phase membrane introduction mass spectrometry (CP-MIMS) probe for direct and on-line measurements of pharmaceuticals and contaminants in small, complex samples.

    Science.gov (United States)

    Duncan, Kyle D; Willis, Megan D; Krogh, Erik T; Gill, Christopher G

    2013-06-15

    High-throughput, automated analytical measurements are desirable in many analytical scenarios, as are rapid sample pre-screening techniques to identify 'positive' samples for subsequent measurements using more time-consuming conventional methodologies (e.g., liquid chromatography/mass spectrometry (LC/MS)). A miniature condensed-phase membrane introduction mass spectrometry (CP-MIMS) probe for the direct and continuous, on-line measurement of pharmaceuticals and environmental contaminants in small, complex samples is presented. A miniature polydimethylsiloxane hollow fibre membrane (PDMS-HFM) probe is coupled with an electrospray ionization (ESI) triple quadrupole mass spectrometer. Analytes are transported from the probe to the ESI source by a methanol acceptor phase. The probe can be autosampler mounted and directly inserted in small samples (≥400 μL) allowing continuous and simultaneous pptr-ppb level detection of target analytes (chlorophenols, triclosan, gemfibrozil, nonylphenol) in complex samples (artificial urine, beer, natural water, waste water, plant tissue). The probe has been characterized and optimized for acceptor phase flow rate, sample mixing and probe washing. Signal response times, detection limits and calibration data are given for selected ion monitoring (SIM) and tandem mass spectrometry (MS/MS) measurements of target analytes at trace levels. Comparisons with flow cell type CP-MIMS systems are given. Analyte depletion effects are evaluated for small samples (≥400 μL). On-line measurements in small volumes of complex samples, temporally resolved reaction monitoring and in situ/in vivo demonstrations are presented. The miniature CP-MIMS probe developed was successfully used for the direct, on-line detection of target analytes in small volumes (40 mL to 400 μL) of complex samples at pptr to low ppb levels. The probe can be readily automated as well as deployed for in situ/in vivo monitoring, including reaction monitoring, small sample

  13. Electron-induced damage of biotin studied in the gas phase and in the condensed phase at a single-molecule level

    Science.gov (United States)

    Keller, Adrian; Kopyra, Janina; Gothelf, Kurt V.; Bald, Ilko

    2013-08-01

    Biotin is an essential vitamin that is, on the one hand, relevant for the metabolism, gene expression and in the cellular response to DNA damage and, on the other hand, finds numerous applications in biotechnology. The functionality of biotin is due to two particular sub-structures, the ring structure and the side chain with carboxyl group. The heterocyclic ring structure results in the capability of biotin to form strong intermolecular hydrogen and van der Waals bonds with proteins such as streptavidin, whereas the carboxyl group can be employed to covalently bind biotin to other complex molecules. Dissociative electron attachment (DEA) to biotin results in a decomposition of the ring structure and the carboxyl group, respectively, within resonant features in the energy range 0-12 eV, thereby preventing the capability of biotin for intermolecular binding and covalent coupling to other molecules. Specifically, the fragment anions (M-H)-, (M-O)-, C3N2O-, CH2O2-, OCN-, CN-, OH- and O- are observed, and exemplarily the DEA cross section of OCN- formation is determined to be 3 × 10-19 cm2. To study the response of biotin to electrons within a complex condensed environment, we use the DNA origami technique and determine a dissociation yield of (1.1 ± 0.2) × 10-14 cm2 at 18 eV electron energy, which represents the most relevant energy for biomolecular damage induced by secondary electrons. The present results thus have important implications for the use of biotin as a label in radiation experiments.

  14. Manipulation of a Bose-Einstein condensate by a time-averaged orbiting potential using phase jumps of the rotating field

    NARCIS (Netherlands)

    Cleary, P.W.; Hijmans, T.W.; Walraven, J.T.M.

    2010-01-01

    We report on the manipulation of the center-of-mass motion ("sloshing") of a Bose-Einstein condensate in a time-averaged orbiting potential (TOP) trap. We start with a condensate at rest in the center of a static trapping potential. When suddenly replacing the static trap with a TOP trap centered

  15. Influence of steel composition and plastic deformation on the surface properties induced by low temperature thermochemical processing

    DEFF Research Database (Denmark)

    Bottoli, Federico

    products. The activities carried out encompass the study and the characterization of the following aspects: ‐ Influence of plastic deformation prior to the low-temperature thermochemical process ‐ Influence of initial phase composition on the properties and morphology of thenitrided/nitrocarburized surface......Low-temperature thermochemical surface hardening by nitriding, carburizing and nitrocarburizing is used to improve the performance of stainless steels with respect to wear, fatigue and corrosion resistance.The dissolution of nitrogen and/or carbon atoms in the materials surface leads...... with the improvement of these properties, the corrosion resistance of the stainless steel is fully maintained or even enhanced. Despite low-temperature thermochemical processing of austenitic stainless steels has been widely studied in literature, other stainless steel classes and the influence of steel´s initial...

  16. Asymmetric condensed dark matter

    Energy Technology Data Exchange (ETDEWEB)

    Aguirre, Anthony; Diez-Tejedor, Alberto, E-mail: aguirre@scipp.ucsc.edu, E-mail: alberto.diez@fisica.ugto.mx [Santa Cruz Institute for Particle Physics and Department of Physics, University of California, Santa Cruz, CA, 95064 (United States)

    2016-04-01

    We explore the viability of a boson dark matter candidate with an asymmetry between the number densities of particles and antiparticles. A simple thermal field theory analysis confirms that, under certain general conditions, this component would develop a Bose-Einstein condensate in the early universe that, for appropriate model parameters, could survive the ensuing cosmological evolution until now. The condensation of a dark matter component in equilibrium with the thermal plasma is a relativistic process, hence the amount of matter dictated by the charge asymmetry is complemented by a hot relic density frozen out at the time of decoupling. Contrary to the case of ordinary WIMPs, dark matter particles in a condensate must be lighter than a few tens of eV so that the density from thermal relics is not too large. Big-Bang nucleosynthesis constrains the temperature of decoupling to the scale of the QCD phase transition or above. This requires large dark matter-to-photon ratios and very weak interactions with standard model particles.

  17. In-Space technology experiments program. A high efficiency thermal interface (using condensation heat transfer) between a 2-phase fluid loop and heatpipe radiator: Experiment definition phase

    Science.gov (United States)

    Pohner, John A.; Dempsey, Brian P.; Herold, Leroy M.

    1990-01-01

    Space Station elements and advanced military spacecraft will require rejection of tens of kilowatts of waste heat. Large space radiators and two-phase heat transport loops will be required. To minimize radiator size and weight, it is critical to minimize the temperature drop between the heat source and sink. Under an Air Force contract, a unique, high-performance heat exchanger is developed for coupling the radiator to the transport loop. Since fluid flow through the heat exchanger is driven by capillary forces which are easily dominated by gravity forces in ground testing, it is necessary to perform microgravity thermal testing to verify the design. This contract consists of an experiment definition phase leading to a preliminary design and cost estimate for a shuttle-based flight experiment of this heat exchanger design. This program will utilize modified hardware from a ground test program for the heat exchanger.

  18. Fermion condensation and gapped domain walls in topological orders

    Energy Technology Data Exchange (ETDEWEB)

    Wan, Yidun [Department of Physics and Center for Field Theory and Particle Physics, Fudan University,Shanghai 200433 (China); Collaborative Innovation Center of Advanced Microstructures, Nanjing University,Nanjing 210093 (China); Perimeter Institute for Theoretical Physics,Waterloo N2L 2Y5, Ontario (Canada); Wang, Chenjie [Perimeter Institute for Theoretical Physics,Waterloo N2L 2Y5, Ontario (Canada)

    2017-03-31

    We study fermion condensation in bosonic topological orders in two spatial dimensions. Fermion condensation may be realized as gapped domain walls between bosonic and fermionic topological orders, which may be thought of as real-space phase transitions from bosonic to fermionic topological orders. This picture generalizes the previous idea of understanding boson condensation as gapped domain walls between bosonic topological orders. While simple-current fermion condensation was considered before, we systematically study general fermion condensation and show that it obeys a Hierarchy Principle: a general fermion condensation can always be decomposed into a boson condensation followed by a minimal fermion condensation. The latter involves only a single self-fermion that is its own anti-particle and that has unit quantum dimension. We develop the rules of minimal fermion condensation, which together with the known rules of boson condensation, provides a full set of rules for general fermion condensation.

  19. Estimation of thermochemical behavior of spallation products in mercury target

    International Nuclear Information System (INIS)

    Kobayashi, Kaoru; Kaminaga, Masanori; Haga, Katsuhiro; Kinoshita, Hidetaka; Aso, Tomokazu; Teshigawara, Makoto; Hino, Ryutaro

    2002-02-01

    In order to examine the radiation safety of a spallation mercury target system, especially source term evaluation, it is necessary to clarify the chemical forms of spallation products generated by spallation reaction with proton beam. As for the chemical forms of spallation products in mercury that involves large amounts of spallation products, these forms were estimated by using the binary phase diagrams and the thermochemical equilibrium calculation based on the amounts of spallation product. Calculation results showed that the mercury would dissolve Al, As, B, Be, Bi, C, Co, Cr, Fe, Ga, Ge, Ir, Mo, Nb, Os, Re, Ru, Sb, Si, Ta, Tc, V and W in the element state, and Ag, Au, Ba, Br, Ca, Cd, Ce, Cl, Cs, Cu, Dy, Er, Eu, F, Gd, Hf, Ho, I, In, K, La, Li, Lu, Mg, Mn, Na, Nd, Ni, O, Pb, Pd, Pr, Pt, Rb, Rh, S, Sc, Se, Sm, Sn, Sr, Tb, Te, Ti, Tl, Tm, Y, Yb, Zn and Zr in the form of inorganic mercury compounds. As for As, Be, Co, Cr, Fe, Ge, Ir, Mo, Nb, Os, Pt, Re, Ru, Se, Ta, V, W and Zr, precipitation could be occurred when increasing the amounts of spallation products with operation time of the spallation target system. On the other hand, beryllium-7 (Be-7), which is produced by spallation reaction of oxygen in the cooling water of a safety hull, becomes the main factor of the external exposure to maintain the cooling loop. Based on the thermochemical equilibrium calculation to Be-H 2 O binary system, the chemical forms of Be in the cooling water were estimated. Then the Be could exist in the form of cations such as BeOH + , BeO + and Be 2+ under the condition of less than 10 -8 of the Be mole fraction in the cooling water. (author)

  20. Estimation of thermochemical behavior of spallation products in mercury target

    Energy Technology Data Exchange (ETDEWEB)

    Kobayashi, Kaoru; Kaminaga, Masanori; Haga, Katsuhiro; Kinoshita, Hidetaka; Aso, Tomokazu; Teshigawara, Makoto; Hino, Ryutaro [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment

    2002-02-01

    In order to examine the radiation safety of a spallation mercury target system, especially source term evaluation, it is necessary to clarify the chemical forms of spallation products generated by spallation reaction with proton beam. As for the chemical forms of spallation products in mercury that involves large amounts of spallation products, these forms were estimated by using the binary phase diagrams and the thermochemical equilibrium calculation based on the amounts of spallation product. Calculation results showed that the mercury would dissolve Al, As, B, Be, Bi, C, Co, Cr, Fe, Ga, Ge, Ir, Mo, Nb, Os, Re, Ru, Sb, Si, Ta, Tc, V and W in the element state, and Ag, Au, Ba, Br, Ca, Cd, Ce, Cl, Cs, Cu, Dy, Er, Eu, F, Gd, Hf, Ho, I, In, K, La, Li, Lu, Mg, Mn, Na, Nd, Ni, O, Pb, Pd, Pr, Pt, Rb, Rh, S, Sc, Se, Sm, Sn, Sr, Tb, Te, Ti, Tl, Tm, Y, Yb, Zn and Zr in the form of inorganic mercury compounds. As for As, Be, Co, Cr, Fe, Ge, Ir, Mo, Nb, Os, Pt, Re, Ru, Se, Ta, V, W and Zr, precipitation could be occurred when increasing the amounts of spallation products with operation time of the spallation target system. On the other hand, beryllium-7 (Be-7), which is produced by spallation reaction of oxygen in the cooling water of a safety hull, becomes the main factor of the external exposure to maintain the cooling loop. Based on the thermochemical equilibrium calculation to Be-H{sub 2}O binary system, the chemical forms of Be in the cooling water were estimated. Then the Be could exist in the form of cations such as BeOH{sup +}, BeO{sup +} and Be{sup 2+} under the condition of less than 10{sup -8} of the Be mole fraction in the cooling water. (author)

  1. Thermochemically Driven Gas-Dynamic Fracturing (TDGF)

    Energy Technology Data Exchange (ETDEWEB)

    Michael Goodwin

    2008-12-31

    This report concerns efforts to increase oil well productivity and efficiency via a method of heating the oil-bearing rock of the well, a technique known as Thermochemical Gas-Dynamic Fracturing (TGDF). The technique uses either a chemical reaction or a combustion event to raise the temperature of the rock of the well, thereby increasing oil velocity, and oil pumping rate. Such technology has shown promise for future application to both older wellheads and also new sites. The need for such technologies in the oil extraction field, along with the merits of the TGDF technology is examined in Chapter 1. The theoretical basis underpinning applications of TGDF is explained in Chapter 2. It is shown that productivity of depleted well can be increased by one order of magnitude after heating a reservoir region of radius 15-20 m around the well by 100 degrees 1-2 times per year. Two variants of thermal stimulation are considered: uniform heating and optimal temperature distribution in the formation region around the perforation zone. It is demonstrated that the well productivity attained by using equal amounts of thermal energy is higher by a factor of 3 to 4 in the case of optimal temperature distribution as compared to uniform distribution. Following this theoretical basis, two practical approaches to applying TDGF are considered. Chapter 3 looks at the use of chemical intiators to raise the rock temperature in the well via an exothermic chemical reaction. The requirements for such a delivery device are discussed, and several novel fuel-oxidizing mixtures (FOM) are investigated in conditions simulating those at oil-extracting depths. Such FOM mixtures, particularly ones containing nitric acid and a chemical initiator, are shown to dramatically increase the temperature of the oil-bearing rock, and thus the productivity of the well. Such tests are substantiated by preliminary fieldwork in Russian oil fields. A second, more cost effective approach to TGDF is considered in

  2. The condensed matter physics

    International Nuclear Information System (INIS)

    Sapoval, B.

    1988-01-01

    The 1988 progress report of the laboratory of the Condensed Matter Physics (Polytechnic School, France), is presented. The Laboratory activities are related to the physics of semiconductors and disordered phases. The electrical and optical properties of the semiconductors, mixed conductor, superionic conductors and ceramics, are studied. Moreover, the interfaces of those systems and the sol-gel inorganic polymerization phenomena, are investigated. The most important results obtained, concern the following investigations: the electrochemical field effect transistor, the cathodoluminescence, the low energy secondary electrons emission, the fluctuations of a two-dimensional diffused junction and the aerogels [fr

  3. Microencapsulation of salts for enhanced thermochemical storage materials

    NARCIS (Netherlands)

    Cuypers, R.; Jong, A.J. de; Eversdijk, J.; Spijker, J.C. van 't; Oversloot, H.P.; Ingenhut, B.L.J.; Cremers, R.K.H.; Papen-Botterhuis, N.E.

    2013-01-01

    Thermochemical storage is a new and emerging long-term thermal storage for residential use (cooling, heating & domestic hot water generation), offering high thermal storage density without the need for thermal insulation during storage (Fig. 1). However, existing materials for thermochemical storage

  4. Soft Condensed Matter

    International Nuclear Information System (INIS)

    Jones, Richard A L

    2002-01-01

    The author states in the preface of the book that the aim is '...to give a unified overview of the various aspects of the physics of soft condensed matter'. The book succeeds in fulfilling this aim in many respects. The style is fluent and concise and gives the necessary explanations to make its content understandable to people with some knowledge of the basic principles of physics. The content of the book is complete enough to give a panoramic view of the landscape of soft condensed matter. The first two chapters give, respectively, a short introduction and a presentation of forces, energies and timescales, giving a general overview and pointing out the particular importance of different aspects such as timescales, which are much more important in soft condensed matter than in traditional or 'hard' condensed matter. The next chapter, devoted to phase transition, recalls that the equilibrium between two phases is controlled by free energy considerations. Spinodal decomposition is presented as a counterpart of nucleation and growth. Again, characteristic length scales are considered and applied to a phase separation mixture of polymers in a common solvent. The following three chapters are devoted respectively to specific topics: colloidal dispersion, polymers and gelation. The stability and phase behaviour of colloids are related to the interaction between colloidal particles. Properties of colloidal crystals as well as colloidal dispersion are depicted in terms of stabilization of crystalline colloids. The flow properties of colloidal dispersion are presented in terms of free energy minimization and the structure of the dispersion. After a brief introduction to polymer chemistry and architecture, the coil-globule transition is discussed. Viscoelasticity of polymers is described and discussed by introducing the notion of entanglement. This leads to the introduction of the tube model and the theory of reptation. The sol-gel transition is presented phenomenologically

  5. Universal Themes of Bose-Einstein Condensation

    Science.gov (United States)

    Proukakis, Nick P.; Snoke, David W.; Littlewood, Peter B.

    2017-04-01

    Foreword; List of contributors; Preface; Part I. Introduction: 1. Universality and Bose-Einstein condensation: perspectives on recent work D. W. Snoke, N. P. Proukakis, T. Giamarchi and P. B. Littlewood; 2. A history of Bose-Einstein condensation of atomic hydrogen T. Greytak and D. Kleppner; 3. Twenty years of atomic quantum gases: 1995-2015 W. Ketterle; 4. Introduction to polariton condensation P. B. Littlewood and A. Edelman; Part II. General Topics: Editorial notes; 5. The question of spontaneous symmetry breaking in condensates D. W. Snoke and A. J. Daley; 6. Effects of interactions on Bose-Einstein condensation R. P. Smith; 7. Formation of Bose-Einstein condensates M. J. Davis, T. M. Wright, T. Gasenzer, S. A. Gardiner and N. P. Proukakis; 8. Quenches, relaxation and pre-thermalization in an isolated quantum system T. Langen and J. Schmiedmayer; 9. Ultracold gases with intrinsic scale invariance C. Chin; 10. Berezinskii-Kosterlitz-Thouless phase of a driven-dissipative condensate N. Y. Kim, W. H. Nitsche and Y. Yamamoto; 11. Superfluidity and phase correlations of driven dissipative condensates J. Keeling, L. M. Sieberer, E. Altman, L. Chen, S. Diehl and J. Toner; 12. BEC to BCS crossover from superconductors to polaritons A. Edelman and P. B. Littlewood; Part III. Condensates in Atomic Physics: Editorial notes; 13. Probing and controlling strongly correlated quantum many-body systems using ultracold quantum gases I. Bloch; 14. Preparing and probing chern bands with cold atoms N. Goldman, N. R. Cooper and J. Dalibard; 15. Bose-Einstein condensates in artificial gauge fields L. J. LeBlanc and I. B. Spielman; 16. Second sound in ultracold atomic gases L. Pitaevskii and S. Stringari; 17. Quantum turbulence in atomic Bose-Einstein condensates N. G. Parker, A. J. Allen, C. F. Barenghi and N. P. Proukakis; 18. Spinor-dipolar aspects of Bose-Einstein condensation M. Ueda; Part IV. Condensates in Condensed Matter Physics: Editorial notes; 19. Bose

  6. Physics of hollow Bose-Einstein condensates

    OpenAIRE

    Padavić, Karmela; Sun, Kuei; Lannert, Courtney; Vishveshwara, Smitha

    2016-01-01

    Bose-Einstein condensate shells, while occurring in ultracold systems of coexisting phases and potentially within neutron stars, have yet to be realized in isolation on Earth due to the experimental challenge of overcoming gravitational sag. Motivated by the expected realization of hollow condensates by the space-based Cold Atomic Laboratory in microgravity conditions, we study a spherical condensate undergoing a topological change from a filled sphere to a hollow shell. We argue that the col...

  7. Application of Thermochemical Modeling to Assessment/Evaluation of Nuclear Fuel Behavior

    Energy Technology Data Exchange (ETDEWEB)

    Besmann, Theodore M [University of South Carolina, Columbia; McMurray, Jake W [ORNL; Simunovic, Srdjan [ORNL

    2016-01-01

    The combination of new fuel compositions and higher burn-ups envisioned for the future means that representing fuel properties will be much more important, and yet more complex. Behavior within the oxide fuel rods will be difficult to model owing to the high temperatures, and the large number of elements generated and their significant concentrations that are a result of fuels taken to high burn-up. This unprecedented complexity offers an enormous challenge to the thermochemical understanding of these systems and opportunities to advance solid solution models to describe these materials. This paper attempts to model and simulate that behavior using an oxide fuels thermochemical description to compute the equilibrium phase state and oxygen potential of LWR fuel under irradiation.

  8. TEA: A CODE CALCULATING THERMOCHEMICAL EQUILIBRIUM ABUNDANCES

    Energy Technology Data Exchange (ETDEWEB)

    Blecic, Jasmina; Harrington, Joseph; Bowman, M. Oliver, E-mail: jasmina@physics.ucf.edu [Planetary Sciences Group, Department of Physics, University of Central Florida, Orlando, FL 32816-2385 (United States)

    2016-07-01

    We present an open-source Thermochemical Equilibrium Abundances (TEA) code that calculates the abundances of gaseous molecular species. The code is based on the methodology of White et al. and Eriksson. It applies Gibbs free-energy minimization using an iterative, Lagrangian optimization scheme. Given elemental abundances, TEA calculates molecular abundances for a particular temperature and pressure or a list of temperature–pressure pairs. We tested the code against the method of Burrows and Sharp, the free thermochemical equilibrium code Chemical Equilibrium with Applications (CEA), and the example given by Burrows and Sharp. Using their thermodynamic data, TEA reproduces their final abundances, but with higher precision. We also applied the TEA abundance calculations to models of several hot-Jupiter exoplanets, producing expected results. TEA is written in Python in a modular format. There is a start guide, a user manual, and a code document in addition to this theory paper. TEA is available under a reproducible-research, open-source license via https://github.com/dzesmin/TEA.

  9. TEA: A CODE CALCULATING THERMOCHEMICAL EQUILIBRIUM ABUNDANCES

    International Nuclear Information System (INIS)

    Blecic, Jasmina; Harrington, Joseph; Bowman, M. Oliver

    2016-01-01

    We present an open-source Thermochemical Equilibrium Abundances (TEA) code that calculates the abundances of gaseous molecular species. The code is based on the methodology of White et al. and Eriksson. It applies Gibbs free-energy minimization using an iterative, Lagrangian optimization scheme. Given elemental abundances, TEA calculates molecular abundances for a particular temperature and pressure or a list of temperature–pressure pairs. We tested the code against the method of Burrows and Sharp, the free thermochemical equilibrium code Chemical Equilibrium with Applications (CEA), and the example given by Burrows and Sharp. Using their thermodynamic data, TEA reproduces their final abundances, but with higher precision. We also applied the TEA abundance calculations to models of several hot-Jupiter exoplanets, producing expected results. TEA is written in Python in a modular format. There is a start guide, a user manual, and a code document in addition to this theory paper. TEA is available under a reproducible-research, open-source license via https://github.com/dzesmin/TEA.

  10. Radical cations in condensed phases

    Energy Technology Data Exchange (ETDEWEB)

    Symons, M.C.R. (Leicester Univ. (UK). Dept. of Chemistry)

    The subject is covered in sections, entitled: introduction (scope of present Review); preparative procedures; alkane and cycloalkane cations; alkene and cyclic alkene cations; alkyl-halide cations; alcohol and ether cations; carbonyl cations (aldehyde, ketone and ester cations); sulphur-centred cations; selenium-centred cations; nitrogen-centred cations; phosphorus-centred cations; tin- and lead-centred cations; aromatic cations; five membered hetero-aromatic cations; vinyl cations; inorganic cations.

  11. Dropwise condensation originating

    International Nuclear Information System (INIS)

    Croix, J.-M.

    1975-01-01

    Both principal modes of steam condensation (film or dropwise condensation) are surveyed. Available results are exposed as for contact angle measurements, and the heat transfer mechanisms proposed. The efficiency of the dropwise condensation mode is illustrated from the excellent results obtained in the laboratory by J.M. NIEZBORALA, using an organic compound (fluorinated disulfide) for originating the condensation [fr

  12. Anisotropic responses and initial decomposition of condensed-phase β-HMX under shock loadings via molecular dynamics simulations in conjunction with multiscale shock technique.

    Science.gov (United States)

    Ge, Ni-Na; Wei, Yong-Kai; Song, Zhen-Fei; Chen, Xiang-Rong; Ji, Guang-Fu; Zhao, Feng; Wei, Dong-Qing

    2014-07-24

    Molecular dynamics simulations in conjunction with multiscale shock technique (MSST) are performed to study the initial chemical processes and the anisotropy of shock sensitivity of the condensed-phase HMX under shock loadings applied along the a, b, and c lattice vectors. A self-consistent charge density-functional tight-binding (SCC-DFTB) method was employed. Our results show that there is a difference between lattice vector a (or c) and lattice vector b in the response to a shock wave velocity of 11 km/s, which is investigated through reaction temperature and relative sliding rate between adjacent slipping planes. The response along lattice vectors a and c are similar to each other, whose reaction temperature is up to 7000 K, but quite different along lattice vector b, whose reaction temperature is only up to 4000 K. When compared with shock wave propagation along the lattice vectors a (18 Å/ps) and c (21 Å/ps), the relative sliding rate between adjacent slipping planes along lattice vector b is only 0.2 Å/ps. Thus, the small relative sliding rate between adjacent slipping planes results in the temperature and energy under shock loading increasing at a slower rate, which is the main reason leading to less sensitivity under shock wave compression along lattice vector b. In addition, the C-H bond dissociation is the primary pathway for HMX decomposition in early stages under high shock loading from various directions. Compared with the observation for shock velocities V(imp) = 10 and 11 km/s, the homolytic cleavage of N-NO2 bond was obviously suppressed with increasing pressure.

  13. Forces and stress in second order Møller-Plesset perturbation theory for condensed phase systems within the resolution-of-identity Gaussian and plane waves approach

    International Nuclear Information System (INIS)

    Del Ben, Mauro; Hutter, Jürg; VandeVondele, Joost

    2015-01-01

    The forces acting on the atoms as well as the stress tensor are crucial ingredients for calculating the structural and dynamical properties of systems in the condensed phase. Here, these derivatives of the total energy are evaluated for the second-order Møller-Plesset perturbation energy (MP2) in the framework of the resolution of identity Gaussian and plane waves method, in a way that is fully consistent with how the total energy is computed. This consistency is non-trivial, given the different ways employed to compute Coulomb, exchange, and canonical four center integrals, and allows, for example, for energy conserving dynamics in various ensembles. Based on this formalism, a massively parallel algorithm has been developed for finite and extended system. The designed parallel algorithm displays, with respect to the system size, cubic, quartic, and quintic requirements, respectively, for the memory, communication, and computation. All these requirements are reduced with an increasing number of processes, and the measured performance shows excellent parallel scalability and efficiency up to thousands of nodes. Additionally, the computationally more demanding quintic scaling steps can be accelerated by employing graphics processing units (GPU’s) showing, for large systems, a gain of almost a factor two compared to the standard central processing unit-only case. In this way, the evaluation of the derivatives of the RI-MP2 energy can be performed within a few minutes for systems containing hundreds of atoms and thousands of basis functions. With good time to solution, the implementation thus opens the possibility to perform molecular dynamics (MD) simulations in various ensembles (microcanonical ensemble and isobaric-isothermal ensemble) at the MP2 level of theory. Geometry optimization, full cell relaxation, and energy conserving MD simulations have been performed for a variety of molecular crystals including NH 3 , CO 2 , formic acid, and benzene

  14. Forces and stress in second order Møller-Plesset perturbation theory for condensed phase systems within the resolution-of-identity Gaussian and plane waves approach

    Science.gov (United States)

    Del Ben, Mauro; Hutter, Jürg; VandeVondele, Joost

    2015-09-01

    The forces acting on the atoms as well as the stress tensor are crucial ingredients for calculating the structural and dynamical properties of systems in the condensed phase. Here, these derivatives of the total energy are evaluated for the second-order Møller-Plesset perturbation energy (MP2) in the framework of the resolution of identity Gaussian and plane waves method, in a way that is fully consistent with how the total energy is computed. This consistency is non-trivial, given the different ways employed to compute Coulomb, exchange, and canonical four center integrals, and allows, for example, for energy conserving dynamics in various ensembles. Based on this formalism, a massively parallel algorithm has been developed for finite and extended system. The designed parallel algorithm displays, with respect to the system size, cubic, quartic, and quintic requirements, respectively, for the memory, communication, and computation. All these requirements are reduced with an increasing number of processes, and the measured performance shows excellent parallel scalability and efficiency up to thousands of nodes. Additionally, the computationally more demanding quintic scaling steps can be accelerated by employing graphics processing units (GPU's) showing, for large systems, a gain of almost a factor two compared to the standard central processing unit-only case. In this way, the evaluation of the derivatives of the RI-MP2 energy can be performed within a few minutes for systems containing hundreds of atoms and thousands of basis functions. With good time to solution, the implementation thus opens the possibility to perform molecular dynamics (MD) simulations in various ensembles (microcanonical ensemble and isobaric-isothermal ensemble) at the MP2 level of theory. Geometry optimization, full cell relaxation, and energy conserving MD simulations have been performed for a variety of molecular crystals including NH3, CO2, formic acid, and benzene.

  15. Tunneling of trapped-atom Bose condensates

    Indian Academy of Sciences (India)

    Tunneling of trapped-atom Bose condensates. SUBODH R SHENOY. Abdus Salam International Centre for Theoretical Physics, P.O. Box 586, Trieste 34100, Italy. Abstract. We obtain the dynamics in number and phase difference, for Bose condensates that tun- nel between two wells of a double-well atomic trap, using the ...

  16. A Monte Carlo study of absorbed dose distributions in both the vapor and liquid phases of water by intermediate energy electrons based on different condensed-history transport schemes

    International Nuclear Information System (INIS)

    Bousis, C; Emfietzoglou, D; Hadjidoukas, P; Nikjoo, H

    2008-01-01

    Monte Carlo transport calculations of dose point kernels (DPKs) and depth dose profiles (DDPs) in both the vapor and liquid phases of water are presented for electrons with initial energy between 10 keV and 1 MeV. The results are obtained by the MC4 code using three different implementations of the condensed-history technique for inelastic collisions, namely the continuous slowing down approximation, the mixed-simulation with δ-ray transport and the addition of straggling distributions for soft collisions derived from accurate relativistic Born cross sections. In all schemes, elastic collisions are simulated individually based on single-scattering cross sections. Electron transport below 10 keV is performed in an event-by-event mode. Differences on inelastic interactions between the vapor and liquid phase are treated explicitly using our recently developed dielectric response function which is supplemented by relativistic corrections and the transverse contribution. On the whole, the interaction coefficients used agree to better than ∼5% with NIST/ICRU values. It is shown that condensed phase effects in both DPKs and DDPs practically vanish above 100 keV. The effect of δ-rays, although decreases with energy, is sizeable leading to more diffused distributions, especially for DPKs. The addition of straggling for soft collisions is practically inconsequential above a few hundred keV. An extensive benchmarking with other condensed-history codes is provided

  17. Strangeness condensation and ''clearing'' of the vacuum

    International Nuclear Information System (INIS)

    Brown, G.E.; Kubodera, Kuniharu; Rho, M.; State Univ. of New York, Stony Brook

    1987-01-01

    We show that a substantial amount of strange quark-antiquark pair condensates in the nucleon required by the πN sigma term implies that kaons could condense in nuclear matter at a density about three times that of normal nuclear matter. This phenomenon can be understood as the ''cleansing'' of qanti q condensates from the QCD vacuum by a dense nuclear matter, resulting in a (partial) restoration of the chiral symmetry explicitly broken in the vacuum. It is suggested that the condensation signals a new phase distinct from that of quark plasma and that of ordinary dense hadronic matter. (orig.)

  18. Thermochemical calculations for the urania-cesium iodide reaction

    International Nuclear Information System (INIS)

    Ugajin, Mitsuhiro

    1992-05-01

    Thermochemical calculations using the currently available data of ΔG 0 f (standard free energy of formation) were performed for the phase equilibria in the system U-Cs-O-I-Mo. Iodine pressures, oxygen pressures and oxygen potential ΔG-bar(O 2 ) were calculated at temperatures 300deg ∼ 1100degC for the onset of the reaction between CsI and hyperstoichiometric UO 2 to form gaseous iodine and Cs 2 U 4 O 12 or Cs 2 UO 4 . The calculated threshold ΔG-bar(O 2 )-values for the UO 2+X -CsI reaction in the presence or absence of molybdenum were in accord with a set of our experimental data at 800degC within the range of scatter in the calculated values. The computer code PURPLE was developed to calculate the phase equilibria relevant to the understanding of the UO 2+X -CsI reaction in the context of the system U-Cs-O-I-Mo. (author)

  19. The physics of exciton-polariton condensates

    CERN Document Server

    Lagoudakis, Konstantinos

    2013-01-01

    In 2006 researchers created the first polariton Bose-Einstein condensate at 19K in the solid state. Being inherently open quantum systems, polariton condensates open a window into the unpredictable world of physics beyond the “fifth state of matter”: the limited lifetime of polaritons renders polariton condensates out-of-equilibrium and provides a fertile test-bed for non-equilibrium physics. This book presents an experimental investigation into exciting features arising from this non-equilibrium behavior. Through careful experimentation, the author demonstrates the ability of polaritons to synchronize and create a single energy delocalized condensate. Under certain disorder and excitation conditions the complete opposite case of coexisting spatially overlapping condensates may be observed. The author provides the first demonstration of quantized vortices in polariton condensates and the first observation of fractional vortices with full phase and amplitude characterization. Finally, this book investigate...

  20. Condensate treatment system

    International Nuclear Information System (INIS)

    Masumitsu, Isao; Ito, Tomoaki; Kajio, Shozo; Takayama, Toshio; Ishikawa, Yasuyuki

    1992-01-01

    Condensate treatment system is installed for purifying condensate in thermal and nuclear power stations. Once-through boilers appeared, and in order to maintain the high purity water quality of condensate, condensate desalting facilities were installed in 1962 in Japan. There are the single type using condensate desalting facility only and the combined type of condensate prefilter and condensate desalting facility. The purpose of installing condensate treatment system is to remove corrosion products and ion components generated from the structural materials of plants and to remove sea water composition if it leaks. The general steam-condensate system in thermal power plants is explained. A standard JIS B 8223 'Quality of feedwater and boiler water for boilers' is instituted. The water treatment for boilers is carried out by the treatment of makeup feed, chemical treatment in boilers and blow. In the case of once-through boilers, blow cannot be done, accordingly, very high purity water is required. Condensate prefilter, condensate desalting facility, the watching of condensate treatment system and the operation in combined water treatment are reported. Also the condensate prefilters and the condensate desalting facilities for BWR and PWR plants are described. (K.I.)

  1. Solar Thermochemical Hydrogen Production Research (STCH)

    Energy Technology Data Exchange (ETDEWEB)

    Perret, Robert [Sandia National Lab. (SNL-CA), Livermore, CA (United States)

    2011-05-01

    Eight cycles in a coordinated set of projects for Solar Thermochemical Cycles for Hydrogen production (STCH) were self-evaluated for the DOE-EERE Fuel Cell Technologies Program at a Working Group Meeting on October 8 and 9, 2008. This document reports the initial selection process for development investment in STCH projects, the evaluation process meant to reduce the number of projects as a means to focus resources on development of a few most-likely-to-succeed efforts, the obstacles encountered in project inventory reduction and the outcomes of the evaluation process. Summary technical status of the projects under evaluation is reported and recommendations identified to improve future project planning and selection activities.

  2. Active Thermochemical Tables: Sequential Bond Dissociation Enthalpies of Methane, Ethane, and Methanol and the Related Thermochemistry

    Energy Technology Data Exchange (ETDEWEB)

    Ruscic, Branko

    2015-07-16

    Active Thermochemical Tables (ATcT) thermochemistry for the sequential bond dissociations of methane, ethane, and methanol systems were obtained by analyzing and solving a very large thermochemical network (TN). Values for all possible C–H, C–C, C–O, and O–H bond dissociation enthalpies at 298.15 K (BDE298) and bond dissociation energies at 0 K (D0) are presented. The corresponding ATcT standard gas-phase enthalpies of formation of the resulting CHn, n = 4–0 species (methane, methyl, methylene, methylidyne, and carbon atom), C2Hn, n = 6–0 species (ethane, ethyl, ethylene, ethylidene, vinyl, ethylidyne, acetylene, vinylidene, ethynyl, and ethynylene), and COHn, n = 4–0 species (methanol, hydroxymethyl, methoxy, formaldehyde, hydroxymethylene, formyl, isoformyl, and carbon monoxide) are also presented. The ATcT thermochemistry of carbon dioxide, water, hydroxyl, and carbon, oxygen, and hydrogen atoms is also included, together with the sequential BDEs of CO2 and H2O. The provenances of the ATcT enthalpies of formation, which are quite distributed and involve a large number of relevant determinations, are analyzed by variance decomposition and discussed in terms of principal contributions. The underlying reasons for periodic appearances of remarkably low and/or unusually high BDEs, alternating along the dissociation sequences, are analyzed and quantitatively rationalized. The present ATcT results are the most accurate thermochemical values currently available for these species.

  3. Benchmarking the DFT+U method for thermochemical calculations of uranium molecular compounds and solids.

    Science.gov (United States)

    Beridze, George; Kowalski, Piotr M

    2014-12-18

    Ability to perform a feasible and reliable computation of thermochemical properties of chemically complex actinide-bearing materials would be of great importance for nuclear engineering. Unfortunately, density functional theory (DFT), which on many instances is the only affordable ab initio method, often fails for actinides. Among various shortcomings, it leads to the wrong estimate of enthalpies of reactions between actinide-bearing compounds, putting the applicability of the DFT approach to the modeling of thermochemical properties of actinide-bearing materials into question. Here we test the performance of DFT+U method--a computationally affordable extension of DFT that explicitly accounts for the correlations between f-electrons - for prediction of the thermochemical properties of simple uranium-bearing molecular compounds and solids. We demonstrate that the DFT+U approach significantly improves the description of reaction enthalpies for the uranium-bearing gas-phase molecular compounds and solids and the deviations from the experimental values are comparable to those obtained with much more computationally demanding methods. Good results are obtained with the Hubbard U parameter values derived using the linear response method of Cococcioni and de Gironcoli. We found that the value of Coulomb on-site repulsion, represented by the Hubbard U parameter, strongly depends on the oxidation state of uranium atom. Last, but not least, we demonstrate that the thermochemistry data can be successfully used to estimate the value of the Hubbard U parameter needed for DFT+U calculations.

  4. Born-Kothari Condensation for Fermions

    Directory of Open Access Journals (Sweden)

    Arnab Ghosh

    2017-09-01

    Full Text Available In the spirit of Bose–Einstein condensation, we present a detailed account of the statistical description of the condensation phenomena for a Fermi–Dirac gas following the works of Born and Kothari. For bosons, while the condensed phase below a certain critical temperature, permits macroscopic occupation at the lowest energy single particle state, for fermions, due to Pauli exclusion principle, the condensed phase occurs only in the form of a single occupancy dense modes at the highest energy state. In spite of these rudimentary differences, our recent findings [Ghosh and Ray, 2017] identify the foregoing phenomenon as condensation-like coherence among fermions in an analogous way to Bose–Einstein condensate which is collectively described by a coherent matter wave. To reach the above conclusion, we employ the close relationship between the statistical methods of bosonic and fermionic fields pioneered by Cahill and Glauber. In addition to our previous results, we described in this mini-review that the highest momentum (energy for individual fermions, prerequisite for the condensation process, can be specified in terms of the natural length and energy scales of the problem. The existence of such condensed phases, which are of obvious significance in the context of elementary particles, have also been scrutinized.

  5. Performance of a passive emergency heat removal system of advanced reactors in two-phase flow and with high concentration of non-condensable; Atuacao de um sistema passivo de remocao de calor de emergencia de reatores avancados em escoamento bifasico e com alta concentracao de nao-condensaveis

    Energy Technology Data Exchange (ETDEWEB)

    Macedo, Luiz Alberto

    2008-07-01

    The research and the development of passive emergency cooling systems are necessary for the new generation of thermo-nuclear systems. Some basic information on the operation of these systems require the research of some relative processes to the natural circulation, mainly in conditions of two-phase flow involving processes of condensation in the presence of non-condensable gases, because many found situations are new. The experimental facility called Bancada de Circulacao Natural (BCN) was used for the realization of tests with diverse concentrations of non-condensable and power levels. The non-condensable gas present in the circuit decreases the rate of heat transfer for the secondary of the heat exchanger, determining low efficiency of the heat exchanger. High concentration of non-condensable in the vapor condensation, determines negative pressure, and cause the inversion of the flow in the circuit. The initial concentration of non-condensable and the geometry of the circuit, in the inlet of the heat exchanger, determines the establishment of transitory with two-phase flow. The BCN was performed with the computational code of Analysis of Accidents and Thermal-Hydraulics RELAP5/MOD 3.3 and, the calculated values had been compared with the experimental data, presenting good agreement for small non-condensable concentrations. The values calculated for high concentrations of non-condensable had been satisfactory after the circuit to have reached the temperature of saturation in the electric heater. (author)

  6. 2011 Biomass Program Platform Peer Review. Thermochemical Conversion

    Energy Technology Data Exchange (ETDEWEB)

    Grabowski, Paul E. [Office of Energy Efficiency and Renewable Energy (EERE), Washington, DC (United States)

    2012-02-01

    This document summarizes the recommendations and evaluations provided by an independent external panel of experts at the 2011 U.S. Department of Energy Biomass Program’s Thermochemical Conversion Platform Review meeting.

  7. Thermochemical study of cyanopyrazines: Experimental and theoretical approaches

    International Nuclear Information System (INIS)

    Miranda, Margarida S.; Morais, Victor M.F.; Matos, M. Agostinha R.

    2006-01-01

    The standard (p - bar =0.1MPa) molar energy of combustion, at T=298.15K, of crystalline 2,3-dicyanopyrazine was measured by static bomb calorimetry, in oxygen atmosphere. The standard molar enthalpy of sublimation, at T=298.15K, was obtained by Calvet Microcalorimetry, allowing the calculation of the standard molar enthalpy of formation of the compound, in the gas phase, at T=298.15K: Δ f H m - bar (g)=(518.7+/-3.4)kJ.mol -1 . In addition, the geometries of all cyanopyrazines were obtained using density functional theory with the B3LYP functional and two basis sets: 6-31G* and 6-311G**. These calculations were then used for a better understanding of the relation between structure and energetics of the cyanopyrazine systems. These calculations also reproduce measured standard molar enthalpies of formation with some accuracy and do provide estimates of this thermochemical parameter for those compounds that could not be studied experimentally, namely the tri- and tetracyanopyrazines: the strong electron withdrawing cyano group on the pyrazine ring makes cyanopyrazines highly destabilized compounds

  8. Condensation in insulated homes

    Energy Technology Data Exchange (ETDEWEB)

    Wiley, R A

    1978-05-28

    A research proposal on condensation in insulated homes is presented. Information is provided on: justification for condensation control; previous work and present outlook (good vapor barrier, condensation and retrofit insulation, vapor barrier decreases condensation, brick-veneer walls, condensation in stress-skin panels, air-conditioned buildings, retrofitting for conservation, study on mobile homes, high indoor relative humidity, report on various homes); and procedure (after funding has been secured). Measures are briefly described on opening walls, testing measures, and retrofitting procedures. An extensive bibliography and additional informative citations are included. (MCW)

  9. Modelling of condensation phenomena

    International Nuclear Information System (INIS)

    Jeong, Jae Jun; Chang, Won Pyo

    1996-07-01

    Condensation occurs when vapor is cooled sufficiently below the saturation temperature to induce the nucleation of droplets. Such nucleation may occur homogeneously within the vapor or heterogeneously on entrained particular matter. Heterogeneous nucleation may occur on the walls of the system, where the temperature is below the saturation temperature. There are two forms of heterogeneous condensation, drop-wise and film-wise. Another form of condensation occurs when vapor directly contacts to subcooled liquid. In nuclear power plant systems, all forms of condensation may occur during normal operation or accident conditions. In this work the modelling of condensation is surveyed, including the Nusselts' laminar film condensation theory in 1916, Rohsenow's turbulent film condensation model in 1950s, and Chen's models in 1987. Major attention is paid on the film condensation models among various research results because of its importance in engineering applications. It is found that theory, experiment, and empirical correlations for film condensation are well established, but research for drop-wise and direct-contact condensation are not sufficient yet. Condensation models in the best-estimate system codes such as RELAP5/MOD3 and CATHARE2 are also investigated. 3 tabs., 11 figs., 36 refs. (Author)

  10. Static Thermochemical Model of COREX Melter Gasifier

    Science.gov (United States)

    Srishilan, C.; Shukla, Ajay Kumar

    2018-02-01

    COREX is one of the commercial smelting reduction processes. It uses the finer size ore and semi-soft coal instead of metallurgical coke to produce hot metal from iron ore. The use of top gas with high calorific value as a by-product export gas makes the process economical and green. The predictive thermochemical model of the COREX process presented here enables rapid computation of process parameters such as (1) required amount of ore, coal, and flux; (2) amount of slag and gas generated; and (3) gas compositions (based on the raw material and desired hot metal quality). The model helps in predicting the variations in process parameters with respect to the (1) degree of metallization and (2) post-combustion ratio for given raw material conditions. In general reduction in coal, flux, and oxygen, the requirement is concomitant with an increase in the degree of metallization and post-combustion ratio. The model reported here has been benchmarked using industrial data obtained from the JSW Steel Plant, India.

  11. Interest of thermochemical data bases linked to complex equilibria calculation codes for practical applications

    International Nuclear Information System (INIS)

    Cenerino, G.; Marbeuf, A.; Vahlas, C.

    1992-01-01

    Since 1974, Thermodata has been working on developing an Integrated Information System in Inorganic Chemistry. A major effort was carried on the thermochemical data assessment of both pure substances and multicomponent solution phases. The available data bases are connected to powerful calculation codes (GEMINI = Gibbs Energy Minimizer), which allow to determine the thermodynamical equilibrium state in multicomponent systems. The high interest of such an approach is illustrated by recent applications in as various fields as semi-conductors, chemical vapor deposition, hard alloys and nuclear safety. (author). 26 refs., 6 figs

  12. Sulfur Based Thermochemical Heat Storage for Baseload Concentrated Solar Power Generation

    Energy Technology Data Exchange (ETDEWEB)

    Wong, Bunsen [General Atomics, San Diego, CA (United States)

    2014-11-01

    This project investigates the engineering and economic feasibility of supplying baseload power using a concentrating solar power (CSP) plant integrated with sulfur based thermochemical heat storage. The technology stores high temperature solar heat in the chemical bonds of elemental sulfur. Energy is recovered as high temperature heat upon sulfur combustion. Extensive developmental and design work associated with sulfur dioxide (SO2) disproportionation and sulfuric acid (H2SO4) decomposition chemical reactions used in this technology had been carried out in the two completed phases of this project. The feasibility and economics of the proposed concept was demonstrated and determined.

  13. Proceedings: Condenser technology conference

    International Nuclear Information System (INIS)

    Tsou, J.L.; Mussalli, Y.G.

    1991-08-01

    Seam surface condenser and associated systems performance strongly affects availability and heat rate in nuclear and fossil power plants. Thirty-six papers presented at a 1990 conference discuss research results, industry experience, and case histories of condenser problems and solutions. This report contains papers on life extension, performance improvement, corrosion and failure analysis, fouling prevention, and recommendation for future R ampersand D. The information represents recent work on condenser problems and solutions to improve the procurement, operation, and maintenance functions of power plant personnel. Several key points follow: A nuclear and a fossil power plant report show that replacing titanium tube bundles improves condenser availability and performance. One paper reports 10 years of experience with enhanced heat transfer tubes in utility condensers. The newly developed enhanced condenser tubes could further improve condensing heat transfer. A new resistance summation method improves the accuracy of condenser performance prediction, especially for stainless steel and titanium tubed condensers. Several papers describe improved condenser fouling monitoring techniques, including a review of zebra mussel issues

  14. Coupled thermochemical, isotopic evolution and heat transfer simulations in highly irradiated UO2 nuclear fuel

    Science.gov (United States)

    Piro, M. H. A.; Banfield, J.; Clarno, K. T.; Simunovic, S.; Besmann, T. M.; Lewis, B. J.; Thompson, W. T.

    2013-10-01

    Predictive capabilities for simulating irradiated nuclear fuel behavior are enhanced in the current work by coupling thermochemistry, isotopic evolution and heat transfer. Thermodynamic models that are incorporated into this framework not only predict the departure from stoichiometry of UO2, but also consider dissolved fission and activation products in the fluorite oxide phase, noble metal inclusions, secondary oxides including uranates, zirconates, molybdates and the gas phase. Thermochemical computations utilize the spatial and temporal evolution of the fission and activation product inventory in the pellet, which is typically neglected in nuclear fuel performance simulations. Isotopic computations encompass the depletion, decay and transmutation of more than 2000 isotopes that are calculated at every point in space and time. These computations take into consideration neutron flux depression and the increased production of fissile plutonium near the fuel pellet periphery (i.e., the so-called “rim effect”). Thermochemical and isotopic predictions are in very good agreement with reported experimental measurements of highly irradiated UO2 fuel with an average burnup of 102 GW d t(U)-1. Simulation results demonstrate that predictions are considerably enhanced when coupling thermochemical and isotopic computations in comparison to empirical correlations. Notice: This manuscript has been authored by UT-Battelle, LLC, under Contract No. DE-AC05-00OR22725 with the U.S. Department of Energy. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes.

  15. Thermochemical performance analysis of solar driven CO2 methane reforming

    International Nuclear Information System (INIS)

    Fuqiang, Wang; Jianyu, Tan; Huijian, Jin; Yu, Leng

    2015-01-01

    Increasing CO 2 emission problems create urgent challenges for alleviating global warming, and the capture of CO 2 has become an essential field of scientific research. In this study, a finite volume method (FVM) coupled with thermochemical kinetics was developed to analyze the solar driven CO 2 methane reforming process in a metallic foam reactor. The local thermal non-equilibrium (LTNE) model coupled with radiative heat transfer was developed to provide more temperature information. A joint inversion method based on chemical process software and the FVM coupled with thermochemical kinetics was developed to obtain the thermochemical reaction parameters and guarantee the calculation accuracy. The detailed thermal and thermochemical performance in the metal foam reactor was analyzed. In addition, the effects of heat flux distribution and porosity on the solar driven CO 2 methane reforming process were analyzed. The numerical results can serve as theoretical guidance for the solar driven CO 2 methane reforming application. - Highlights: • Solar driven CO 2 methane reforming process in metal foam reactor is analyzed. • FVM with chemical reactions was developed to analyze solar CO 2 methane reforming. • A joint inversion method was developed to obtain thermochemical reaction parameters. • Results can be a guidance for the solar driven CO 2 methane reforming application.

  16. Thermochemical energy storage : critical review and recent advances

    Energy Technology Data Exchange (ETDEWEB)

    Haji Abedin, A.; Rosen, M.A. [University of Ontario Inst. of Technology, Oshawa, ON (Canada). Faculty of Engineering and Applied Science

    2010-07-01

    The global increase in energy demand and environmental concerns are promoting the use of more efficient and cleaner energy technologies. Examples include advanced systems for waste energy recovery and energy integration. Thermochemical thermal energy storage (TES) is an emerging method with the potential for high energy density storage. It is not yet commercial and research and development is needed to better understand and design the technology and to resolve other practical aspects before commercial implementation can occur. TES is an advanced technology for storing thermal energy that can mitigate environmental impacts and facilitate more efficient and clean energy systems. This paper presented the principles of thermochemical TES and recent advances. Thermochemical TES was also critically assessed and compared with other TES types. The advantages and disadvantages of thermochemical TES were also considered as they relate to other TES types. It was concluded that thermochemical TES has the highest potential to achieve the required compact thermal energy storage where space is limited. 13 refs., 2 tabs., 1 fig.

  17. Condensate cleaning systems

    International Nuclear Information System (INIS)

    Yamamoto, Michiyoshi; Oosumi, Katsumi; Takashima, Yoshie; Mitani, Shinji.

    1982-01-01

    Purpose: To decrease the frequency for the backwash and regeneration operations due to the increase in the differential pressure resulted from claddings captured in a mixed floor type desalter, and decrease the amount of radioactive liquid wastes of claddings from the condensate systems by removing claddings with electromagnetic filters. Constitution: In an existent plant, a valves is disposed between a condensate pump and a mixed floor type desalter. A pipeway is branched from a condensate pipe between the condensate pipe and the valve, through which condensates are transferred by a pump to an electromagnetic filter such as of a high gradient type electromagntic filter to remove claddings, then returned to a condensate pipe between the valve and the mixed floor type desalter and, thereafter, are removed with ionic components in the mixed floor type desalter and fed to the reactor. (Yoshino, Y.)

  18. Biomass Thermochemical Conversion Program. 1983 Annual report

    Energy Technology Data Exchange (ETDEWEB)

    Schiefelbein, G.F.; Stevens, D.J.; Gerber, M.A.

    1984-08-01

    Highlights of progress achieved in the program of thermochemical conversion of biomass into clean fuels during 1983 are summarized. Gasification research projects include: production of a medium-Btu gas without using purified oxygen at Battelle-Columbus Laboratories; high pressure (up to 500 psia) steam-oxygen gasification of biomass in a fluidized bed reactor at IGT; producing synthesis gas via catalytic gasification at PNL; indirect reactor heating methods at the Univ. of Missouri-Rolla and Texas Tech Univ.; improving the reliability, performance, and acceptability of small air-blown gasifiers at Univ. of Florida-Gainesville, Rocky Creek Farm Gasogens, and Cal Recovery Systems. Liquefaction projects include: determination of individual sequential pyrolysis mechanisms at SERI; research at SERI on a unique entrained, ablative fast pyrolysis reactor for supplying the heat fluxes required for fast pyrolysis; work at BNL on rapid pyrolysis of biomass in an atmosphere of methane to increase the yields of olefin and BTX products; research at the Georgia Inst. of Tech. on an entrained rapid pyrolysis reactor to produce higher yields of pyrolysis oil; research on an advanced concept to liquefy very concentrated biomass slurries in an integrated extruder/static mixer reactor at the Univ. of Arizona; and research at PNL on the characterization and upgrading of direct liquefaction oils including research to lower oxygen content and viscosity of the product. Combustion projects include: research on a directly fired wood combustor/gas turbine system at Aerospace Research Corp.; adaptation of Stirling engine external combustion systems to biomass fuels at United Stirling, Inc.; and theoretical modeling and experimental verification of biomass combustion behavior at JPL to increase biomass combustion efficiency and examine the effects of additives on combustion rates. 26 figures, 1 table.

  19. Thermochemical valorization and characterization of household biowaste.

    Science.gov (United States)

    Vakalis, S; Sotiropoulos, A; Moustakas, K; Malamis, D; Vekkos, K; Baratieri, M

    2017-12-01

    Valorization of municipal solid waste (MSW), by means of energy and material recovery, is considered to be a crucial step for sustainable waste management. A significant fraction of MSW is comprised from food waste, the treatment of which is still a challenge. Therefore, the conventional disposal of food waste in landfills is being gradually replaced by recycling aerobic treatment, anaerobic digestion and waste-to-energy. In principle, thermal processes like combustion and gasification are preferred for the recovery of energy due to the higher electrical efficiency and the significantly less time required for the process to be completed when compared to biological process, i.e. composting, anaerobic digestion and transesterification. Nonetheless, the high water content and the molecular structure of biowaste are constraining factors in regard to the application of thermal conversion pathways. Investigating alternative solutions for the pre-treatment and more energy efficient handling of this waste fraction may provide pathways for the optimization of the whole process. In this study, by means of utilizing drying/milling as an intermediate step, thermal treatment of household biowaste has become possible. Household biowaste has been thermally processed in a bench scale reactor by means of torrefaction, carbonization and high temperature pyrolysis. According to the operational conditions, fluctuating fractions of biochar, bio-oil (tar) and syngas were recovered. The thermochemical properties of the feedstock and products were analyzed by means of Simultaneous Thermal Analysis (STA), Ultimate and Proximate analysis and Attenuated Total Reflectance (ATR). The analysis of the products shows that torrefaction of dried household biowaste produces an energy dense fuel and high temperature pyrolysis produces a graphite-like material with relatively high yield. Copyright © 2016 Elsevier Ltd. All rights reserved.

  20. Condensed matter analogues of cosmology

    Science.gov (United States)

    Kibble, Tom; Srivastava, Ajit

    2013-10-01

    It is always exciting when developments in one branch of physics turn out to have relevance in a quite different branch. It would be hard to find two branches farther apart in terms of energy scales than early-universe cosmology and low-temperature condensed matter physics. Nevertheless ideas about the formation of topological defects during rapid phase transitions that originated in the context of the very early universe have proved remarkably fruitful when applied to a variety of condensed matter systems. The mathematical frameworks for describing these systems can be very similar. This interconnection has led to a deeper understanding of the phenomena in condensed matter systems utilizing ideas from cosmology. At the same time, one can view these condensed matter analogues as providing, at least in a limited sense, experimental access to the phenomena of the early universe for which no direct probe is possible. As this special issue well illustrates, this remains a dynamic and exciting field. The basic idea is that when a system goes through a rapid symmetry-breaking phase transition from a symmetric phase into one with spontaneously broken symmetry, the order parameter may make different choices in different regions, creating domains that when they meet can trap defects. The scale of those domains, and hence the density of defects, is constrained by the rate at which the system goes through the transition and the speed with which order parameter information propagates. This is what has come to be known as the Kibble-Zurek mechanism. The resultant scaling laws have now been tested in a considerable variety of different systems. The earliest experiments illustrating the analogy between cosmology and condensed matter were in liquid crystals, in particular on the isotropic-to-nematic transition, primarily because it is very easy to induce the phase transition (typically at room temperature) and to image precisely what is going on. This field remains one of the

  1. Capabilities to Support Thermochemical Hydrogen Production Technology Development

    Energy Technology Data Exchange (ETDEWEB)

    Daniel M. Ginosar

    2009-05-01

    This report presents the results of a study to determine if Idaho National Laboratory (INL) has the skilled staff, instrumentation, specialized equipment, and facilities required to take on work in thermochemical research, development, and demonstration currently being performed by the Nuclear Hydrogen Initiative (NHI). This study outlines the beneficial collaborations between INL and other national laboratories, universities, and industries to strengthen INL's thermochemical efforts, which should be developed to achieve the goals of the NHI in the most expeditious, cost effective manner. Taking on this work supports INL's long-term strategy to maintain leadership in thermochemical cycle development. This report suggests a logical path forward to accomplish this transition.

  2. Biomass thermochemical conversion - overview of results; Biomassan jalostus - tutkimusalueen katsaus

    Energy Technology Data Exchange (ETDEWEB)

    Sipilae, K. [VTT Energy, Espoo (Finland). Energy Production Technologies

    1995-12-31

    In this Bioenergy research program the thermochemical conversion activities are mainly concentrated in three fields (1) flash pyrolysis and the use of wood oil in boilers and engines (2) biomass gasification for gas engine power plants and finally (3) conversion of black liquor and extractives in a pulp mill to various liquid fuels. Parallel to activities in Finland also significant work has been done in EU-Joule and Apas projects and in the IEA Bioenergy Agreement. In the area of flash pyrolysis technology, three new laboratory and PDU-units have been installed to VTT in order to produce various qualities of bio oils from wood and straw. The quality of pyrolysis oils have been characterized by physical and chemical methods supported by EU and IEA networks. Several companies are carrying out pyrolysis activities as well: Neste Oy is testing the wood oil in a 200 kW boiler, Waertsilae Diesel Oy is testing Canadian wood oil in a 1.5 MWe diesel power plant engine and Vapo Oy is carrying out investigations to produce pyrolysis oils in Finland. The biomass gasification coupled to a gas engine is an interesting alternative for small scale power production parallel to existing fluid bed boiler technology. VTT has installed a circulating fluid bed gasifier with advanced gas cleaning system to test various technologies in order to feed the gas to an engine. In order to produce liquid fuels at a pulp mill, the laboratory work has continued using crude soap as a raw material for high pressure liquid phase treatment and atmospheric pyrolysis process. The quality of the oil is like light fuel oil or diesel fuel, possibilities to use it as a lubricant will be investigated

  3. A techno-economic review of thermochemical cellulosic biofuel pathways.

    Science.gov (United States)

    Brown, Tristan R

    2015-02-01

    Recent advances in the thermochemical processing of biomass have resulted in efforts to commercialize several cellulosic biofuel pathways. Until commercial-scale production is achieved, however, techno-economic analysis is a useful methodology for quantifying the economic competitiveness of these pathways with petroleum, providing one indication of their long-term feasibility under the U.S. revised Renewable Fuel Standard. This review paper covers techno-economic analyses of thermochemical cellulosic biofuel pathways in the open literature, discusses and compares their results, and recommends the adoption of additional analytical methodologies that will increase the value of future pathway analyses. Copyright © 2014 Elsevier Ltd. All rights reserved.

  4. Thermochemical compatibility of ytterbia–(hafnia/silica) multilayers for environmental barrier coatings

    International Nuclear Information System (INIS)

    Poerschke, D.L.; Van Sluytman, J.S.; Wong, K.B.; Levi, C.G.

    2013-01-01

    Environmental barrier coating (EBC) systems consisting of multiple layers tailored to address individual protection needs may offer improved performance relative to conventional architectures. If the requirements of thermochemical and thermomechanical compatibility are met, the deposition of a segmented thermal barrier coating on a dense rare earth silicate EBC could provide additional thermal protection and resistance to attack by molten deposits. The thermochemical compatibility between silicates in the YbO 1.5 –SiO 2 system and phases in the YbO 1.5 –HfO 2 system was investigated by equilibrating powder compacts of selected ternary compositions; diffusion couples were used to simulate interactions at the layer interfaces in the proposed architectures. The deduced 1500 °C ternary isothermal section reveals that the ordered δ-Yb 4 Hf 3 O 12 and H 3 –Yb 6 HfO 11 phases are only compatible with ytterbium monosilicate (Yb 2 SiO 5 ) EBC. Implementation of these hafnates in contact with ytterbium disilicate (Yb 2 Si 2 O 7 ) leads to interfacial reactions that facilitate layer debonding. The results provide criteria to guide the design of future thermal/environmental barrier coating architectures

  5. Systematic text condensation

    DEFF Research Database (Denmark)

    Malterud, Kirsti

    2012-01-01

    To present background, principles, and procedures for a strategy for qualitative analysis called systematic text condensation and discuss this approach compared with related strategies.......To present background, principles, and procedures for a strategy for qualitative analysis called systematic text condensation and discuss this approach compared with related strategies....

  6. SUNgas: Thermochemical Approaches to Solar Fuels

    Science.gov (United States)

    Davidson, Jane

    2013-04-01

    Solar energy offers an intelligent solution to reduce anthropogenic emissions of greenhouse gases and to meet an expanding global demand for energy. A transformative change from fossil to solar energy requires collection, storage, and transport of the earth's most abundant but diffuse and intermittent source of energy. One intriguing approach for harvest and storage of solar energy is production of clean fuels via high temperature thermochemical processes. Concentrated solar energy is the heat source and biomass or water and carbon dioxide are the feedstocks. Two routes to produce fuels using concentrated solar energy and a renewable feed stock will be discussed: gasification of biomass or other carbonaceous materials and metal oxide cycles to produce synthesis gas. The first and most near term route to solar fuels is to gasify biomass. With conventional gasification, air or oxygen is supplied at fuel-rich levels to combust some of the feedstock and in this manner generate the energy required for conversion to H2 and CO. The partial-combustion consumes up to 40% of the energetic value of the feedstock. With air combustion, the product gas is diluted by high levels of CO2 and N2. Using oxygen reduces the product dilution, but at the expense of adding an oxygen plant. Supplying the required heat with concentrated solar radiation eliminates the need for partial combustion of the biomass feedstock. As a result, the product gas has an energetic value greater than that of the feedstock and it is not contaminated by the byproducts of combustion. The second promising route to solar fuels splits water and carbon dioxide. Two-step metal-oxide redox cycles hold out great potential because they the temperature required to achieve a reasonable degree of dissociation is lower than direct thermal dissociation and O2 and the fuel are produced in separate steps. The 1^st step is the endothermic thermal dissociation of the metal oxide to the metal or lower-valence metal oxide. The 2

  7. Chromosome condensation and segmentation

    International Nuclear Information System (INIS)

    Viegas-Pequignot, E.M.

    1981-01-01

    Some aspects of chromosome condensation in mammalians -humans especially- were studied by means of cytogenetic techniques of chromosome banding. Two further approaches were adopted: a study of normal condensation as early as prophase, and an analysis of chromosome segmentation induced by physical (temperature and γ-rays) or chemical agents (base analogues, antibiotics, ...) in order to show out the factors liable to affect condensation. Here 'segmentation' means an abnormal chromosome condensation appearing systematically and being reproducible. The study of normal condensation was made possible by the development of a technique based on cell synchronization by thymidine and giving prophasic and prometaphasic cells. Besides, the possibility of inducing R-banding segmentations on these cells by BrdU (5-bromodeoxyuridine) allowed a much finer analysis of karyotypes. Another technique was developed using 5-ACR (5-azacytidine), it allowed to induce a segmentation similar to the one obtained using BrdU and identify heterochromatic areas rich in G-C bases pairs [fr

  8. Condensation in complex geometries

    International Nuclear Information System (INIS)

    Lauro, F.

    1975-01-01

    A mathematical evaluation of the condensation exchange coefficient can only succeds for well specified cases: small upright or inclined plates, horizontal tubes, small height vertical tubes. Among the main hypotheses accounted for this mathematical development in the case of the condensate, a laminar flow and uniform surface temperature are always considered. In practice certain shapes of surfaces significantly increase the heat transfer during the vapor condensation on a surface wet by the condensate. Such surfaces are rough surfaces such as the condensate is submitted to surface tension effects, negligeable for plane or large curvature surfaces, and the nature of the material may play an important role (temperature gradients). Results from tests on tubes with special shapes, performed in France or out of France, are given [fr

  9. Quartet condensation of fermions.

    Science.gov (United States)

    Talukdar, Aseem; Ma, Michael; Zhang, Fu-Chun

    2007-10-01

    We investigate quartet condensation in fermion systems with four internal states. This is the generalization of the well known BCS superconductor formed by Cooper pair (CP) condensation. Physical examples include spin-3/2 fermionic atoms, bi-layered systems with electrons and holes, quadra-layer spin polarized electron hole system, and two band electronic system. We derive the Landau Ginzberg (LG) free energy for such system in terms of the CP amplitudes. The LG free energy is found to contain attractive interactions among different types of CP's. This will allow them to form bound states of CP's called Cooper quartets (CQ). Using a variational calculation based on the Bogoliubov inequality, we find that CQ condensation may be favored over pair condensation at low temperature. We also study the pairing structures in such systems when pair condensation is preferred.

  10. Thermo-chemical sequestration of naphthalene using Borassus ...

    African Journals Online (AJOL)

    Thermo-chemical sequestration of naphthalene using Borassus flabellifer Shell activated carbon: Effect of influencing parameters, isotherm and kinetic study. ... the removal of naphthalene from aqueous solution using one of the simplest agricultural wastes, Borassus flabellifer Shell activated carbon (BFS-AC) by adsorption.

  11. Renewable hydrogen production via thermochemical/electrochemical coupling

    Energy Technology Data Exchange (ETDEWEB)

    Ambrosini, Andrea [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Babiniec, Sean Michael [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Miller, James E. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2017-10-01

    A coupled electrochemical/thermochemical cycle was investigated to produce hydrogen from renewable resources. Like a conventional thermochemical cycle, this cycle leverages chemical energy stored in a thermochemical working material that is reduced thermally by solar energy. However, in this concept, the stored chemical energy only needs to be partially, but not fully, capable of splitting steam to produce hydrogen. To complete the process, a proton-conducting membrane is driven to separate hydrogen as it is produced, thus shifting the thermodynamics toward further hydrogen production. This novel coupled-cycle concept provides several benefits. First, the required oxidation enthalpy of the reversible thermochemical material is reduced, enabling the process to occur at lower temperatures. Second, removing the requirement for spontaneous steam-splitting widens the scope of materials compositions, allowing for less expensive/more abundant elements to be used. Lastly, thermodynamics calculations suggest that this concept can potentially reach higher efficiencies than photovoltaic-to-electrolysis hydrogen production methods. This Exploratory Express LDRD involved assessing the practical feasibility of the proposed coupled cycle. A test stand was designed and constructed and proton-conducting membranes were synthesized. While the full proof of concept was not achieved, the individual components of the experiment were validated and new capabilities that can be leveraged by a variety of programs were developed.

  12. Cascading pressure reactor and method for solar-thermochemical reactions

    Science.gov (United States)

    Ermanoski, Ivan

    2017-11-14

    Reactors and methods for solar thermochemical reactions are disclosed. The reactors and methods include a cascade of reduction chambers at successively lower pressures that leads to over an order of magnitude pressure decrease compared to a single-chambered design. The resulting efficiency gains are substantial, and represent an important step toward practical and efficient solar fuel production on a large scale.

  13. Thermochemical properties of the alkali hydroxides: A review

    International Nuclear Information System (INIS)

    Konings, R.J.M.; Cordfunke, E.H.P.

    1989-01-01

    The formation of volatile alkali hydroxides as a result of high-temperature steam corrosion plays an important role in nuclear technology. For the modeling of the volatilization processes, reliable thermodynamic data are required. In the present paper recent physico-chemical experiments by the authors will be discussed and the thermochemical properties of the alkali hydroxide series will be evaluated. (orig.)

  14. Fuels production by the thermochemical transformation of the biomass

    International Nuclear Information System (INIS)

    Claudet, G.

    2005-01-01

    The biomass is a local and renewable energy source, presenting many advantages. This paper proposes to examine the biomass potential in France, the energy valorization channels (thermochemical chains of thermolysis and gasification) with a special interest for the hydrogen production and the research programs oriented towards the agriculture and the forest. (A.L.B.)

  15. Carbonate thermochemical cycle for the production of hydrogen

    Science.gov (United States)

    Collins, Jack L [Knoxville, TN; Dole, Leslie R [Knoxville, TN; Ferrada, Juan J [Knoxville, TN; Forsberg, Charles W [Oak Ridge, TN; Haire, Marvin J [Oak Ridge, TN; Hunt, Rodney D [Oak Ridge, TN; Lewis, Jr, Benjamin E [Knoxville, TN; Wymer, Raymond G [Oak Ridge, TN

    2010-02-23

    The present invention is directed to a thermochemical method for the production of hydrogen from water. The method includes reacting a multi-valent metal oxide, water and a carbonate to produce an alkali metal-multi-valent metal oxide compound, carbon dioxide, and hydrogen.

  16. Thermochemical Surface Engineering: A Playground for Science and Innovation

    DEFF Research Database (Denmark)

    Christiansen, Thomas Lundin; Dahl, Kristian Vinter; Jellesen, Morten Stendahl

    2017-01-01

    at the surface. Current research and innovation activities are used to exemplify thermochemical surface engineering and the interplay of science and innovation. The examples given encompass aspects of the synthesis of extremely porous materials, low temperature surface hardening of stainless steel, surface...

  17. The NAGRA/PSI thermochemical database: new developments

    Energy Technology Data Exchange (ETDEWEB)

    Hummel, W.; Berner, U.; Thoenen, T. [Paul Scherrer Inst. (PSI), Villigen (Switzerland); Pearson, F.J.Jr. [Ground-Water Geochemistry, New Bern, NC (United States)

    2000-07-01

    The development of a high quality thermochemical database for performance assessment is a scientifically fascinating and demanding task, and is not simply collecting and recording numbers. The final product can by visualised as a complex building with different storeys representing different levels of complexity. The present status report illustrates the various building blocks which we believe are integral to such a database structure. (authors)

  18. The NAGRA/PSI thermochemical database: new developments

    International Nuclear Information System (INIS)

    Hummel, W.; Berner, U.; Thoenen, T.; Pearson, F.J.Jr.

    2000-01-01

    The development of a high quality thermochemical database for performance assessment is a scientifically fascinating and demanding task, and is not simply collecting and recording numbers. The final product can by visualised as a complex building with different storeys representing different levels of complexity. The present status report illustrates the various building blocks which we believe are integral to such a database structure. (authors)

  19. Non-equilibrium thermochemical heat storage in porous media

    DEFF Research Database (Denmark)

    Nagel, T.; Shao, H.; Singh, Ashok

    2013-01-01

    Thermochemical energy storage can play an important role in the establishment of a reliable renewable energy supply and can increase the efficiency of industrial processes. The application of directly permeated reactive beds leads to strongly coupled mass and heat transport processes that also...

  20. Kinetics of Microstructure Evolution during Gaseous Thermochemical Surface Treatment

    DEFF Research Database (Denmark)

    Somers, Marcel A.J.; Christiansen, Thomas

    2005-01-01

    ) precipitation of alloying element nitrides/carbides or by the development of a continuous layer of iron-based (carbo-) nitrides. The evolution of the microstructure during thermochemical treatments is not only determined by solid state diffusion, but in many cases also by the kinetics of the surface reactions...

  1. Biomass Program 2007 Program Peer Review - Thermochemical Conversion Platform Summary

    Energy Technology Data Exchange (ETDEWEB)

    none,

    2009-10-27

    This document discloses the comments provided by a review panel at the U.S. Department of Energy Office of the Biomass Program Peer Review held on November 15-16, 2007 in Baltimore, MD and the Biomass Program Peer Review for the Thermochemical Platform, held on July 9th and 10th in Golden, Colorado.

  2. Physics of condensed matter

    CERN Document Server

    Misra, Prasanta K

    2012-01-01

    Physics of Condensed Matter is designed for a two-semester graduate course on condensed matter physics for students in physics and materials science. While the book offers fundamental ideas and topic areas of condensed matter physics, it also includes many recent topics of interest on which graduate students may choose to do further research. The text can also be used as a one-semester course for advanced undergraduate majors in physics, materials science, solid state chemistry, and electrical engineering, because it offers a breadth of topics applicable to these majors. The book be

  3. Quasiparticles in condensed matter systems

    Science.gov (United States)

    Wölfle, Peter

    2018-03-01

    Quasiparticles are a powerful concept of condensed matter quantum theory. In this review, the appearence and the properties of quasiparticles are presented in a unifying perspective. The principles behind the existence of quasiparticle excitations in both quantum disordered and ordered phases of fermionic and bosonic systems are discussed. The lifetime of quasiparticles is considered in particular near a continuous classical or quantum phase transition, when the nature of quasiparticles on both sides of a transition into an ordered state changes. A new concept of critical quasiparticles near a quantum critical point is introduced, and applied to quantum phase transitions in heavy fermion metals. Fractional quasiparticles in systems of restricted dimensionality are reviewed. Dirac quasiparticles emerging in so-called Dirac materials are discussed. The more recent discoveries of topologically protected chiral quasiparticles in topological matter and Majorana quasiparticles in topological superconductors are briefly reviewed.

  4. CONDENSED MATTER: STRUCTURE, THERMAL AND MECHANICAL PROPERTIES: Phase-field simulation of the effect of interaction among ordered domains on interdiffusion in Ni-Al-Cr alloys

    Science.gov (United States)

    Zhang, Yu-Xiang; Wang, Jin-Cheng; Yang, Yu-Juan; Yang, Gen-Cang; Zhou, Yao-He

    2009-10-01

    The effect of interaction among γ' ordered domains on the interdiffusion process in γ + γ'/γ and γ + γ'/γ + γ' diffusion couples is investigated by using the phase-field method, in which bulk free energy and mobility are linked with thermodynamic and kinetic databases. Simulated results show that the interaction among γ' ordered domains has great influence on the microstructure, the interdiffusion velocity and the volume fraction of γ' phase on both sides of the diffusion couples.

  5. Numerical investigation of a straw combustion boiler – Part I: Modelling of the thermo-chemical conversion of straw

    Directory of Open Access Journals (Sweden)

    Dernbecher Andrea

    2016-01-01

    Full Text Available In the framework of a European project, a straw combustion boiler in conjunction with an organic Rankine cycle is developed. One objective of the project is the enhancement of the combustion chamber by numerical methods. A comprehensive simulation of the combustion chamber is prepared, which contains the necessary submodels for the thermo-chemical conversion of straw and for the homogeneous gas phase reactions. Part I introduces the modelling approach for the thermal decomposition of the biomass inside the fuel bed, whereas part II deals with the simulation of the gas phase reactions in the freeboard.

  6. Condensation in Microchannels

    National Research Council Canada - National Science Library

    Ameel, Timothy

    1999-01-01

    .... Evaporators and condensers for meso-scale energy systems will most likely be constructed of microchannels due to the microfabrication constraints that limit most structures to two-dimensional planar geometries...

  7. Influence of the carbon fiber surface microstructure on the surface chemistry generated by a thermo-chemical surface treatment

    International Nuclear Information System (INIS)

    Vautard, F.; Ozcan, S.; Paulauskas, F.; Spruiell, J.E.; Meyer, H.; Lance, M.J.

    2012-01-01

    Highlights: ► Continuous thermo-chemical surface treatment used to functionalize different types of carbon fibers. ► Surface density of functional groups directly correlated to the size of the surface microstructure. ► Preferential creation of hydroxyls and carboxylic acids confirmed regardless of the type of carbon fiber. ► Effective surface treatment regardless of the fiber surface microstructure. ► Potential alternative to electro-chemical surface treatment. - Abstract: Carbon fibers made of textile and aerospace grade polyacrylonitrile precursor fibers were surface treated by a continuous gas phase thermochemical treatment. The surface chemistry generated by the surface treatment was characterized by X-ray photoelectron spectroscopy. The surface and the average entire microstructure of the fibers were characterized by Raman spectroscopy and X-ray diffraction, respectively. Depending on the grade of the precursor, the final surface concentration of oxygen was comprised between 14% and 24%, whereas the typical commercial electrochemical surface treatments led to concentrations of around 8% with the same fibers. The final concentration of oxygen was directly correlated to the size of the crystallites which was a function of the grade of the polyacrylonitrile precursor and to the corresponding surface microstructure. The thermochemical surface treatment enabled a better control of the nature of the oxygen-containing functionalities as well. Whatever the grade of the precursor, desired hydroxyl groups and carboxylic acid functionalities were preferably generated, which is observed to be difficult with electrochemical surface treatments.

  8. Synchronous Condenser Allocation for Improving System Short Circuit Ratio

    DEFF Research Database (Denmark)

    Jia, Jundi; Yang, Guangya; Nielsen, Arne Hejde

    2018-01-01

    With converter-based renewable energy sources increasingly integrated into power systems and conventional power plants gradually phased out, future power systems will experience reduced short circuit strength. The deployment of synchronous condensers can serve as a potential solution. This paper...... presents an optimal synchronous condenser allocation method for improving system short circuit ratio at converter point of common coupling using a modified short circuit analysis approach. The total cost of installing new synchronous condensers is minimized while the system short circuit ratios...

  9. CONDENSED MATTER: STRUCTURE, MECHANICAL AND THERMAL PROPERTIES: Molecular Dynamics Study of Stability of Solid Solutions and Amorphous Phase in the Cu-Al System

    Science.gov (United States)

    Yang, Bin; Lai, Wen-Sheng

    2009-06-01

    The relative stability of fcc and bcc solid solutions and amorphous phase with different compositions in the Cu-Al system is studied by molecular dynamics simulations with n-body potentials. For Cu1-xAlx alloys, the calculations show that the fcc solid solution has the lowest energies in the composition region with x 0.72, while the bee solid solution has the lowest energies in the central composition range, in agreement with the ball-milling experiments that a single bcc solid solution with 0.30 < x < 0.70 is obtained. The evolution of structures in solid solutions and amorphous phase is studied by the coordination number (CN) and bond-length analysis so as to unveil the underlying physics. It is found that the energy sequence among three phases is determined by the competition in energy change originating from the bond length and CNs (or the number of bonds).

  10. Effects of uncertainties in the thermodynamic properties of aerosol components in an air quality model ─ Part 1: Treatment of inorganic electrolytes and organic compounds in the condensed phase

    Directory of Open Access Journals (Sweden)

    J. H. Seinfeld

    2008-02-01

    Full Text Available Air quality models that generate the concentrations of semi-volatile and other condensable organic compounds using an explicit reaction mechanism require estimates of the physical and thermodynamic properties of the compounds that affect gas/aerosol partitioning: vapour pressure (as a subcooled liquid, and activity coefficients in the aerosol phase. The model of Griffin, Kleeman and co-workers (e.g., Griffin et al., 2003; Kleeman et al., 1999 assumes that aerosol particles consist of an aqueous phase, containing inorganic electrolytes and soluble organic compounds, and a hydrophobic phase containing mainly primary hydrocarbon material. Thirty eight semi-volatile reaction products are grouped into ten surrogate species which partition between the gas phase and both phases in the aerosol. Activity coefficients of the organic compounds are calculated using UNIFAC. In a companion paper (Clegg et al., 2008 we examine the likely uncertainties in the vapour pressures of the semi-volatile compounds and their effects on partitioning over a range of atmospheric relative humidities. In this work a simulation for the South Coast Air Basin surrounding Los Angeles, using lower vapour pressures of the semi-volatile surrogate compounds consistent with estimated uncertainties in the boiling points on which they are based, yields a doubling of the predicted 24-h average secondary organic aerosol concentrations. The dependency of organic compound partitioning on the treatment of inorganic electrolytes in the air quality model, and the performance of this component of the model, are determined by analysing the results of a trajectory calculation using an extended version of the Aerosol Inorganics Model of Wexler and Clegg (2002. Simplifications are identified where substantial efficiency gains can be made, principally: the omission of dissociation of the organic acid surrogates; restriction of aerosol organic compounds to one of the two phases (aqueous or

  11. Global thermochemical imaging of the lithosphere using satellite and terrestrial observations

    Science.gov (United States)

    Fullea, Javier; Lebedev, Sergei; Martinec, Zdenek; Celli, Nicolas

    2017-04-01

    Conventional methods of seismic tomography, topography, gravity and electromagnetic data analysis and geodynamic modelling constrain distributions of seismic velocity, density, electrical conductivity, and viscosity at depth, all depending on temperature and composition of the rocks within the Earth. However, modelling and interpretation of multiple data sets provide a multifaceted image of the true thermochemical structure of the Earth that needs to be appropriately and consistently integrated. A simple combination of gravity, electromagnetic, geodynamics, petrological and seismic models alone is insufficient due to the non-uniqueness and different sensitivities of these models, and the internal consistency relationships that must connect all the intermediate parameters describing the Earth involved. Thermodynamic and petrological links between seismic velocities, density, electrical conductivity, viscosity, melt, water, temperature, pressure and composition within the Earth can now be modelled accurately using new methods of computational petrology and data from laboratory experiments. The growth of very large terrestrial and satellite (e.g., Swarm and GOCE ESA missions) geophysical data sets over the last few years, together with the advancement of petrological and geophysical modelling techniques, now present an opportunity for global, thermochemical and deformation 3D imaging of the lithosphere and underlying upper mantle with unprecedented resolution. This project combines state-of-the-art seismic waveform tomography (using both surface and body waves), newly available global gravity satellite data (geoid and gravity anomalies and new gradiometric measurements from ESA's GOCE mission) and surface heat flow and elevation within a self-consistent thermodynamic framework. The aim is to develop a method for detailed and robust global thermochemical image of the lithosphere and underlying upper mantle. In a preliminary study, we convert a state-of-the-art global

  12. Spatial Control of Condensation using Chemical Micropatterns

    Science.gov (United States)

    Murphy, Kevin; Hansen, Ryan; Nath, Saurabh; Retterer, Scott; Collier, Patrick; Boreyko, Jonathan; Nature-Inspired Fluids; Interfaces Team; CenterNanophase Materials Sciences Team

    2015-11-01

    Surfaces exhibiting wettability patterns can spatially control the nucleation of condensation to enable enhanced fog harvesting and phase-change heat transfer. To date, studies of patterned condensation have utilized a combination of chemical and topographical features, making it difficult to isolate the effects of intrinsic wettability versus surface roughness on spatially controlling the condensate. Here, we fabricate chemical micropatterns consisting of hydrophilic silicon oxide and a smooth hydrophobic silane monolayer to isolate the effects of changes in intrinsic wettability on the spatial control of condensation. Complete spatial control, defined as every nucleation and growth event occurring exclusively on the hydrophilic features, was observed even for supercooled droplets at high water vapor supersaturation. However, this complete spatial control was found to break down beyond a critical spacing that depended upon the extent of supersaturation. The average diameter of condensate was found to be smaller for the chemically micropatterned surfaces compared to a uniformly hydrophobic surface. Control of inter-droplet spacing between supercooled condensate through chemical patterning can be employed to minimize the growth of inter-droplet frost on cold surfaces.

  13. THERMOCHEMICAL HEAT STORAGE FOR CONCENTRATED SOLAR POWER

    Energy Technology Data Exchange (ETDEWEB)

    PROJECT STAFF

    2011-10-31

    Thermal energy storage (TES) is an integral part of a concentrated solar power (CSP) system. It enables plant operators to generate electricity beyond on sun hours and supply power to the grid to meet peak demand. Current CSP sensible heat storage systems employ molten salts as both the heat transfer fluid and the heat storage media. These systems have an upper operating temperature limit of around 400 C. Future TES systems are expected to operate at temperatures between 600 C to 1000 C for higher thermal efficiencies which should result in lower electricity cost. To meet future operating temperature and electricity cost requirements, a TES concept utilizing thermochemical cycles (TCs) based on multivalent solid oxides was proposed. The system employs a pair of reduction and oxidation (REDOX) reactions to store and release heat. In the storage step, hot air from the solar receiver is used to reduce the oxidation state of an oxide cation, e.g. Fe3+ to Fe2+. Heat energy is thus stored as chemical bonds and the oxide is charged. To discharge the stored energy, the reduced oxide is re-oxidized in air and heat is released. Air is used as both the heat transfer fluid and reactant and no storage of fluid is needed. This project investigated the engineering and economic feasibility of this proposed TES concept. The DOE storage cost and LCOE targets are $15/kWh and $0.09/kWh respectively. Sixteen pure oxide cycles were identified through thermodynamic calculations and literature information. Data showed the kinetics of re-oxidation of the various oxides to be a key barrier to implementing the proposed concept. A down selection was carried out based on operating temperature, materials costs and preliminary laboratory measurements. Cobalt oxide, manganese oxide and barium oxide were selected for developmental studies to improve their REDOX reaction kinetics. A novel approach utilizing mixed oxides to improve the REDOX kinetics of the selected oxides was proposed. It partially

  14. Thermo-chemical Ice Penetrator for Icy Moons

    Science.gov (United States)

    Arenberg, J. W.; Lee, G.; Harpole, G.; Zamel, J.; Sen, B.; Ross, F.; Retherford, K. D.

    2016-12-01

    The ability to place sensors or to take samples below the ice surface enables a wide variety of potential scientific investigations. Penetrating an ice cap can be accomplished via a mechanical drill, laser drill, kinetic impactor, or heated penetrator. This poster reports on the development of technology for the latter most option, namely a self-heated probe driven by an exothermic chemical reaction: a Thermo-chemical ice penetrator (TChIP). Our penetrator design employs a eutectic mix of alkali metals that produce an exothermic reaction upon contact with an icy surface. This reaction increases once the ice starts melting, so no external power is required. This technology is inspired by a classified Cold-War era program developed at Northrop Grumman for the US Navy. Terrestrial demonstration of this technology took place in the Arctic; however, this device cannot be considered high TRL for application at the icy moons of the solar system due to the environmental differences between Earth's Arctic and the icy moons. These differences demand a TChIP design specific to these cold, low mass, airless worlds. It is expected that this model of TChIP performance will be complex, incorporating all of the forces on the penetrator, gravity, the thermo-chemistry at the interface between penetrator and ice, and multi-phase heat and mass transport, and hydrodynamics. Our initial efforts are aimed at the development of a validated set of tools and simulations to predict the performance of the penetrator for both the environment found on these icy moons and for a terrestrial environment. The purpose of the inclusion of the terrestrial environment is to aid in model validation. Once developed and validated, our models will allow us to design penetrators for a specific scientific application on a specific body. This poster discusses the range of scientific investigations that are enabled by TChIP. We also introduce the development plan to advance TChIP to the point where it can be

  15. Mathematical modelling of dropwise condensation on textured ...

    Indian Academy of Sciences (India)

    Abstract. Vapor-to-liquid phase change in the form of discrete drops on or under- neath a substrate is called dropwise condensation. The process is hierarchical in the sense that it occurs over a wide range of length and timescales. As the associated heat transfer coefficient is much higher than the film and mixed mode of ...

  16. Tunneling of trapped-atom Bose condensates

    Indian Academy of Sciences (India)

    Abstract. We obtain the dynamics in number and phase difference, for Bose condensates that tun- nel between two wells of a double-well atomic trap, using the (nonlinear) Gross–Pitaevskii equation. The dynamical equations are of the canonical form for the two conjugate variables, and the Hamil- tonian corresponds to that ...

  17. Condensate formation in a Bose gas

    NARCIS (Netherlands)

    Stoof, H.T.C.

    1995-01-01

    Using magnetically trapped atomic hydrogen as an example, we investigate the prospects of achieving Bose-Einstein condensation in a dilute Bose gas. We show that, if gas is quenched sufficiently far into the critical region of the phase transition, the typical time scale for the nucleation of the

  18. Tunneling of trapped-atom Bose condensates

    Indian Academy of Sciences (India)

    We obtain the dynamics in number and phase difference, for Bose condensates that tunnel between two wells of a double-well atomic trap, using the (nonlinear) Gross–Pitaevskii equation. The dynamical equations are of the canonical form for the two conjugate variables, and the Hamiltonian corresponds to that of a ...

  19. Condensation of an ideal gas obeying non-Abelian statistics.

    Science.gov (United States)

    Mirza, Behrouz; Mohammadzadeh, Hosein

    2011-09-01

    We consider the thermodynamic geometry of an ideal non-Abelian gas. We show that, for a certain value of the fractional parameter and at the relevant maximum value of fugacity, the thermodynamic curvature has a singular point. This indicates a condensation such as Bose-Einstein condensation for non-Abelian statistics and we work out the phase transition temperature in various dimensions.

  20. Condensate feeding system

    International Nuclear Information System (INIS)

    Iwami, Hiroshi.

    1981-01-01

    Purpose: To control the dissolved oxygen concentration in water of a condensate feeding system to a desired level. Constitution: Coolant is fed to a nuclear reactor through a route from the steam exit of the reactor and by way of turbine, turbine condensator, condensate pump, condensate desalinator, feedwater heater and feed pump. Steam extraction lines are branched from the turbines, and pipeways are further branched from the steam extraction lines for feeding steam by way of extraction steam injection valves to steam-water mixers disposed on the upstream of the feedwater heater. On the downstream of the feedwater heater, is provided a dissolved oxygen concentration meter, the indication value of which controls the opening degree of the steam injection valves which, in turn, controls the opening degree of the steam feed valves for the feedwater heater to adjust the amount for the injection steams. Accordingly, the dissolved oxygen concentration in the water of the condensate feeding system can be controlled by the inclusion of steams with high dissolved oxygen concentration into the feedwater system from the turbine steam extraction lines by way of the mixers. (Furukawa, Y.)

  1. Quantitative Thermochemical Measurements in High-Pressure Gaseous Combustion

    Science.gov (United States)

    Kojima, Jun J.; Fischer, David G.

    2012-01-01

    We present our strategic experiment and thermochemical analyses on combustion flow using a subframe burst gating (SBG) Raman spectroscopy. This unconventional laser diagnostic technique has promising ability to enhance accuracy of the quantitative scalar measurements in a point-wise single-shot fashion. In the presentation, we briefly describe an experimental methodology that generates transferable calibration standard for the routine implementation of the diagnostics in hydrocarbon flames. The diagnostic technology was applied to simultaneous measurements of temperature and chemical species in a swirl-stabilized turbulent flame with gaseous methane fuel at elevated pressure (17 atm). Statistical analyses of the space-/time-resolved thermochemical data provide insights into the nature of the mixing process and it impact on the subsequent combustion process in the model combustor.

  2. ALTERNATIVE FLOWSHEETS FOR THE SULFUR-IODINE THERMOCHEMICAL HYDROGEN CYCLE

    Energy Technology Data Exchange (ETDEWEB)

    BROWN,LC; LENTSCH,RD; BESENBRUCH,GE; SCHULTZ,KR; FUNK,JE

    2003-02-01

    OAK-B135 A hydrogen economy will need significant new sources of hydrogen. Unless large-scale carbon sequestration can be economically implemented, use of hydrogen reduces greenhouse gases only if the hydrogen is produced with non-fossil energy sources. Nuclear energy is one of the limited options available. One of the promising approaches to produce large quantities of hydrogen from nuclear energy efficiently is the Sulfur-Iodine (S-I) thermochemical water-splitting cycle, driven by high temperature heat from a helium Gas-Cooled Reactor. They have completed a study of nuclear-driven thermochemical water-splitting processes. The final task of this study was the development of a flowsheet for a prototype S-I production plant. An important element of this effort was the evaluation of alternative flowsheets and selection of the reference design.

  3. Thermochemical stability of Soviet macroporous sulfonated cation-exchangers

    Energy Technology Data Exchange (ETDEWEB)

    Rukhlyada, N.N.; Plotnikova, V.P.; Roginskaya, B.S.; Znamenskii, Yu.P.; Zavodovskaya, A.S.; Dobrova, E.I.

    1988-10-20

    The purpose of this work was to study the influence of macroporosity on the thermochemical stability of sulfonated cation-exchangers. The investigations were carried out on commercial macroporous sulfonated cation-exchangers based on styrene-divinylbenzene copolymers. Study of the thermochemical stability of macroporous sulfonated cation-exchangers in dilute hydrogen peroxide solutions showed that the type of macroporosity has virtually no influence on their stability. The determining factor in thermal stability of macroporous cation-exchangers, as of the gel type, is the degree of cross-linking of the polymer matrix. The capacity loss of macroporous cation-exchangers during oxidative thermolysis is caused by destruction of the macromolecular skeleton and elution of fragments of polar chains containing sulfo groups into the solution.

  4. Thermochemical treatment of biogas digestate solids to produce organic fertilisers

    DEFF Research Database (Denmark)

    Pantelopoulos, Athanasios

    Anaerobic digestion of animal manures has been proposed as a process with twofold advantage. The production of biogas, a renewable source of energy, and the treatment of animal manures to increase their agronomic value and reduce their environmental impact. However, the residual of anaerobic...... in the N cycle in the solidssoil- plant system, 15N has been utilized at the second and third study. In conclusion, drying of digestate solids resulted in an end-product with increased stability and reduced mass/volume which can facilitate its storage and transportation. Nevertheless, dried digestate....... For a full utilization of acidification and drying as digestate solids treatment, a more systematic assessment of the effect of the thermochemical treatment on P availability is required. Moreover, the ameliorating properties of thermo-chemically treated solids should be assessed in comparison with known...

  5. Thermochemical structure of the Earth's mantle and continental crust

    DEFF Research Database (Denmark)

    Guerri, Mattia

    in determining crustal seismic discontinuities. In the second chapter, I deal about the possibility to disentangle the dynamic and isostatic contribution in shaping the Earth's surface topography. Dynamic topography is directly linked to mantle convection driven by mantle thermo-chemical anomalies, and can......A detailed knowledge of the Earth's thermal structure and chemical composition is fundamental in order to understand the processes driving the planet ormation and evolution. The inaccessibility of most of the Earth's interior makes the determination of its thermo-chemical conditions a challenging...... argue therefore that our understandings of the lithosphere density structure, needed to determine the isostatic topography, and of the mantle density and viscosity, required to compute the dynamic topography, are still too limited to allow a robust determination of mantle convection effects on the Earth...

  6. AB Initio Prediction of Thermochemical Parameters for Flame Species

    Science.gov (United States)

    1980-05-01

    values for the dissociation energy of methanol have been reported recently, Batt and McCulloch derived AHg,300 for methanol using thermochemical...1826 (1978). 30. L. Batt and R. D. McCulloch , "Pyrolysis of Dimethyl Peroxide", Int. J. Chemical Kinetics 8, 491 (1976). 31. G. F. Adams, "A Priori...Command ATTN: DRDTA-UL Warren , MI 48090 Commander US Army White Sands Missile Range ATTN: STEWS-VT White Sands Missile Range MM 88002 Commander

  7. Observations of Circumstellar Thermochemical Equilibrium: The Case of Phosphorus

    Science.gov (United States)

    Milam, Stefanie N.; Charnley, Steven B.

    2011-01-01

    We will present observations of phosphorus-bearing species in circumstellar envelopes, including carbon- and oxygen-rich shells 1. New models of thermochemical equilibrium chemistry have been developed to interpret, and constrained by these data. These calculations will also be presented and compared to the numerous P-bearing species already observed in evolved stars. Predictions for other viable species will be made for observations with Herschel and ALMA.

  8. High pressure sulfuric acid decomposition experiments for the sulfur-iodine thermochemical cycle.

    Energy Technology Data Exchange (ETDEWEB)

    Velasquez, Carlos E; Reay, Andrew R.; Andazola, James C.; Naranjo, Gerald E.; Gelbard, Fred

    2005-09-01

    A series of three pressurized sulfuric acid decomposition tests were performed to (1) obtain data on the fraction of sulfuric acid catalytically converted to sulfur dioxide, oxygen, and water as a function of temperature and pressure, (2) demonstrate real-time measurements of acid conversion for use as process control, (3) obtain multiple measurements of conversion as a function of temperature within a single experiment, and (4) assess rapid quenching to minimize corrosion of metallic components by undecomposed acid. All four of these objectives were successfully accomplished. This report documents the completion of the NHI milestone on high pressure H{sub 2}SO{sub 4} decomposition tests for the Sulfur-Iodine (SI) thermochemical cycle project. All heated sections of the apparatus, (i.e. the boiler, decomposer, and condenser) were fabricated from Hastelloy C276. A ceramic acid injection tube and a ceramic-sheathed thermocouple were used to minimize corrosion of hot liquid acid on the boiler surfaces. Negligible fracturing of the platinum on zirconia catalyst was observed in the high temperature decomposer. Temperature measurements at the exit of the decomposer and at the entry of the condenser indicated that the hot acid vapors were rapidly quenched from about 400 C to less than 20 C within a 14 cm length of the flow path. Real-time gas flow rate measurements of the decomposition products provided a direct measurement of acid conversion. Pressure in the apparatus was preset by a pressure-relief valve that worked well at controlling the system pressure. However, these valves sometimes underwent abrupt transitions that resulted in rapidly varying gas flow rates with concomitant variations in the acid conversion fraction.

  9. Thermochemical Stability and Friction Properties of Soft Organosilica Networks for Solid Lubrication

    Directory of Open Access Journals (Sweden)

    Pablo Gonzalez Rodriguez

    2018-01-01

    Full Text Available In view of their possible application as high temperature solid lubricants, the tribological and thermochemical properties of several organosilica networks were investigated over a range of temperatures between 25 and 580 °C. Organosilica networks, obtained from monomers with terminal and bridging organic groups, were synthesized by a sol-gel process. The influence of carbon content, crosslink density, rotational freedom of incorporated hydrocarbon groups, and network connectivity on the high temperature friction properties of the polymer was studied for condensed materials from silicon alkoxide precursors with terminating organic groups, i.e., methyltrimethoxysilane, propyltrimethoxysilane, diisopropyldimethoxysilane, cyclohexyltrimethoxysilane, phenyltrimethoxysilane and 4-biphenylyltriethoxysilane networks, as well as precursors with organic bridging groups between Si centers, i.e., 1,4-bis(triethoxysilylbenzene and 4,4′-bis(triethoxysilyl-1,1′-biphenyl. Pin-on-disc measurements were performed using all selected solid lubricants. It was found that materials obtained from phenyltrimethoxysilane and cyclohexyltrimethoxysilane precursors showed softening above 120 °C and performed best in terms of friction reduction, reaching friction coefficients as low as 0.01. This value is lower than that of graphite films (0.050 ± 0.005, a common bench mark for solid lubricants.

  10. Theory of decoherence in Bose-Einstein condensate interferometry

    International Nuclear Information System (INIS)

    Dalton, B J

    2007-01-01

    A full treatment of decoherence and dephasing effects in BEC interferometry has been developed based on using quantum correlation functions for treating interferometric effects. The BEC is described via a phase space distribution functional of the Wigner type for the condensate modes and the positive P type for the non-condensate modes. Ito equations for stochastic condensate and non-condensate field functions replace the functional Fokker-Planck equation for the distribution functional and stochastic averages of field function products determine the quantum correlation functions

  11. Responses of Mixed-Phase Cloud Condensates and Cloud Radiative Effects to Ice Nucleating Particle Concentrations in NCAR CAM5 and DOE ACME Climate Models

    Science.gov (United States)

    Liu, X.; Shi, Y.; Wu, M.; Zhang, K.

    2017-12-01

    Mixed-phase clouds frequently observed in the Arctic and mid-latitude storm tracks have the substantial impacts on the surface energy budget, precipitation and climate. In this study, we first implement the two empirical parameterizations (Niemand et al. 2012 and DeMott et al. 2015) of heterogeneous ice nucleation for mixed-phase clouds in the NCAR Community Atmosphere Model Version 5 (CAM5) and DOE Accelerated Climate Model for Energy Version 1 (ACME1). Model simulated ice nucleating particle (INP) concentrations based on Niemand et al. and DeMott et al. are compared with those from the default ice nucleation parameterization based on the classical nucleation theory (CNT) in CAM5 and ACME, and with in situ observations. Significantly higher INP concentrations (by up to a factor of 5) are simulated from Niemand et al. than DeMott et al. and CNT especially over the dust source regions in both CAM5 and ACME. Interestingly the ACME model simulates higher INP concentrations than CAM5, especially in the Polar regions. This is also the case when we nudge the two models' winds and temperature towards the same reanalysis, indicating more efficient transport of aerosols (dust) to the Polar regions in ACME. Next, we examine the responses of model simulated cloud liquid water and ice water contents to different INP concentrations from three ice nucleation parameterizations (Niemand et al., DeMott et al., and CNT) in CAM5 and ACME. Changes in liquid water path (LWP) reach as much as 20% in the Arctic regions in ACME between the three parameterizations while the LWP changes are smaller and limited in the Northern Hemispheric mid-latitudes in CAM5. Finally, the impacts on cloud radiative forcing and dust indirect effects on mixed-phase clouds are quantified with the three ice nucleation parameterizations in CAM5 and ACME.

  12. Thermochemical investigation into coordination ability of zinc and cadmium alkyl compounds in solutions

    International Nuclear Information System (INIS)

    Aleksandrov, Yu.A.; Fedostseva, G.A.; Tsvetkov, V.G.; Lebedev, S.A.; Kozyrkin, B.I.

    1983-01-01

    Enthalpies of zinc alkyl compounds mixing, as well as those of dimethyl cadmium mixing with hexane, previously used as a solvent during the study of liquid-phase autooxidation of Me 2 Cd and Me 2 Zn, and with a series of organic bases at 298 K and at components ratio 1:1 or 1:2, are determined. Using calorimetric method dimethyl cadmium association in liquid state has been evaluated. Coordination ability of zinc alkyl compounds is higher than for the corresponding cadmium compounds. With the increase of alkyl radical length the electron seeking ability of zinc compounds decreases. On the basis of thermochemical data relative stability of coordination compounds of zinc and cadmium alkyl compounds with certain alkyl compounds of group 6 elements is evaluated: it has the maximum value for sulfur compounds

  13. Thermochemical study of 1-acetyl vinyl p-nitrobenzoate: vinyl bond enthalpy in captodative olefins.

    Science.gov (United States)

    Rojas, Aarón; Valdés-Ordoñez, Alejandro; Martínez-Herrera, Melchor; Torres, Luis Alfonso; Campos, Myriam; Hernández-Obregón, Javier; Herrera, Rafael; Tamariz, Joaquín

    2015-05-21

    Captodative olefins are highly reactive and selective substrates in Diels-Alder and 1,3-dipolar cycloadditions. Seeking an explanation of this fact based on molecular energetics, the thermochemical analysis of 1-acetyl vinyl p-nitrobenzoate, a captodative olefin, has been performed using semi-micro-combustion calorimetry, effusion measurements through a quartz crystal microbalance, and differential scanning calorimetry. The molar standard combustion energy and enthalpy as well as the molar standard formation enthalpy are reported along with sublimation and melting enthalpies. From these data, experimental formation enthalpy of the gas-phase is derived and compared with the theoretical value calculated through the density functional theory procedure. The olefinic bond enthalpy is also computed from experimental data, and the relevance of the results is discussed.

  14. Condensed matter physics

    CERN Document Server

    Isihara, A

    2007-01-01

    More than a graduate text and advanced research guide on condensed matter physics, this volume is useful to plasma physicists and polymer chemists, and their students. It emphasizes applications of statistical mechanics to a variety of systems in condensed matter physics rather than theoretical derivations of the principles of statistical mechanics and techniques. Isihara addresses a dozen different subjects in separate chapters, each designed to be directly accessible and used independently of previous chapters. Topics include simple liquids, electron systems and correlations, two-dimensional

  15. Experimental thermochemical study of three monosubstituted pyrazines

    International Nuclear Information System (INIS)

    Ribeiro da Silva, Maria D.M.C.; Miranda, Margarida S.; Vaz, Claudia M.V.; Matos, M. Agostinha R.; Acree, W.E.

    2005-01-01

    The standard (p 0 = 0.1 MPa) molar enthalpies of formation of liquid pyrazinecarbonitrile and of crystalline pyrazinecarboxylic acid and pyrazinamide were measured, at T = 298.15 K, by static bomb calorimetry and the standard molar enthalpies of vaporization or of sublimation, at T 298.15 K, were obtained using Calvet microcalorimetry. These values were used to derive the respective standard molar enthalpies of formation in gaseous phase

  16. Assessment of a closed thermochemical energy storage using energy and exergy methods

    International Nuclear Information System (INIS)

    Abedin, Ali Haji; Rosen, Marc A.

    2012-01-01

    Highlights: ► Thermodynamics assessments are reported for a general closed thermochemical thermal energy storage system. ► Energy and exergy efficiencies of various processes in a closed thermochemical TES are evaluated and compared. ► Understanding is enhanced of thermochemical TES technologies and their potential implementations. ► Exergy analysis is observed to be useful when applied to thermochemical TES, with or in place of energy analysis. - Abstract: Thermal energy storage (TES) is an important technology for achieving more efficient and environmentally benign energy systems. Thermochemical TES is a type of TES with the potential for high energy density and is only recently being considered intensively. To improve understanding of thermochemical TES systems and their implementation, energy and exergy analyses are beneficial. Here, thermodynamics assessments are presented for a general closed thermochemical TES system, including assessments and comparisons of the efficiencies of the overall thermochemical TES cycle and its charging, storing and discharging processes. Locations and causes of thermodynamic losses in thermochemical TES systems are being specified using exergy analysis. The analytical methodology applied in this study identifies that energy and exergy efficiencies differ for thermochemical TESs, e.g. the energy efficiency for a case study is approximately 50% while the exergy efficiency is about 10%. Although the focus is to evaluate thermodynamic efficiencies, other design parameters such as cost, and environmental impact also need to be examined in assessing thermochemical storage. The efficiencies for thermochemical TES provided here should be helpful for designing these energy systems and enhancing their future prospects.

  17. Suppressing Ice Nucleation of Supercooled Condensate with Biphilic Topography

    Science.gov (United States)

    Hou, Youmin; Yu, Miao; Shang, Yuhe; Zhou, Peng; Song, Ruyuan; Xu, Xiaonan; Chen, Xuemei; Wang, Zuankai; Yao, Shuhuai

    2018-02-01

    Preventing or minimizing ice formation in supercooled water is of prominent importance in many infrastructures, transportation, and cooling systems. The overall phase change heat transfer on icephobic surfaces, in general, is intentionally sacrificed to suppress the nucleation of water and ice. However, in a condensation frosting process, inhibiting freezing without compromising the water condensation has been an unsolved challenge. Here we show that this conflict between anti-icing and efficient condensation cooling can be resolved by utilizing biphilic topography with patterned high-contrast wettability. By creating a varying interfacial thermal barrier underneath the supercooled condensate, the biphilic structures tune the nucleation rates of water and ice in the sequential condensation-to-freezing process. Our experimental and theoretical investigation of condensate freezing dynamics further unravels the correlation between the onset of droplet freezing and its characteristic radius, offering a new insight for controlling the multiphase transitions among vapor, water, and ice in supercooled conditions.

  18. Condensation on slippery asymmetric bumps

    Science.gov (United States)

    Park, Kyoo-Chul; Kim, Philseok; Grinthal, Alison; He, Neil; Fox, David; Weaver, James C.; Aizenberg, Joanna

    2016-03-01

    Controlling dropwise condensation is fundamental to water-harvesting systems, desalination, thermal power generation, air conditioning, distillation towers, and numerous other applications. For any of these, it is essential to design surfaces that enable droplets to grow rapidly and to be shed as quickly as possible. However, approaches based on microscale, nanoscale or molecular-scale textures suffer from intrinsic trade-offs that make it difficult to optimize both growth and transport at once. Here we present a conceptually different design approach—based on principles derived from Namib desert beetles, cacti, and pitcher plants—that synergistically combines these aspects of condensation and substantially outperforms other synthetic surfaces. Inspired by an unconventional interpretation of the role of the beetle’s bumpy surface geometry in promoting condensation, and using theoretical modelling, we show how to maximize vapour diffusion fluxat the apex of convex millimetric bumps by optimizing the radius of curvature and cross-sectional shape. Integrating this apex geometry with a widening slope, analogous to cactus spines, directly couples facilitated droplet growth with fast directional transport, by creating a free-energy profile that drives the droplet down the slope before its growth rate can decrease. This coupling is further enhanced by a slippery, pitcher-plant-inspired nanocoating that facilitates feedback between coalescence-driven growth and capillary-driven motion on the way down. Bumps that are rationally designed to integrate these mechanisms are able to grow and transport large droplets even against gravity and overcome the effect of an unfavourable temperature gradient. We further observe an unprecedented sixfold-higher exponent of growth rate, faster onset, higher steady-state turnover rate, and a greater volume of water collected compared to other surfaces. We envision that this fundamental understanding and rational design strategy can be

  19. The Dominant Snow-forming Process in Warm and Cold Mixed-phase Orographic Clouds: Effects of Cloud Condensation Nuclei and Ice Nuclei

    Science.gov (United States)

    Fan, J.; Rosenfeld, D.; Leung, L. R.; DeMott, P. J.

    2014-12-01

    Mineral dust aerosols often observed over California in winter and spring from long-range transport can be efficient ice nuclei (IN) and enhance snow precipitation in mixed-phase orographic clouds. On the other hand, local pollution particles can serve as good CCN and suppress warm rain, but their impacts on cold rain processes are uncertain. The main snow-forming mechanism in warm and cold mixed-phase orographic clouds (refer to as WMOC and CMOC, respectively) could be very different, leading to different precipitation response to CCN and IN. We have conducted 1-km resolution model simulations using the Weather Research and Forecasting (WRF) model coupled with a spectral-bin cloud microphysical model for WMOC and CMOC cases from CalWater2011. We investigated the response of cloud microphysical processes and precipitation to CCN and IN with extremely low to extremely high concentrations using ice nucleation parameterizations that connect with dust and implemented based on observational evidences. We find that riming is the dominant process for producing snow in WMOC while deposition plays a more important role than riming in CMOC. Increasing IN leads to much more snow precipitation mainly due to an increase of deposition in CMOC and increased rimming in WMOC. Increasing CCN decreases precipitation in WMOC by efficiently suppressing warm rain, although snow is increased. In CMOC where cold rain dominates, increasing CCN significantly increases snow, leading to a net increase in precipitation. The sensitivity of supercooled liquid to CCN and IN has also been analyzed. The mechanism for the increased snow by CCN and caveats due to uncertainties in ice nucleation parameterizations will be discussed.

  20. Syngas Production By Thermochemical Conversion Of H2o And Co2 Mixtures Using A Novel Reactor Design

    Energy Technology Data Exchange (ETDEWEB)

    Pearlman, Howard [Advanced Cooling Technologies, Inc, Lancaster, PA (United States); Chen, Chien-Hua [Advanced Cooling Technologies, Inc, Lancaster, PA (United States)

    2014-08-27

    The Department of Energy awarded Advanced Cooling Technologies, Inc. (ACT) an SBIR Phase II contract (#DE-SC0004729) to develop a high-temperature solar thermochemical reactor for syngas production using water and/or carbon dioxide as feedstocks. The technology aims to provide a renewable and sustainable alternative to fossil fuels, promote energy independence and mitigate adverse issues associated with climate change by essentially recycling carbon from carbon dioxide emitted by the combustion of hydrocarbon fuels. To commercialize the technology and drive down the cost of solar fuels, new advances are needed in materials development and reactor design, both of which are integral elements in this program.

  1. Modular invariant gaugino condensation

    Energy Technology Data Exchange (ETDEWEB)

    Gaillard, M.K.

    1991-05-09

    The construction of effective supergravity lagrangians for gaugino condensation is reviewed and recent results are presented that are consistent with modular invariance and yield a positive definite potential of the noscale type. Possible implications for phenomenology are briefly discussed. 29 refs.

  2. Bose-Einstein Condensation

    Indian Academy of Sciences (India)

    have quoted, London noted that at the density of liquid helium, the temperature for Bose-Einstein condensation of an ideal gas would be about three degrees above absolute zero.4 Liquid helium shows new properties below 2.1 degrees Kelvin [3]. London boldly suggested that these new properties were a consequence of ...

  3. Bose-Einstein Condensation

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 10; Issue 12. Bose-Einstein Condensation - Birds of a Feather Flock Together. Rajaram Nityananda. Volume 10 Issue 12 December 2005 pp 142-147. Fulltext. Click here to view fulltext PDF. Permanent link:

  4. Bose-Einstein Condensation

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 5; Issue 4. Bose–Einstein Condensation - Birds of a Feather Flock Together. Rajaram Nityananda. General Article Volume 5 Issue 4 April 2000 pp 46-51. Fulltext. Click here to view fulltext PDF. Permanent link:

  5. Bose-Einstein condensation

    Indian Academy of Sciences (India)

    Bose-Einstein Condensation. Vasant Natarajan is at the. Department of Physics,. Indian Institute of. Science. His current research involves trapping of atoms to carry out high precision tests of fundamental physics. He has earlier worked on high precision mass spectrom- etry and on the focussing of atomic beams by laser.

  6. Confinement contains condensates

    DEFF Research Database (Denmark)

    Brodsky, S. J.; Roberts, C. D.; Shrock, R.

    2012-01-01

    Dynamical chiral symmetry breaking and its connection to the generation of hadron masses has historically been viewed as a vacuum phenomenon. We argue that confinement makes such a position untenable. If quark-hadron duality is a reality in QCD, then condensates, those quantities that have common...... evidence and incidentally expose misconceptions in a recent Comment....

  7. Condensed matter physics

    International Nuclear Information System (INIS)

    1990-01-01

    This is a summary of condensed matter physics in Brazil. It discusses as well, the perspectives and financing evolved in this research area for the next decade. It is specially concerned with semiconductors, magnetic materials, superconductivity, polymers, glasses, crystals ceramics, statistical physics, magnetic resonance and Moessbauer spectroscopy. (A.C.A.S.)

  8. Electrons in Condensed Matter

    Indian Academy of Sciences (India)

    Electrons in Condensed Matter. T V Ramakrishnan. Introduction. A hundred years ago, J J Thomson tore light negatively charged particles out of many different kinds of atoms by subjecting them to strong electric fields in discharge tubes. He showed that the same particle (with identical charge e and charge to mass ratio ...

  9. Simple Simulations of DNA Condensation

    Energy Technology Data Exchange (ETDEWEB)

    STEVENS,MARK J.

    2000-07-12

    Molecular dynamics simulations of a simple, bead-spring model of semiflexible polyelectrolytes such as DNA are performed. All charges are explicitly treated. Starting from extended, noncondensed conformations, condensed structures form in the simulations with tetravalent or trivalent counterions. No condensates form or are stable for divalent counterions. The mechanism by which condensates form is described. Briefly, condensation occurs because electrostatic interactions dominate entropy, and the favored Coulombic structure is a charge ordered state. Condensation is a generic phenomena and occurs for a variety of polyelectrolyte parameters. Toroids and rods are the condensate structures. Toroids form preferentially when the molecular stiffness is sufficiently strong.

  10. Bose-Einstein condensation of atomic gases

    International Nuclear Information System (INIS)

    Anglin, J. R.; Ketterle, W.

    2003-01-01

    The early experiments on Bose-Einstein condensation in dilute atomic gases accomplished three longstanding goals. First, cooling of neutral atoms into their motional state, thus subjecting them to ultimate control, limited only by Heisenberg uncertainty relation. Second, creation of a coherent sample of atoms, in which all occupy the same quantum states, and the realization of atom lasers - devices that output coherent matter waves. And third, creation of gaseous quantum fluid, with properties that are different from the quantum liquids helium-3 and helium-4. The field of Bose-Einstein condensation of atomic gases has continued to progress rapidly, driven by the combination of new experimental techniques and theoretical advances. The family of quantum degenerate gases has grown, and now includes metastable and fermionic atoms. condensates have become an ultralow-temperature laboratory for atom optics, collisional physics and many-body physics, encompassing phonons, superfluidity, quantized vortices, Josephson junctions and quantum phase transitions. (author)

  11. How isopolyanions self-assemble and condense into a 2D tungsten oxide crystal: HRTEM imaging of atomic arrangement in an intermediate new hexagonal phase

    Science.gov (United States)

    Chemseddine, A.; Bloeck, U.

    2008-10-01

    The structure and structural evolution of tungstic acid solutions, sols and gels are investigated by high-resolution electron microscopy (HRTEM). Acidification of sodium tungstate solutions, through a proton exchange resin, is achieved in a way that ensures homogeneity in size and shape of intermediate polytungstic species. Gelation is shown to involve polycondensation followed by a self-assembling process of polytungstic building blocks leading to sheets with a layered hexagonal structure. Single layers of this new metastable phase are composed of three-, four- and six-membered rings of WO 6 octahedra located in the same plane. This is the first time that a 2D oxide crystal is isolated and observed by direct atomic resolution. Further ageing and structural evolution leading to single sheets of 2D ReO 3-type structure is directly observed by HRTEM. Based on this atomic level imaging, a model for the formation of the oxide network structure involving a self-assembling process of tritungstic based polymeric chain is proposed. The presence of tritungstic groups and their packing in electrochromic WO 3 films made by different techniques is discussed.

  12. Vacancy-induced initial decomposition of condensed phase NTO via bimolecular hydrogen transfer mechanisms at high pressure: a DFT-D study.

    Science.gov (United States)

    Liu, Zhichao; Wu, Qiong; Zhu, Weihua; Xiao, Heming

    2015-04-28

    Density functional theory with dispersion-correction (DFT-D) was employed to study the effects of vacancy and pressure on the structure and initial decomposition of crystalline 5-nitro-2,4-dihydro-3H-1,2,4-triazol-3-one (β-NTO), a high-energy insensitive explosive. A comparative analysis of the chemical behaviors of NTO in the ideal bulk crystal and vacancy-containing crystals under applied hydrostatic compression was considered. Our calculated formation energy, vacancy interaction energy, electron density difference, and frontier orbitals reveal that the stability of NTO can be effectively manipulated by changing the molecular environment. Bimolecular hydrogen transfer is suggested to be a potential initial chemical reaction in the vacancy-containing NTO solid at 50 GPa, which is prior to the C-NO2 bond dissociation as its initiation decomposition in the gas phase. The vacancy defects introduced into the ideal bulk NTO crystal can produce a localized site, where the initiation decomposition is preferentially accelerated and then promotes further decompositions. Our results may shed some light on the influence of the molecular environments on the initial pathways in molecular explosives.

  13. A superheated Bose-condensed gas

    Science.gov (United States)

    Gaunt, Alexander L.; Fletcher, Richard J.; Smith, Robert P.; Hadzibabic, Zoran

    2013-05-01

    Our understanding of various states of matter usually relies on the assumption of thermodynamic equilibrium. However, the transitions between different phases of matter can be strongly affected by non-equilibrium phenomena. Here we demonstrate and explain an example of non-equilibrium stalling of a continuous, second-order phase transition. We create a superheated atomic Bose gas, in which a Bose-Einstein condensate (BEC) persists above the equilibrium critical temperature, Tc, if its coupling to the surrounding thermal bath is reduced by tuning interatomic interactions. For vanishing interactions the BEC persists in the superheated regime for a minute. However, if strong interactions are suddenly turned on, it rapidly boils away. Our observations can be understood within a two-fluid picture, treating the condensed and thermal components of the gas as separate equilibrium systems with a tunable inter-component coupling. We experimentally reconstruct a non-equilibrium phase diagram of our gas, and theoretically reproduce its main features.

  14. The NSF Condensed Matter Physics Program

    Science.gov (United States)

    Sokol, Paul

    The Condensed Matter Physics (CMP) program in the NSF Division of Materials Research (DMR) supports experimental, as well as combined experiment and theory projects investigating the fundamental physics behind phenomena exhibited by condensed matter systems. CMP is the largest Individual Investigator Award program in DMR and supports a broad portfolio of research spanning both hard and soft condensed matter. Representative research areas include: 1) phenomena at the nano- to macro-scale including: transport, magnetic, and optical phenomena; classical and quantum phase transitions; localization; electronic, magnetic, and lattice structure or excitations; superconductivity; topological insulators; and nonlinear dynamics. 2) low-temperature physics: quantum fluids and solids; 1D & 2D electron systems. 3) soft condensed matter: partially ordered fluids, granular and colloid physics, liquid crystals, and 4) understanding the fundamental physics of new states of matter as well as the physical behavior of condensed matter under extreme conditions e.g., low temperatures, high pressures, and high magnetic fields. In this talk I will review the current CMP portfolio and discuss future funding trends for the program. I will also describe recent activities in the program aimed at addressing the challenges facing current and future principal investigators.

  15. Thermochemical treatment of radioactive waste by using powder metal fuels

    International Nuclear Information System (INIS)

    Dmitriev, S.A.; Ojovan, M.I.; Karlina, O.K.

    2001-01-01

    Full text: A thermochemical approach was suggested for treating and conditioning specific streams of radioactive wastes for example spent ion exchange resins, mixed, organic or chlorine-containing radioactive waste as well as in order to decontaminate heavily contaminated surfaces. Conventional treatment methods of such waste encounters serious problems concerning complete destruction of organic molecules and possible emissions of radionuclides, heavy metals and chemically hazardous species or in case of contaminated materials - complete removal of contamination from surface. The thermochemical treatment of radioactive waste uses powdered metal fuels (PMF) that are specifically formulated for the waste composition and react chemically with the waste components. Thermochemical treatment technologies use the energy of chemical reactions in the mixture of waste with PMF to sustain both decomposition and synthesis processes as well as processes of isomorphic substitutions of hazardous elements into stable mineral forms. The composition of the PMF is designed in such a way as to minimise the release of hazardous components and radionuclides in the off gas and to confine the contaminants in the mineral or glass like final products. The thermochemical procedures allow decomposition of organic matter and capturing hazardous radionuclides and chemical species simultaneously. Thermochemical treatment technologies are very efficient, easy to apply, they have low capital investment and can be used both at large and small facilities. An advantage of thermochemical technologies is their autonomy. Thus these technologies can be successfully applied in order to treat small amount of waste without usage of complex and expensive equipment. They can be used also in emergency situations. Currently the thermochemical treatment technologies were developed and demonstrated to be feasible as follows: 1. Decontamination of surfaces; 2. Processing of organic waste; 3. Vitrification of dusty

  16. Statistical physics and condensed matter

    International Nuclear Information System (INIS)

    2003-01-01

    This document is divided into 4 sections: 1) General aspects of statistical physics. The themes include: possible geometrical structures of thermodynamics, the thermodynamical foundation of quantum measurement, transport phenomena (kinetic theory, hydrodynamics and turbulence) and out of equilibrium systems (stochastic dynamics and turbulence). The techniques involved here are typical of applied analysis: stability criteria, mode decomposition, shocks and stochastic equations. 2) Disordered, glassy and granular systems: statics and dynamics. The complexity of the systems can be studied through the structure of their phase space. The geometry of this phase space is studied in several works: the overlap distribution can now be computed with a very high precision; the boundary energy between low lying states does not behave like in ordinary systems; and the Edward's hypothesis of equi-probability of low lying metastable states is invalidated. The phenomenon of aging, characteristic of glassy dynamics, is studied in several models. Dynamics of biological systems or of fracture is shown to bear some resemblance with that of disordered systems. 3) Quantum systems. The themes include: mesoscopic superconductors, supersymmetric approach to strongly correlated electrons, quantum criticality and heavy fermion compounds, optical sum rule violation in the cuprates, heat capacity of lattice spin models from high-temperature series expansion, Lieb-Schultz-Mattis theorem in dimension larger than one, quantum Hall effect, Bose-Einstein condensation and multiple-spin exchange model on the triangular lattice. 4) Soft condensed matter and biological systems. Path integral representations are invaluable to describe polymers, proteins and self-avoiding membranes. Using these methods, problems as diverse as the titration of a weak poly-acid by a strong base, the denaturation transition of DNA or bridge-hopping in conducting polymers have been addressed. The problems of RNA folding has

  17. Influence of non condensable gases on condenser performance. Bibliographical study

    International Nuclear Information System (INIS)

    Phong, Vinh

    1970-09-01

    The author proposes a synthesis of a bibliographical study on condenser performance, and more particularly on the influence of non-condensables on these performance. He distinguishes experimental studies, and analytical or theoretical studies. As far as experimental studies are concerned, he discusses various factors: influence of the rate of non condensables and of scan rate, influence of condenser geometry, influence of the exchanged heat flow, influence of the operational pressure, empirical correlations. As far as analytical studies on the influence of non-condensables are concerned, the author discusses and comments diffusion laws, and some specific studies [fr

  18. Advanced Electrochemical Technologies for Hydrogen Production by Alternative Thermochemical Cycles

    Energy Technology Data Exchange (ETDEWEB)

    Lvov, Serguei; Chung, Mike; Fedkin, Mark; Lewis, Michele; Balashov, Victor; Chalkova, Elena; Akinfiev, Nikolay; Stork, Carol; Davis, Thomas; Gadala-Maria, Francis; Stanford, Thomas; Weidner, John; Law, Victor; Prindle, John

    2011-01-06

    Hydrogen fuel is a potentially major solution to the problem of climate change, as well as addressing urban air pollution issues. But a key future challenge for hydrogen as a clean energy carrier is a sustainable, low-cost method of producing it in large capacities. Most of the world's hydrogen is currently derived from fossil fuels through some type of reforming processes. Nuclear hydrogen production is an emerging and promising alternative to the reforming processes for carbon-free hydrogen production in the future. This report presents the main results of a research program carried out by a NERI Consortium, which consisted of Penn State University (PSU) (lead), University of South Carolina (USC), Tulane University (TU), and Argonne National Laboratory (ANL). Thermochemical water decomposition is an emerging technology for large-scale production of hydrogen. Typically using two or more intermediate compounds, a sequence of chemical and physical processes split water into hydrogen and oxygen, without releasing any pollutants externally to the atmosphere. These intermediate compounds are recycled internally within a closed loop. While previous studies have identified over 200 possible thermochemical cycles, only a few have progressed beyond theoretical calculations to working experimental demonstrations that establish scientific and practical feasibility of the thermochemical processes. The Cu-Cl cycle has a significant advantage over other cycles due to lower temperature requirements – around 530 °C and below. As a result, it can be eventually linked with the Generation IV thermal power stations. Advantages of the Cu-Cl cycle over others include lower operating temperatures, ability to utilize low-grade waste heat to improve energy efficiency, and potentially lower cost materials. Another significant advantage is a relatively low voltage required for the electrochemical step (thus low electricity input). Other advantages include common chemical agents and

  19. Research Status of Evaporative Condenser

    Science.gov (United States)

    Wang, Feifei; Yang, Yongan

    2018-02-01

    Reducing energy consumption, saving water resources, recycling cool water are main directions of China’s development. Evaporative condenser using latent heat reduces water resources waste, with energy-saving advantages. This paper reviews the research status of evaporative condenser at home and abroad, and introduces the principle, classification, various influencing factors of evaporative condenser, and puts forward the future research direction.

  20. New applications with time-dependent thermochemical simulation

    Energy Technology Data Exchange (ETDEWEB)

    Koukkari, P. [VTT Chemical Technology, Espoo (Finland); Laukkanen, L. [VTT Automation, Espoo (Finland); Penttilae, K. [Kemira Engineering Oy, Helsinki (Finland)

    1996-12-31

    A new method (RATEMIX) to calculate multicomponent chemical reaction mixtures as a series of sequential thermochemical states was recently introduced. The procedure combines multicomponent thermodynamics with chemical kinetics and may be used to simulate the multicomponent reactors as a thermochemical natural process. The method combines the desired reaction rates sequentially with constrained Gibbs energy minimization. The reactant concentrations are determined by the experimental (Arrhenius) rate laws. During the course of the given reaction the subsequent side reactions are supposed to occur reversibly. At every sequential stage of the given reaction the temperature and composition of the reaction mixture are calculated by a thermodynamic subroutine, which minimizes the Gibbs energy of the system and takes into account the heat transfer between the system and its surroundings. The extents of reaction are included as algorithmic constraints in the Gibbs energy minimization procedure. Initially, the reactants are introduced to the system as inert copies to match both the mass and energy balance of the reactive system. During the calculation the copies are sequentially interchanged to the actual reactants which allows one to simulate the time-dependent reaction route by using the thermochemical procedure. For each intermediate stage, the temperature and composition are calculated and as well numerical estimates of the thermodynamic functions are obtained. The method is applicable in processes where the core thermodynamic and kinetic data of the system are known and the time-dependent heat transfer data can either be measured or estimated by calculation. The method has been used to simulate e.g. high temperature flame reactions, zinc vapour oxidation and a counter-current rotary drum with chemical reactions. The procedure has today been tested with SOLGASMIX, CHEMSAGE and HSC programs. (author)

  1. Recovery of condensate water quality in power generator's surface condenser

    Science.gov (United States)

    Kurniawan, Lilik Adib

    2017-03-01

    In PT Badak NGL Plant, steam turbines are used to drive major power generators, compressors, and pumps. Steam exiting the turbines is condensed in surface condensers to be returned to boilers. Therefore, surface condenser performance and quality of condensate water are very important. One of the recent problem was caused by the leak of a surface condenser of Steam Turbine Power Generator. Thesteam turbine was overhauled, leaving the surface condenser idle and exposed to air for more than 1.5 years. Sea water ingress due to tube leaks worsens the corrosionof the condenser shell. The combination of mineral scale and corrosion product resulting high conductivity condensate at outlet condenser when we restarted up, beyond the acceptable limit. After assessing several options, chemical cleaning was the best way to overcome the problem according to condenser configuration. An 8 hour circulation of 5%wt citric acid had succeed reducing water conductivity from 50 μmhos/cm to below 5 μmhos/cm. The condensate water, then meets the required quality, i.e. pH 8.3 - 9.0; conductivity ≤ 5 μmhos/cm, therefore the power generator can be operated normally without any concern until now.

  2. Thermochemical Heat Storage: from Reaction Storage Density to System Storage Density

    NARCIS (Netherlands)

    Jong, A.J. de; Vliet, L.D. van; Hoegaerts, C.L.G.; Roelands, C.P.M.; Cuypers, R.

    2016-01-01

    Long-term and compact storage of solar energy is crucial for the eventual transition to a 100% renewable energy economy. For this, thermochemical materials provide a promising solution. The compactness of a long-term storage system is determined by the thermochemical reaction, operating conditions,

  3. Multi-scale visualization and characterization of lignocellulosic plant cell wall deconstruction during thermochemical pretreatment

    Science.gov (United States)

    Shishir P. S. Chundawat; Bryon S. Donohoe; Leonardo da Costa Sousa; Thomas Elder; Umesh P. Agarwal; Fachuang Lu; John Ralph; Michael E. Himmel; Venkatesh Balan; Bruce E. Dale

    2011-01-01

    Deconstruction of lignocellulosic plant cell walls to fermentable sugars by thermochemical and/or biological means is impeded by several poorly understood ultrastructural and chemical barriers. A promising thermochemical pretreatment called ammonia fiber expansion (AFEX) overcomes the native recalcitrance of cell walls through subtle morphological and physicochemical...

  4. Thermochemical data for reactor materials and fission products: The ECN database

    International Nuclear Information System (INIS)

    Cordfunke, E.H.P.; Konings, R.J.M.

    1993-02-01

    The activities of the authors regarding the compilation of a database of thermochemical properties for reactor materials and fission products is reviewed. The evaluation procedures and techniques are outlined and examples are given. In addition, examples of the use of thermochemical data for the application in the field of Nuclear Technology are given. (orig.)

  5. Preparation and Characterization of Sodium Sulfide Hydrates for Application in Thermochemical Storage Systems

    NARCIS (Netherlands)

    Roelands, C.P.M.; Cuypers, R.; Kruit, K.D.; Oversloot, H.P.; Jong, A.J. de; Duvalois, W.; Vliet, L. van; Hoegaerts, C.L.G.

    2015-01-01

    Bottlenecks for realizing a commercial system for thermochemical heat storage (TCS) with hygroscopic salts are the chemical, physical and mechanical stability of the salt under operation conditions. Hence, improved knowledge of thermochemical materials (TCMs) is critical to spur progress in TCS

  6. Methane-methanol cycle for the thermochemical production of hydrogen

    Science.gov (United States)

    Dreyfuss, Robert M.; Hickman, Robert G.

    1976-01-01

    A thermochemical reaction cycle for the generation of hydrogen from water comprising the following sequence of reactions wherein M represents a metal: CH.sub.4 + H.sub.2 O .fwdarw. CO + 3H.sub.2 (1) co + 2h.sub.2 .fwdarw. ch.sub.3 oh (2) ch.sub.3 oh + so.sub.2 + mo .fwdarw. mso.sub.4 + ch.sub.4 (3) mso.sub.4 .fwdarw. mo + so.sub.2 + 1/2o.sub.2 (4) the net reaction is the decomposition of water into hydrogen and oxygen.

  7. Stage efficiency in the analysis of thermochemical water decomposition processes

    Science.gov (United States)

    Conger, W. L.; Funk, J. E.; Carty, R. H.; Soliman, M. A.; Cox, K. E.

    1976-01-01

    The procedure for analyzing thermochemical water-splitting processes using the figure of merit is expanded to include individual stage efficiencies and loss coefficients. The use of these quantities to establish the thermodynamic insufficiencies of each stage is shown. A number of processes are used to illustrate these concepts and procedures and to demonstrate the facility with which process steps contributing most to the cycle efficiency are found. The procedure allows attention to be directed to those steps of the process where the greatest increase in total cycle efficiency can be obtained.

  8. High Efficiency Solar Thermochemical Reactor for Hydrogen Production.

    Energy Technology Data Exchange (ETDEWEB)

    McDaniel, Anthony H. [Sandia National Lab. (SNL-CA), Livermore, CA (United States)

    2017-09-30

    This research and development project is focused on the advancement of a technology that produces hydrogen at a cost that is competitive with fossil-based fuels for transportation. A twostep, solar-driven WS thermochemical cycle is theoretically capable of achieving an STH conversion ratio that exceeds the DOE target of 26% at a scale large enough to support an industrialized economy [1]. The challenge is to transition this technology from the laboratory to the marketplace and produce hydrogen at a cost that meets or exceeds DOE targets.

  9. Estimation of Uncertainles in Gas-Condensate Systems Reserves by Monte Carlo Simulation

    OpenAIRE

    Nagy Stanislaw; Siemek Jakub

    2004-01-01

    In the paper, an impact of improper condensate sampling on calculation of gas and condensate reserves of gas-condensate system is presented. The paper discusses probabilistic methods in reserves estimation (proven, possible, probable). The Peng-Robinson equation of state (EOS) has been used to calculations of phase properties. Sensitivity of CGR during recombination of stream process on liquid and gas reserves has been shown. The large error in estimation of condensate reserve has been obtain...

  10. Bibliographic Review about Solar Hydrogen Production Through Thermochemical Cycles; Revision Bibliografica sobre la Produccion de Hidrogeno Solar Mediante Ciclos Termoquimicos

    Energy Technology Data Exchange (ETDEWEB)

    Fernandez Saavedra, R.

    2007-12-28

    This report presents a summary of the different thermical processes used to obtain hydrogen through solar energy, paying more attention to the production of hydrogen from water through thermochemical cycles. In this aspect, it is briefly described the most interesting thermochemical cycles, focusing on thermochemical cycles based on oxides. (Author) 25 refs.

  11. Bibliographic Review about Solar Hydrogen Production Through Thermochemical Cycles; Revision Bibliografica sobre la Produccion de Hidrogeno Solar Mediante Ciclos Termoquimicos

    Energy Technology Data Exchange (ETDEWEB)

    Fernandez Saavedra, R.

    2008-08-06

    This report presents a summary of the different thermical processes used to obtain hydrogen through solar energy, paying more attention to the production of hydrogen from water through thermochemical cycles. In this aspect, it is briefly y described the most interesting thermochemical cycles, focusing on thermochemical cycles based on oxides. (Author) 25 refs.

  12. Perspectives of advanced thermal management in solar thermochemical syngas production using a counter-flow solid-solid heat exchanger

    Science.gov (United States)

    Falter, Christoph; Sizmann, Andreas; Pitz-Paal, Robert

    2017-06-01

    A modular reactor model is presented for the description of solar thermochemical syngas production involving counter-flow heat exchangers that recuperate heat from the solid phase. The development of the model is described including heat diffusion within the reactive material as it travels through the heat exchanger, which was previously identified to be a possibly limiting factor in heat exchanger design. Heat transfer within the reactive medium is described by conduction and radiation, where the former is modeled with the three-resistor model and the latter with the Rosseland diffusion approximation. The applicability of the model is shown by the analysis of heat exchanger efficiency for different material thicknesses and porosities in a system with 8 chambers and oxidation and reduction temperatures of 1000 K and 1800 K, respectively. Heat exchanger efficiency is found to rise strongly for a reduction of material thickness, as the element mass is reduced and a larger part of the elements takes part in the heat exchange process. An increase of porosity enhances radiation heat exchange but deteriorates conduction. The overall heat exchange in the material is improved for high temperatures in the heat exchanger, as radiation dominates the energy transfer. The model is shown to be a valuable tool for the development and analysis of solar thermochemical reactor concepts involving heat exchange from the solid phase.

  13. Thermochemical stability of Li-Cu-O ternary compounds stable at room temperature analyzed by experimental and theoretical methods

    Energy Technology Data Exchange (ETDEWEB)

    Lepple, Maren [Karlsruhe Institute of Technology, Eggenstein-Leopoldshafen (Germany). Inst. for Applied Materials - Applied Materials Physics; Technische Univ. Darmstadt (Germany). Eduard-Zintl-Inst. of Inorganic and Physical Chemistry; Rohrer, Jochen; Albe, Karsten [Technische Univ. Darmstadt (Germany). Fachgebiet Materialmodellierung; Adam, Robert; Rafaja, David [Technical Univ. Freiberg (Germany). Inst. of Materials Science; Cupid, Damian M. [Karlsruhe Institute of Technology, Eggenstein-Leopoldshafen (Germany). Inst. for Applied Materials - Applied Materials Physics; Austrian Institute of Technology GmbH, Vienna (Austria). Center for Low-Emission Transport TECHbase; Seifert, Hans J. [Karlsruhe Institute of Technology, Eggenstein-Leopoldshafen (Germany). Inst. for Applied Materials - Applied Materials Physics

    2017-11-15

    Compounds in the Li-Cu-O system are of technological interest due to their electrochemical properties which make them attractive as electrode materials, i.e., in future lithium ion batteries. In order to select promising compositions for such applications reliable thermochemical data are a prerequisite. Although various groups have investigated individual ternary phases using different experimental setups, up to now, no systematic study of all relevant phases is available in the literature. In this study, we combine drop solution calorimetry with density function theory calculations to systematically investigate the thermodynamic properties of ternary Li-Cu-O phases. In particular, we present a consistently determined set of enthalpies of formation, Gibbs energies and heat capacities for LiCuO, Li{sub 2}CuO{sub 2} and LiCu{sub 2}O{sub 2} and compare our results with existing literature.

  14. Magnetic behavior of MnPS3 phases intercalated by [Zn2L]2+ (LH2: macrocyclic ligand obtained by condensation of 2-hydroxy-5-methyl-1,3-benzenedicarbaldehyde and 1,2-diaminobenzene)

    International Nuclear Information System (INIS)

    Spodine, E.; Valencia-Galvez, P.; Fuentealba, P.; Manzur, J.; Ruiz, D.; Venegas-Yazigi, D.; Paredes-Garcia, V.; Cardoso-Gil, R.; Schnelle, W.; Kniep, R.

    2011-01-01

    The intercalation of the cationic binuclear macrocyclic complex [Zn 2 L] 2+ (LH 2 : macrocyclic ligand obtained by the template condensation of 2-hydroxy-5-methyl-1,3-benzenedicarbaldehyde and 1,2-diaminobenzene) was achieved by a cationic exchange process, using K 0.4 Mn 0.8 PS 3 as a precursor. Three intercalated materials were obtained and characterized: (Zn 2 L) 0.05 K 0.3 Mn 0.8 PS 3 (1), (Zn 2 L) 0.1 K 0.2 Mn 0.8 PS 3 (2) and (Zn 2 L) 0.05 K 0.3 Mn 0.8 PS 3 (3), the latter phase being obtained by an assisted microwave radiation process. The magnetic data permit to estimate the Weiss temperature θ of ∼-130 K for (1); ∼-155 K for (2) and ∼-130 K for (3). The spin canting present in the potassium precursor remains unperturbed in composite (3), and spontaneous magnetization is observed under 50 K in both materials. However composites (1) and (2) do not present this spontaneous magnetization at low temperatures. The electronic properties of the intercalates do not appear to be significantly altered. The reflectance spectra of the intercalated phases (1), (2) and (3) show a gap value between 1.90 and 1.80 eV, lower than the value observed for the K 0.4 Mn 0.8 PS 3 precursor of 2.8 eV. -- Graphical Abstract: Microwave assisted synthesis was used to obtain an intercalated MnPS 3 phase with a binuclear Zn(II) macrocyclic complex. A comparative magnetic study of the composites obtained by assisted microwave and traditional synthetic methods is reported. Display Omitted Highlights: → A rapid and efficient preparation of intercalated MnPS 3 composites by assisted microwave synthesis is described. → The exchange of potassium ions of the precursor by the macrocyclic Zn(II) complex is partial. → The composite obtained by assisted microwave synthesis retains the spontaneous magnetization, observed in the low temperature range of the magnetic susceptibility of the potassium precursor. → The materials obtained by the conventional method loose the spontaneous

  15. Thermochemical conversion of microalgal biomass into biofuels: a review.

    Science.gov (United States)

    Chen, Wei-Hsin; Lin, Bo-Jhih; Huang, Ming-Yueh; Chang, Jo-Shu

    2015-05-01

    Following first-generation and second-generation biofuels produced from food and non-food crops, respectively, algal biomass has become an important feedstock for the production of third-generation biofuels. Microalgal biomass is characterized by rapid growth and high carbon fixing efficiency when they grow. On account of potential of mass production and greenhouse gas uptake, microalgae are promising feedstocks for biofuels development. Thermochemical conversion is an effective process for biofuel production from biomass. The technology mainly includes torrefaction, liquefaction, pyrolysis, and gasification. Through these conversion technologies, solid, liquid, and gaseous biofuels are produced from microalgae for heat and power generation. The liquid bio-oils can further be upgraded for chemicals, while the synthesis gas can be synthesized into liquid fuels. This paper aims to provide a state-of-the-art review of the thermochemical conversion technologies of microalgal biomass into fuels. Detailed conversion processes and their outcome are also addressed. Copyright © 2014 Elsevier Ltd. All rights reserved.

  16. Ability of thermochemical calculation to treat organic peroxides

    Science.gov (United States)

    Osmont, Antoine; Baudin, Gérard; Genetier, Marc

    2017-06-01

    Since 3 years, the CEA Gramat is developing a new thermochemical code, called SIAME, funded by DGA to help French defense industry at conceiving new explosives compositions. It enables the calculation of CJ detonation and deflagration points and combustion of explosives. The accuracy of the code has been checked on several compositions containing PETN, RDX, HMX, TNT, NTO. The error on the velocity of detonation is 3%. To enlarge the domain of validity of the code, organic peroxides have been considered. It is known that thermochemical simulation is in failure regarding compounds as simple as hydrogen peroxide. The computed velocity of detonation is 5720 m/s when shock planar impact gives 6150 m/s. The same discrepancy is found for TATP, with a calculated value at 5870 m/s when 5290 has been measured. Detonation velocity of TATP has been measured at two different densities. These velocities agree with other published values. A closer look at the enthalpy of formation of TATP has revealed that it comes from an article of 1932. Ab initio computations have given a totally different value, leading to better agreement with experiment.

  17. Solar hydrogen production with cerium oxides thermochemical cycle

    Science.gov (United States)

    Binotti, Marco; Di Marcoberardino, Gioele; Biassoni, Mauro; Manzolini, Giampaolo

    2017-06-01

    This paper discusses the hydrogen production using a solar driven thermochemical cycle. The thermochemical cycle is based on nonstoichiometric cerium oxides redox and the solar concentration system is a solar dish. Detailed optical and redox models were developed to optimize the hydrogen production performance as function of several design parameters (i.e. concentration ratio, reactor pressures and temperatures) The efficiency of the considered technology is compared against two commercially available technologies namely PV + electrolyzer and Dish Stirling + electrolyzer. Results show that solar-to-fuel efficiency of 21.2% can be achieved at design condition assuming a concentration ratio around 5000, reduction and oxidation temperatures of 1500°C and 1275 °C. When moving to annual performance, the annual yield of the considered approach can be as high as 16.7% which is about 43% higher than the best competitive technology. The higher performance implies that higher installation costs around 40% can be accepted for the innovative concept to achieve the same cost of hydrogen.

  18. Inflation induced by Gravitino Condensation in Supergravity

    CERN Document Server

    Ellis, John

    2013-01-01

    We discuss the emergence of an inflationary phase in supergravity with the super-Higgs effect due to dynamical spontaneous breaking of supersymmetry, in which the role of the inflaton is played by the gravitino condensate. Realistic models compatible with the Planck satellite CMB data are found in conformal supergravity scenarios with dynamical gravitino masses that are small compared to the Planck mass, as could be induced by a non-trivial vacuum expectation value of the dilaton superfield of appropriate magnitude.

  19. Towards the renewal of the NEA Thermochemical Database

    International Nuclear Information System (INIS)

    Ragoussi, Maria-Eleni; Costa, Davide; Bossant, Manuel

    2015-01-01

    The Thermochemical Database (TDB) Project was created three decades ago as a joint undertaking of the NEA Radioactive Waste Management Committee and the NEA Data Bank. The project involves the collection of high-quality and traceable thermochemical data for a set of elements (mainly minor actinides and fission products) relevant to geophysical modelling of deep geological repositories. Funding comes from 15 participating organisations, primarily national nuclear waste authorities and research institutions. The quantities that are stored in the TDB database are: the standard molar Gibbs energy and enthalpy of formation, the standard molar entropy and, when available, the heat capacity at constant pressure, together with their uncertainty intervals. Reaction data are also provided: equilibrium constant of reaction, molar Gibbs energy of reaction, molar enthalpy of reaction and molar entropy of reaction. Data assessment is carried out by teams of expert reviewers through an in-depth analysis of the available scientific literature, following strict guidelines defined by the NEA to ensure the accuracy and self-consistency of the adopted datasets. Thermochemical data that has been evaluated and selected over the years have been published in the 13 volumes of the Chemical Thermodynamics series. They are also stored in a database that is updated each time the study of a new element is completed. The TDB selected data are made available to external third parties through the NEA web site where data extracted from the database can be displayed and downloaded as plain text files. Following recent recommendations of the Task Force on the Future Programme of the NEA Data Bank to enhance scientific expertise and user services, a renewal of the software managing the TDB database is being undertaken. The software currently used was designed 20 years ago and is becoming obsolete. Redesigning the application will provide an opportunity to correct current shortcomings and to develop

  20. Electron correlation in molecules and condensed phases

    CERN Document Server

    March, N H

    1996-01-01

    This reference describes the latest research on correlation effects in the multicenter problems of atoms, molecules, and solids The author utilizes first- and second-order matrices, including the important observable electron density rho(r), and the Green function for discussing quantum computer simulations With its focus on concepts and theories, this volume will benefit experimental physicists, materials scientists, and physical and inorganic chemists as well as graduate students

  1. Condensed Matter Nuclear Science

    Science.gov (United States)

    Biberian, Jean-Paul

    2006-02-01

    1. General. A tribute to gene Mallove - the "Genie" reactor / K. Wallace and R. Stringham. An update of LENR for ICCF-11 (short course, 10/31/04) / E. Storms. New physical effects in metal deuterides / P. L. Hagelstein ... [et al.]. Reproducibility, controllability, and optimization of LENR experiments / D. J. Nagel -- 2. Experiments. Electrochemistry. Evidence of electromagnetic radiation from Ni-H systems / S. Focardi ... [et al.]. Superwave reality / I. Dardik. Excess heat in electrolysis experiments at energetics technologies / I. Dardik ... [et al.]. "Excess heat" during electrolysis in platinum/K[symbol]CO[symbol]/nickel light water system / J. Tian ... [et al.]. Innovative procedure for the, in situ, measurement of the resistive thermal coefficient of H(D)/Pd during electrolysis; cross-comparison of new elements detected in the Th-Hg-Pd-D(H) electrolytic cells / F. Celani ... [et al.]. Emergence of a high-temperature superconductivity in hydrogen cycled Pd compounds as an evidence for superstoihiometric H/D sites / A. Lipson ... [et al.]. Plasma electrolysis. Calorimetry of energy-efficient glow discharge - apparatus design and calibration / T. B. Benson and T. O. Passell. Generation of heat and products during plasma electrolysis / T. Mizuno ... [et al.]. Glow discharge. Excess heat production in Pd/D during periodic pulse discharge current in various conditions / A. B. Karabut. Beam experiments. Accelerator experiments and theoretical models for the electron screening effect in metallic environments / A. Huke, K. Czerski, and P. Heide. Evidence for a target-material dependence of the neutron-proton branching ratio in d+d reactions for deuteron energies below 20keV / A. Huke ... [et al.]. Experiments on condensed matter nuclear events in Kobe University / T. Minari ... [et al.]. Electron screening constraints for the cold fusion / K. Czerski, P. Heide, and A. Huke. Cavitation. Low mass 1.6 MHz sonofusion reactor / R. Stringham. Particle detection. Research

  2. Enhanced Hydrothermal Stability and Catalytic Activity of La x Zr y O z Mixed Oxides for the Ketonization of Acetic Acid in the Aqueous Condensed Phase

    Energy Technology Data Exchange (ETDEWEB)

    Lopez-Ruiz, Juan A. [Energy and Environment Directorate, Pacific Northwest National Laboratory, 902 Battelle Boulevard, Richland, Washington 99352, United States; Cooper, Alan R. [Energy and Environment Directorate, Pacific Northwest National Laboratory, 902 Battelle Boulevard, Richland, Washington 99352, United States; Li, Guosheng [Energy and Environment Directorate, Pacific Northwest National Laboratory, 902 Battelle Boulevard, Richland, Washington 99352, United States; Albrecht, Karl O. [Energy and Environment Directorate, Pacific Northwest National Laboratory, 902 Battelle Boulevard, Richland, Washington 99352, United States

    2017-08-24

    Common ketonization catalysts such as ZrO2, CeO2, CexZryOz, and TiO2-based catalysts have been reported to lose surface area, undergo phase-transformation, and lose catalytic activity when utilized in the condensed aqueous phase. In this work, we synthesized and tested a series of LaxZryOz mixed metal oxides with different La:Zr atomic ratios with the goal of enhancing the catalytic activity and stability for the ketonization of acetic acid in condensed aqueous media at 568 K. We synthesized a hydrothermally stable LaxZryOz mixed-metal oxide catalyst with enhanced ketonization activities 360 and 40 times more active than La2O3 and ZrO2, respectively. Catalyst characterization techniques suggest that the formation of a hydrothermally stable catalyst which is isomorphic with tetragonal-ZrO2 under hydrothermal reaction conditions.

  3. Topology in Condensed Matter

    CERN Document Server

    Monastyrsky, M I

    2006-01-01

    This book reports new results in condensed matter physics for which topological methods and ideas are important. It considers, on the one hand, recently discovered systems such as carbon nanocrystals and, on the other hand, new topological methods used to describe more traditional systems such as the Fermi surfaces of normal metals, liquid crystals and quasicrystals. The authors of the book are renowned specialists in their fields and present the results of ongoing research, some of it obtained only very recently and not yet published in monograph form.

  4. From the X-rays to a reliable “low cost” computational structure of caffeic acid: DFT, MP2, HF and integrated molecular dynamics-X-ray diffraction approach to condensed phases

    Science.gov (United States)

    Lombardo, Giuseppe M.; Portalone, Gustavo; Colapietro, Marcello; Rescifina, Antonio; Punzo, Francesco

    2011-05-01

    The ability of caffeic acid to act as antioxidant against hyperoxo-radicals as well as its recently found therapeutic properties in the treatment of hepatocarcinoma, still make this compound, more than 20 years later the refinement of its crystal structure, object of study. It belongs to the vast family of humic substances, which play a key role in the biodegradation processes and easily form complexes with ions widely diffused in the environment. This class of compounds is therefore interesting for potential environmental chemistry applications concerning the possible complexation of heavy metals. Our study focused on the characterization of caffeic acid as a starting necessary step, which will be followed in the future by the application of our findings on the study of the properties of caffeate anion interaction with heavy metal ions. To reach this goal, we applied a low cost approach - in terms of computational time and resources - aimed at the achievement of a high resolution, robust and trustable structure using the X-ray single crystal data, recollected with a higher resolution, as touchstone for a detailed check. A comparison between the calculations carried out with density functional theory (DFT), Hartree-Fock (HF) method and post SCF second order Møller-Plesset perturbation method (MP2), at the 6-31G ** level of the theory, molecular mechanics (MM) and molecular dynamics (MD) was performed. As a consequence we explained on one hand the possible reasons for the pitfalls of the DFT approach and on the other the benefits of using a good and robust force field developed for condensed phases, as AMBER, with MM and MD. The reliability of the latter, highlighted by the overall agreement extended up to the anisotropic displacement parameters calculated by means of MD and the ones gathered by X-ray measurements, makes it very promising for the above-mentioned goals.

  5. Ice condenser experimental plan

    International Nuclear Information System (INIS)

    Kannberg, L.D.; Piepel, G.F.; Owczarski, P.C.; Liebetrau, A.M.

    1986-01-01

    An experimental plan is being developed to validate the computer code ICEDF. The code was developed to estimate the extent of aerosol retention in the ice compartments of pressurized water reactor ice condenser containment systems during severe accidents. The development of the experimental plan began with review of available information on the conditions under which the code will be applied. Computer-generated estimates of thermohydraulic and aerosol conditions entering the ice condenser were evaluated and along with other information, used to generate design criteria. The design criteria have been used for preliminary test assembly design and for generation of statistical test designs. Consideration of the phenomena to be evaluated in the testing program, as well as equipment and measurement limitations, have led to changes in the design criteria and to subsequent changes in the test assembly design and statistical test design. The overall strategy in developing the experimental plan includes iterative generation and evaluation of candidate test designs using computer codes for statistical test design and ICEDF for estimation of experimental results. Estimates of experimental variability made prior to actual testing will be verified by replicate testing at preselected design points

  6. Gravitino Condensates in the Early Universe and Inflation

    CERN Document Server

    Mavromatos, Nick E

    2015-01-01

    We review work on the formation of gravitino condensates via the super-Higgs effect in the early Universe. This is a scenario for both inflating the early universe and breaking local supersymmetry (supergravity), entirely independent of any coupling to external matter. The goldstino mode associated with the breaking of (global) supersymmetry is "eaten" by the gravitino field, which becomes massive (via its own vacuum condensation) and breaks the local supersymmetry (supergravity) dynamically. The most natural association of gravitino condensates with inflation proceeds in an indirect way, via a Starobinsky-inflation-type phase. The higher-order curvature corrections of the (quantum) effective action of gravitino condensates induced by integrating out massive gravitino degrees of freedom in a curved space-time background, in the broken-supergravity phase, are responsible for inducing a scalar mode which inflates the Universe. The scenario is in agreement with Planck data phenomenology in a natural and phenomen...

  7. Research, Development, and Field Testing of Thermochemical Recuperation for High Temperature Furnace

    Energy Technology Data Exchange (ETDEWEB)

    Kurek, Harry; Kozlov, Aleksandr

    2014-03-31

    Gas Technology Institute (GTI) evaluated the technical and economic feasibility of utilizing a non-catalytic ThermoChemical Recuperation System (TCRS) to recover a significant amount of energy from the waste gases of natural gas fired steel reheat furnaces. The project was related to DOE-AMO’s (formerly known as ITP) one of the technical areas of interest: Technologies to improve energy efficiency and reduce the carbon footprint of equipment currently used in energy-intensive industries such as iron and steel, and reduce by at least 30% energy consumption and carbon dioxide emission compared to the conventional technologies. ThermoChemical Recuperation (TCR) is a technique that recovers sensible heat in the exhaust gas from an industrial process, furnace, engine etc., when a hydrocarbon fuel is used for combustion. TCR enables waste heat recovery by both combustion air preheat and hydrocarbon fuel (natural gas, for example) reforming into a higher calorific fuel. The reforming process uses hot flue gas components (H2O and CO2) or steam to convert the fuel into a combustible mixture of hydrogen (H2), carbon monoxide (CO), and some unreformed hydrocarbons (CnHm). Reforming of natural gas with recycled exhaust gas or steam can significantly reduce fuel consumption, CO2 emissions and cost as well as increase process thermal efficiency. The calorific content of the fuel can be increased by up to ~28% with the TCR process if the original source fuel is natural gas. In addition, the fuel is preheated during the TCR process adding sensible heat to the fuel. The Research and Development work by GTI was proposed to be carried out in three Phases (Project Objectives). • Phase I: Develop a feasibility study consisting of a benefits-derived economic evaluation of a ThermoChemical Recuperation (TCR) concept with respect to high temperature reheat furnace applications within the steel industry (and cross-cutting industries). This will establish the design parameters and

  8. Electrochemical & Thermochemical Behavior of Cerium(IV) Oxide delta

    Science.gov (United States)

    Chueh, William C.

    The mixed-valent nature of nonstoichiometric ceria (CeO2-delta ) gives rise to a wide range of intriguing properties, such as mixed ionic and electronic conduction and oxygen storage. Surface and transport behavior in rare-earth (samaria) doped and undoped ceria were investigated, with particular emphasis on applications in electrochemical and thermochemical energy conversion processes such as fuel cells and solar fuel production. The electrochemical responses of bulk-processed ceria with porous Pt and Au electrodes were analyzed using 1-D and 2-D transport models to decouple surface reactions, near-surface transport and bulk transport. Combined experimental and numerical results indicate that hydrogen electro-oxidation and hydrolysis near open-circuit conditions occur preferentially over the ceria | gas interface rather than over the ceria | gas | metal interface, with the rate-limiting step likely to be either surface reaction or transport through the surface oxygen vacancy depletion layer. In addition, epitaxial thin films of ceria were grown on zirconia substrates using pulsed-laser deposition to examine electrocatalysis over well-defined microstructures. Physical models were derived to analyze the electrochemical impedance response. By varying the film thickness, interfacial and chemical capacitance were decoupled, with the latter shown to be proportional to the small polaron densities. The geometry of microfabricated metal current collectors (metal = Pt, Ni) was also systematically varied to investigate the relative activity of the ceria | gas and the ceria | metal | gas interfaces. The data suggests that the electrochemical activity of the metal-ceria composite is only weakly dependent on the metal due to the relatively high activity of the ceria | gas interface. In addition to electrochemical experiments, thermochemical reduction-oxidation studies were performed on ceria. It was shown that thermally-reduced ceria, upon exposure to H 2O and/or CO2, can be

  9. Balance and saving of GHG emissions in thermochemical biorefineries

    International Nuclear Information System (INIS)

    Haro, Pedro; Aracil, Cristina; Vidal-Barrero, Fernando; Ollero, Pedro

    2015-01-01

    Highlights: • A simplified methodology for the balance and saving of GHG emissions is provided. • The GHG balance has a physical meaning and does not depend on the fossil reference. • The GHG saving depends on regulation of energy carriers. • The impact of Bio-CCS incorporation and multiproduction is analyzed. • The co-production of chemicals needs to be included in future regulation. - Abstract: In this study, a simplified methodology for the calculation of the balance of greenhouse gas (GHG) emissions and corresponding saving compared with the fossil reference is presented. The proposed methodology allows the estimation of the anthropogenic GHG emissions of thermochemical biorefineries (net emitted to the atmosphere). In the calculation of the GHG balance, all relevant factors have been identified and analyzed including multiproduction, emissions from biogenic carbon capture and storage (Bio-CCS), co-feeding of fossil fuels (secondary feedstock) and possible carbon storage in biomass-derived products (chemicals). Therefore, it is possible to calculate the balance of GHG emissions of a hypothetical thermochemical biorefinery considering different alternatives of land-use, biomass feedstock, co-feeding of fossil fuels, Bio-CCS incorporation and final use of the products. The comparison of the estimated GHG balance with the corresponding fossil reference for each product is of special relevance in the methodology since it is the parameter used in European regulation for the fulfillment of sustainability criteria in biomass-derived fuels and liquids. The proposed methodology is tested using a previously assessed set of different process concepts of thermochemical biorefineries (techno-economic analysis). The resulting GHG balance and saving are analyzed to identify uncertainties and provide recommendations for future regulation. In all process concepts, the GHG savings are above the minimum requirement of GHG emissions for 2018. In the case of incorporating

  10. Electronic Pumping of Quasiequilibrium Bose-Einstein-Condensed Magnons

    OpenAIRE

    Bender, Scott A.; Duine, Rembert A.; Tserkovnyak, Yaroslav

    2012-01-01

    We theoretically investigate spin transfer between a system of quasiequilibrated Bose-Einstein-condensed magnons in an insulator in direct contact with a conductor. While charge transfer is prohibited across the interface, spin transport arises from the exchange coupling between insulator and conductor spins. In a normal insulator phase, spin transport is governed solely by the presence of thermal and spin-diffusive gradients; the presence of Bose-Einstein condensation (BEC), meanwhile, gives...

  11. Ferminoic physics in dipolariton condensates.

    Science.gov (United States)

    Su, Jung-Jung; Kim, Na Young; Yamamoto, Yoshihisa; Macdonald, Allan H

    2014-03-21

    An exciton polariton is an extremely light bosonic quasiparticle that is composed of an exciton and a photon. We report on a theoretical study of exciton-polariton condensation in a system with tunnel-coupled quantum wells. Because their excitons can carry an electric dipole moment, these systems have been referred to as dipolariton condensates. We use a fermionic mean-field theory that can address quantum well and other internal exciton degrees of freedom to describe the new physics present in dipolariton condensates. We find that the role of underlying fermonic degrees of freedom is enhanced and predict that metallic condensates can occur at high carrier densities.

  12. A study on the thermo-chemical is process

    International Nuclear Information System (INIS)

    Saburo Shimizu; Hayato Nakajima; Shinji Kubo; Kaoru Onuki; Gab-Jin Hwang; Shunichi Higashi; Shintaro Ishiyama; Masatoshi Futakawa; Ikuo Ioka; Yuji Kurata; Norio Akino; Makoto Sakurai

    2001-01-01

    The present status of R and D at Japan Atomic Energy Research Institute on thermo-chemical IS process for large-scale hydrogen production is described. Following the successful demonstration of continuous hydrogen production by the process in laboratory, studies are being carried out on three topics, which is scheduled until 2004. First, a new glass-made apparatus is now being assembled in order to demonstrate hydrogen production under more efficient conditions and to acquire knowledge of the closed-cycle operation technique. Second, a process improvement using membrane technologies is under study for the hydrogen production step. Thirdly, selection and/or development of construction materials for scale-up are under study, mainly from the viewpoint of corrosion resistance. (author)

  13. THERMOCHEMICAL CALCULATIONS USING SERVICEORIENTED ARCHITECTURE IN THE WEB SERVICE FORM

    Directory of Open Access Journals (Sweden)

    Pavel Horovčák

    2018-02-01

    Full Text Available The subject of this article is the service-oriented architecture utilization in the design and implementation of a web service that is intended to perform selected thermochemical calculations for chemical reactions. Computing functions allow the chemical reaction calculations, such as molar heat capacity, enthalpy, entropy and Gibbs free energy. In the next part, there is a description of each function, the method of service calling in the client application and the structure specification of outputs and error states of the service. In addition to computing functions, the web service also has a group of three information functions that characterize the purpose of the web service and its parameters, provide in tabular form a list of all web service functions and a list of all error states of the web service. The final section describes the presentation web service application with a demonstration of the specific calculations, the possibilities of using the service, and a further solution treatment.

  14. Probabilistic thermo-chemical analysis of a pultruded composite rod

    DEFF Research Database (Denmark)

    Baran, Ismet; Tutum, Cem Celal; Hattel, Jesper Henri

    2012-01-01

    In the present study the deterministic thermo-chemical pultrusion simulation of a composite rod taken from the literature [7] is used as a validation case. The predicted centerline temperature and cure degree profiles of the rod match well with those in the literature [7]. Following the validation...... case, the probabilistic design of the pultrusion process, which has not been considered until now, is performed. The effect of statistical variations in the material (i.e. fiber and resin) and resin kinetic properties, as well as process parameters such as pulling speed and inlet temperature...... on the product quality (degree of cure) are examined by means of Monte Carlo Simulation (MCS) with Latin Hypercube Sampling (LHS) technique. The variations in the activation energy as well as the density of the resin are found to have a strong influence on the centerline degree of cure at the exit whereas...

  15. Characteristics of thermochemical treated EN10090 X50 steel

    International Nuclear Information System (INIS)

    Schmitz, S.; Graf, K.; Scheid, A.; Moreno, A.

    2014-01-01

    EN10090 X50 steel is commonly used for engine valves to withstand severe operation conditions involving high temperature and corrosion from fuel and combustion gas. Usually, to enhance wear performance, valves undergo nitriding thermochemical treatment by salt baths. The aim of this work is to produce diffusion layers at least 20μm thick with hardness higher than 700HV by plasma surface treatment with no continuous compounds layer using nitrogen and methane based atmospheres. Samples were characterized by laser Confocal and scanning electron microscopy, X-ray diffraction and Vickers hardness. Salt bath treatment induced formation of undesirable compounds layer at the surface and a diffusion layer thicker than 40μm, with hardness arising 1280HV 0,010 . Plasma surface treatment produced diffusion layer thicker than 40μm with no continuous compounds layer and mean hardness varying from 750 to 960HV 0,010 . (author)

  16. Environmental requirements in thermochemical and biochemical conversion of biomass

    International Nuclear Information System (INIS)

    Frings, R.M.; Mackie, K.L.; Hunter, I.R.

    1992-01-01

    Many biological and thermochemical processing options exist for the conversion of biomass to fuels. Commercially, these options are assessed in terms of fuel product yield and quality. However, attention must also be paid to the environmental aspects of each technology so that any commercial plant can meet the increasingly stringent environmental legislation in the world today. The environmental aspects of biological conversion (biogasification and bioliquefaction) and thermal conversion (high pressure liquefaction, flash pyrolysis, and gasification) are reviewed. Biological conversion processes are likely to generate waste streams which are more treatable than those from thermal conversion processes but the available data for thermal liquefaction are very limited. Close attention to waste minimisation is recommended and processing options that greatly reduce or eliminate waste streams have been identified. Product upgrading and its effect on wastewater quality also requires attention. Emphasis in further research studies needs to be placed on providing authentic waste streams for environmental assessment. (author)

  17. Positronium hydride defects in thermochemically reduced alkaline-Earth oxides

    International Nuclear Information System (INIS)

    Monge, M.A.; Pareja, R.; Gonzalez, R.; Chen, Y.

    1997-01-01

    Thermochemical reduction of both hydrogen-doped MgO and CaO single crystals results in large concentrations of hydride (H - ) ions. In MgO crystals, positron lifetime and Doppler broadening experiments show that positrons are trapped at H - centers forming positronium hydride molecules [e + - H - ]. A value of 640 ps is obtained for the lifetime of the PsH states located in an anion vacancy In MgO positrons are also trapped at H 2- sites at low temperatures. The H 2- ions were induced in the crystals by blue light illumination. The formation of PsH states in CaO could not be conclusively established. (orig.)

  18. Microgravity condensing heat exchanger

    Science.gov (United States)

    Thomas, Christopher M. (Inventor); Ma, Yonghui (Inventor); North, Andrew (Inventor); Weislogel, Mark M. (Inventor)

    2011-01-01

    A heat exchanger having a plurality of heat exchanging aluminum fins with hydrophilic condensing surfaces which are stacked and clamped between two cold plates. The cold plates are aligned radially along a plane extending through the axis of a cylindrical duct and hold the stacked and clamped portions of the heat exchanging fins along the axis of the cylindrical duct. The fins extend outwardly from the clamped portions along approximately radial planes. The spacing between fins is symmetric about the cold plates, and are somewhat more closely spaced as the angle they make with the cold plates approaches 90.degree.. Passageways extend through the fins between vertex spaces which provide capillary storage and communicate with passageways formed in the stacked and clamped portions of the fins, which communicate with water drains connected to a pump externally to the duct. Water with no entrained air is drawn from the capillary spaces.

  19. Nagra thermochemical data base. II. Supplement data 05/92

    International Nuclear Information System (INIS)

    Pearson, F.J.; Berner, U.; Hummel, W.

    1992-05-01

    Chemical thermodynamic data for aqueous species, minerals, and gases are required by Nagra for geochemical modelling. The Nagra thermochemical data base contains core and supplemental data. Core data for well-characterised entities were individually carefully selected and given by Pearson and Berner (1991). Supplemental data are for less common entities and for elements principally of safety assessment concern. They were selected in groups from other data bases for geochemical modelling and did not receive individual scrutiny. This report gives tables with the Nagra thermochemical data as of 5/92. It includes the core data described in the earlier report with supplemental data for the elements aluminium, silicon, iron, and manganese, the actinides thorium, uranium, neptunium, plutonium, and americium, and elements found as fission or activation products in nuclear waste, including nickel, zirconium, niobium, molybdenum, technetium, palladium, tin, selenium and iodine. Aqueous complexes of four representative organic anions are also included. The sources of these supplemental data are described in the text. Other compilations of data were examined during the selection on the supplemental data. These included the data bases used at the Paul Scherrer Institut with the geochemical programs MINEQL as of 3/91, PHREEQE as of 4/91, and the HATCHES 3.0 data base. This report also gives tables comparing selected data in these three data bases with values from the Nagra data base. This data base has not yet been tested for a full range of nuclear waste management applications, although such work is in progress. It should thus be regarded as a reference fixed point for quality assurance purpose and not critically reviewed standard. (author) tabs., refs

  20. Nuclear Production of Hydrogen Using Thermochemical Water-Splitting Cycles

    International Nuclear Information System (INIS)

    Brown, L.C.; Besenbruch, G.E.; Schultz, K.R.; Marshall, A.C.; Showalter, S.K.; Pickard, P.S.; Funk, J.F.

    2002-01-01

    The purpose of this work is to determine the potential for efficient, cost-effective, large-scale production of hydrogen utilizing high-temperature heat from an advanced nuclear power station in a thermochemical water-splitting cycle. We carried out a detailed literature search to create a searchable database with 115 cycles and 822 references. We developed screening criteria to reduce the list to 25 cycles. We used detailed evaluation to select two cycles that appear most promising, the Adiabatic UT-3 cycle and the Sulfur-Iodine cycle. We have selected the Sulfur-Iodine thermochemical water-splitting cycle for further development. We then assessed the suitability of various nuclear reactor types to the production of hydrogen from water using the Sulfur-Iodine cycle. A basic requirement is to deliver heat to the process interface heat exchanger at temperatures up to 900 deg. C. We considered nine categories of reactors: pressurized water-cooled, boiling water-cooled, organic-cooled, alkali metal-cooled, heavy metal-cooled, gas-cooled, molten salt-cooled, liquid-core and gas-core reactors. We developed requirements and criteria to carry out the assessment, considering design, safety, operational, economic and development issues. This assessment process led to our choice of the helium gas-cooled reactor for coupling to the Sulfur-Iodine cycle. In continuing work, we are investigating the improvements that have been proposed to the Sulfur-Iodine cycle and will generate an integrated flowsheet describing a hydrogen production plant powered by a high-temperature helium gas-cooled nuclear reactor. This will allow us to size process equipment and calculate hydrogen production efficiency and capital cost, and to estimate the cost of the hydrogen produced as a function of nuclear reactor cost. (authors)

  1. Bose-Einstein Condensation

    International Nuclear Information System (INIS)

    Jaksch, D

    2003-01-01

    The Gross-Pitaevskii equation, named after one of the authors of the book, and its large number of applications for describing the properties of Bose-Einstein condensation (BEC) in trapped weakly interacting atomic gases, is the main topic of this book. In total the monograph comprises 18 chapters and is divided into two parts. Part I introduces the notion of BEC and superfluidity in general terms. The most important properties of the ideal and the weakly interacting Bose gas are described and the effects of nonuniformity due to an external potential at zero temperature are studied. The first part is then concluded with a summary of the properties of superfluid He. In Part II the authors describe the theoretical aspects of BEC in harmonically trapped weakly interacting atomic gases. A short and rather rudimentary chapter on collisions and trapping of atomic gases which seems to be included for completeness only is followed by a detailed analysis of the ground state, collective excitations, thermodynamics, and vortices as well as mixtures of BECs and the Josephson effect in BEC. Finally, the last three chapters deal with topics of more recent interest like BEC in optical lattices, low dimensional systems, and cold Fermi gases. The book is well written and in fact it provides numerous useful and important relations between the different properties of a BEC and covers most of the aspects of ultracold weakly interacting atomic gases from the point of view of condensed matter physics. The book contains a comprehensive introduction to BEC for physicists new to the field as well as a lot of detail and insight for those already familiar with this area. I therefore recommend it to everyone who is interested in BEC. Very clearly however, the intention of the book is not to provide prospects for applications of BEC in atomic physics, quantum optics or quantum state engineering and therefore the more practically oriented reader might sometimes wonder why exactly an equation is

  2. Condensation Mechanism of Hydrocarbon Field Formation.

    Science.gov (United States)

    Batalin, Oleg; Vafina, Nailya

    2017-08-31

    Petroleum geology explains how hydrocarbon fluids are generated, but there is a lack of understanding regarding how oil is expelled from source rocks and migrates to a reservoir. To clarify the process, the multi-layer Urengoy field in Western Siberia was investigated. Based on this example, we have identified an alternative mechanism of hydrocarbon field formation, in which oil and gas accumulations result from the phase separation of an upward hydrocarbon flow. There is evidence that the flow is generated by the gases released by secondary kerogen destruction. This study demonstrates that oil components are carried by the gas flow and that when the flow reaches a low-pressure zone, it condenses into a liquid with real oil properties. The transportation of oil components in the gas flow provides a natural explanation for the unresolved issues of petroleum geology concerning the migration process. The condensation mechanism can be considered as the main process of oil field formation.

  3. Synfuels from fusion: producing hydrogen with the Tandem Mirror Reactor and thermochemical cycles

    International Nuclear Information System (INIS)

    Werner, R.W.; Ribe, F.L.

    1981-01-01

    This volume contains the following sections: (1) the Tandem Mirror fusion driver, (2) the Cauldron blanket module, (3) the flowing microsphere, (4) coupling the reactor to the process, (5) the thermochemical cycles, and (6) chemical reactors and process units

  4. Thermochemical Erosion Modeling of the 25-MM M242/M791 Gun System

    National Research Council Canada - National Science Library

    Sopok, Samuel

    1997-01-01

    The MACE gun barrel thermochemical erosion modeling code addresses wall degradations due to transformations, chemical reactions, and cracking coupled with pure mechanical erosion for the 25-mm M242/M791 gun system...

  5. Synfuels from fusion: producing hydrogen with the Tandem Mirror Reactor and thermochemical cycles

    Energy Technology Data Exchange (ETDEWEB)

    Werner, R.W.; Ribe, F.L.

    1981-01-21

    This volume contains the following sections: (1) the Tandem Mirror fusion driver, (2) the Cauldron blanket module, (3) the flowing microsphere, (4) coupling the reactor to the process, (5) the thermochemical cycles, and (6) chemical reactors and process units. (MOW)

  6. NUCLEAR CONDENSATE AND HELIUM WHITE DWARFS

    International Nuclear Information System (INIS)

    Bedaque, Paulo F.; Berkowitz, Evan; Cherman, Aleksey

    2012-01-01

    We consider a high-density region of the helium phase diagram, where the nuclei form a Bose-Einstein condensate rather than a classical plasma or a crystal. Helium in this phase may be present in helium-core white dwarfs. We show that in this regime there is a new gapless quasiparticle not previously noticed, arising when the constraints imposed by gauge symmetry are taken into account. The contribution of this quasiparticle to the specific heat of a white dwarf core turns out to be comparable in a range of temperatures to the contribution from the particle-hole excitations of the degenerate electrons. The specific heat in the condensed phase is two orders of magnitude smaller than in the uncondensed plasma phase, which is the ground state at higher temperatures, and four orders of magnitude smaller than the specific heat that an ion lattice would provide, if formed. Since the specific heat of the core is an important input for setting the rate of cooling of a white dwarf star, it may turn out that such a change in the thermal properties of the cores of helium white dwarfs has observable implications.

  7. Ammonia Based Solar Thermochemical Energy Storage System for Direct Production of High Temperature Supercritical Steam

    OpenAIRE

    CHEN, CHEN

    2017-01-01

    In the field of solar thermochemical energy storage, ammonia synthesis/dissociation is feasible for practical use in the concentrating solar power industry. In ammonia-based solar thermochemical energy storage systems, the stored energy is released when the hydrogen (H2) and nitrogen (N2) react exothermically to synthesize ammonia (NH3), providing thermal energy to a power block for electricity generation. But ammonia synthesis has not yet been shown to reach temperatures consistent with the ...

  8. Materials considerations for the coupling of thermochemical hydrogen cycles to tandem mirror reactors

    International Nuclear Information System (INIS)

    Krikorian, O.H.

    1980-01-01

    Candidate materials are discussed and initial choices made for the critical elements in a liquid Li-Na Cauldron Tandem Mirror blanket and the General Atomic Sulfur-Iodine Cycle for thermochemical hydrogen production. V and Ti alloys provide low neutron activation, good radiation damage resistance, and good chemical compatibility for the Cauldron design. Aluminide coated In-800H and siliconized SiC are materials choices for heat exchanger components in the thermochemical cycle interface

  9. Stepwise Bose-Einstein Condensation in a Spinor Gas.

    Science.gov (United States)

    Frapolli, C; Zibold, T; Invernizzi, A; Jiménez-García, K; Dalibard, J; Gerbier, F

    2017-08-04

    We observe multistep condensation of sodium atoms with spin F=1, where the different Zeeman components m_{F}=0,±1 condense sequentially as the temperature decreases. The precise sequence changes drastically depending on the magnetization m_{z} and on the quadratic Zeeman energy q (QZE) in an applied magnetic field. For large QZE, the overall structure of the phase diagram is the same as for an ideal spin-1 gas, although the precise locations of the phase boundaries are significantly shifted by interactions. For small QZE, antiferromagnetic interactions qualitatively change the phase diagram with respect to the ideal case, leading, for instance, to condensation in m_{F}=±1, a phenomenon that cannot occur for an ideal gas with q>0.

  10. The influence of thermochemical convection on the fixity of mantle plumes

    Science.gov (United States)

    McNamara, Allen K.; Zhong, Shijie

    2004-05-01

    A general feature of both isochemical and thermochemical studies of mantle convection is that horizontal plume velocities tend to be smaller than typical convective velocities, however, it is not clear which system leads to a greater fixity of mantle plumes. We perform two- and three-dimensional numerical calculations and compare both thermochemical and isochemical cases with similar convective vigor to determine whether presence of a dense component in the mantle can lead to smaller ratios of horizontal plume velocity to surface velocity. We investigate different viscosity and density contrasts between chemical components in the thermochemical calculations, and we perform isochemical calculations with both free-slip and no-slip bottom boundary conditions. We then compare both visually and quantitatively the results of the thermochemical and isochemical calculations to determine which leads to greater plume fixity. We find that horizontal plume velocities for thermochemical calculations are similar to those from isochemical calculations with no-slip bottom boundary conditions. In addition, we find that plumes tend to be more fixed for isochemical cases with free-slip bottom boundary conditions for two-dimensional calculations, however, in three dimensions, we find that plume fixity is similar to that observed in thermochemical calculations.

  11. Estimation of Uncertainles in Gas-Condensate Systems Reserves by Monte Carlo Simulation

    Directory of Open Access Journals (Sweden)

    Nagy Stanislaw

    2004-09-01

    Full Text Available In the paper, an impact of improper condensate sampling on calculation of gas and condensate reserves of gas-condensate system is presented. The paper discusses probabilistic methods in reserves estimation (proven, possible, probable. The Peng-Robinson equation of state (EOS has been used to calculations of phase properties. Sensitivity of CGR during recombination of stream process on liquid and gas reserves has been shown. The large error in estimation of condensate reserve has been obtained. The impact of CGR error on the vapor phase reserve is small.

  12. Development of hydraulic analysis code for optimizing thermo-chemical is process reactors

    International Nuclear Information System (INIS)

    Terada, Atsuhiko; Hino, Ryutaro; Hirayama, Toshio; Nakajima, Norihiro; Sugiyama, Hitoshi

    2007-01-01

    The Japan Atomic Energy Agency has been conducting study on thermochemical IS process for water splitting hydrogen production. Based on the test results and know-how obtained through the bench-scale test, a pilot test plant, which has a hydrogen production performance of 30 Nm 3 /h, is being designed conceptually as the next step of the IS process development. In design of the IS pilot plant, it is important to make chemical reactors compact with high performance from the viewpoint of plant cost reduction. A new hydraulic analytical code has been developed for optimizing mixing performance of multi-phase flow involving chemical reactions especially in the Bunsen reactor. Complex flow pattern with gas-liquid chemical interaction involving flow instability will be characterized in the Bunsen reactor. Preliminary analytical results obtained with above mentioned code, especially flow patterns induced by swirling flow agreed well with that measured by water experiments, which showed vortex breakdown pattern in a simplified Bunsen reactor. (author)

  13. Thermochemical cycles for energy storage: Thermal decomposition of ZnCO sub 4 systems

    Energy Technology Data Exchange (ETDEWEB)

    Wentworth, W.E. (Houston Univ., TX (United States))

    1992-04-01

    The overall objective of our research has been to develop thermochemical cycles that can be used for energy storage. A specific cycle involving ammonium hydrogen sulfate (NH{sub 4}HSO{sub 4}) has been proposed. Each reaction in the proposed cycle has been examined experimentally. Emphasis has been placed on the basic chemistry of these reactions. In the concluding phase of this research, reported herein, we have shown that when NH{sub 4}HSO{sub 4} is mixed with ZnO and decomposed, the resulting products can be released stepwise (H{sub 2}A{sub (g)} at {approximately}163{degrees}C, NH{sub 3(g)} at 365--418{degrees}C, and a mixture of SO{sub 2(g)} and SO{sub 3(g)} at {approximately}900{degrees}C) and separated by controlling the reaction temperature. Side reactions do not appear to be significant and the respective yields are high as would be required for the successful use of this energy storage reaction in the proposed cycle. Thermodynamic, kinetic, and other reaction parameters have been measured for the various steps of the reaction. Finally we have completed a detailed investigation of one particular reaction: the thermal decomposition of zinc sulfate (ZnSO{sub 4}). We have demonstrated that this reaction can be accelerated and the temperature required reduced by the addition of excess ZnO, V{sub 2}A{sub 5} and possibly other metal oxides.

  14. Thermochemically evolved nanoplatelets of bismuth selenide with enhanced thermoelectric figure of merit

    Energy Technology Data Exchange (ETDEWEB)

    Ali, Zulfiqar; Cao, Chuanbao, E-mail: cbcao@bit.edu.cn; Butt, Faheem K.; Tahir, Muhammad; Tanveer, M.; Aslam, Imran; Rizwan, Muhammad; Idrees, Faryal; Khalid, Syed [Research Centre of Materials Science, School of Materials Science and Engineering, Beijing Institute of Technology, Beijing 100081 (China); Butt, Sajid [State Key Laboratory of New Ceramics and Fine Processing, School of Materials Science and Engineering, Tsinghua University, Beijing 100084 (China)

    2014-11-15

    We firstly present a simple thermochemical method to fabricate high-quality Bi{sub 2}Se{sub 3} nanoplatelets with enhanced figure of merit using elemental bismuth and selenium powders as precursors. The crystal structure of as synthesized products is characterized via X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS) and high resolution transmission electron microscopy (HRTEM) measurements. Morphological and chemical synthetic parameters are investigated through a series of experiments; thickness and composition of the platelets are well controlled in large scale production. Subsequently spark plasma sintering (SPS) is performed to fabricate n-type nanostructured bulk thermoelectric materials. Raman Spectroscopy of the two selected samples with approximately of 50 and 100 nm thicknesses shows three vibrational modes. The lower thickness sample exhibits the maximum red shift of about 2.17 cm{sup -1} and maximum broadening of about 10 cm{sup -1} by in-plane vibrational mode E{sup 2}{sub g}. The enhanced value of figure of merit ∼0.41 is obtained for pure phase bismuth selenide to the best of our knowledge. We observe metallic conduction behavior while semiconducting behavior for nanostructured bismuth selenide is reported elsewhere which could be due to different synthetic techniques adopted. These results clearly suggest that our adopted synthetic technique has profound effect on the electronic and thermoelectric transport properties of this material.

  15. Visualizing Lignin Coalescence and Migration Through Maize Cell Walls Following Thermochemical Pretreatment

    Energy Technology Data Exchange (ETDEWEB)

    Donohoe, B. S.; Decker, S. R.; Tucker, M. P.; Himmel, M. E.; Vinzant, T. B.

    2008-12-01

    Plant cell walls are composed primarily of cellulose, hemicelluloses, lignins, and pectins. Of these components, lignins exhibit unique chemistry and physiological functions. Although lignins can be used as a product feedstock or as a fuel, lignins are also generally seen as a barrier to efficient enzymatic breakdown of biomass to sugars. Indeed, many pretreatment strategies focus on removing a significant fraction of lignin from biomass to better enable saccharification. In order to better understand the fate of biomass lignins that remain with the solids following dilute acid pretreatment, we undertook a structural investigation to track lignins on and in biomass cell walls. SEM and TEM imaging revealed a range of droplet morphologies that appear on and within cell walls of pretreated biomass; as well as the specific ultrastructural regions that accumulate the droplets. These droplets were shown to contain lignin by FTIR, NMR, antibody labeling, and cytochemical staining. We provide evidence supporting the idea that thermochemical pretreatments reaching temperatures above the range for lignin phase transition cause lignins to coalesce into larger molten bodies that migrate within and out of the cell wall, and can redeposit on the surface of plant cell walls. This decompartmentalization and relocalization of lignins is likely to be at least as important as lignin removal in the quest to improve the digestibility of biomass for sugars and fuels production.

  16. Condensation of F-Actin by Dimensional Reduction

    Science.gov (United States)

    Bruinsma, Robijn; Christian, Cyron; Mueller, Kei; Bausch, Andreas; Wall, Wolfgang

    2012-02-01

    We present a Brownian Dynamics simulation of the equilibrium condensation of F-actin in the presence of linker molecules. The filaments are modeled as worm-like chains, using finite element analysis. At low linker concentrations, the systems forms a gel whose physical properties do not depend on the linker molecules. If the linker concentration is increased then for isotropic linkers only a single mode of condensation is encountered: bundle formation. If the linker molecules impose a preferential angle between F-actin filaments, then condensation takes place either into a either a hexatic or squaratic two-dimensional liquid crystal phase or into a heterogeneous cluster. Condensation is driven by competition between linker and filament entropy, which imposes dimensional reduction on the F-actin aggregate.

  17. Condenser retubing-criteria manual

    International Nuclear Information System (INIS)

    Impagliazzo, A.M.; Bell, R.J.; Curlett, P.L.; Gordon, H.L.

    1982-05-01

    The objective of this document is to provide engineering assistance to utilities involved in retubing steam surface condensers with corrosion-resistant materials, such as titanium, and the recently developed high alloy pit-resistant steels. Field tests and recent operating experience have shown titanium and at least one of the high alloy pit-resistant steels to be virtually immune to the usual forms of corrosion occurring in steam surface condensers. This, together with the trend toward elimination of copper alloys in the circulating water system, has caused many utilities to retube their condensers with these materials

  18. Bose condensation in (random traps

    Directory of Open Access Journals (Sweden)

    V.A. Zagrebnov

    2009-01-01

    Full Text Available We study a non-interacting (perfect Bose-gas in random external potentials (traps. It is shown that a generalized Bose-Einstein condensation in the random eigenstates manifests if and only if the same occurs in the one-particle kinetic-energy eigenstates, which corresponds to the generalized condensation of the free Bose-gas. Moreover, we prove that the amounts of both condensate densities are equal. This statement is relevant for justification of the Bogoliubov approximation} in the theory of disordered boson systems.

  19. Physics of hollow Bose-Einstein condensates

    Science.gov (United States)

    Padavić, Karmela; Sun, Kuei; Lannert, Courtney; Vishveshwara, Smitha

    2017-10-01

    Bose-Einstein condensate shells, while occurring in ultracold systems of coexisting phases and potentially within neutron stars, have yet to be realized in isolation on Earth due to the experimental challenge of overcoming gravitational sag. Motivated by the expected realization of hollow condensates by the space-based Cold Atomic Laboratory in microgravity conditions, we study a spherical condensate undergoing a topological change from a filled sphere to a hollow shell. We argue that the collective modes of the system show marked and robust signatures of this hollowing transition accompanied by the appearance of a new boundary. In particular, we demonstrate that the frequency spectrum of the breathing modes shows a pronounced depression as it evolves from the filled-sphere limit to the hollowing transition. Furthermore, when the center of the system becomes hollow surface modes show a global restructuring of their spectrum due to the availability of a new, inner, surface for supporting density distortions. We pinpoint universal features of this topological transition as well as analyse the spectral evolution of collective modes in the experimentally relevant case of a bubble-trap.

  20. Numerical Study of Condensation Heat Exchanger Design in a Subcooled Pool: Correlation Investigation

    International Nuclear Information System (INIS)

    Lee, Hee Joon; Ju, Yun Jae; Kang, Han Ok; Lee, Tae Ho; Park, Cheon Tae

    2012-01-01

    Generally the condensation heat exchanger has higher heat transfer coefficient compared to the single phase heat exchanger, so has been widely applied to the cooling systems of energy plant. Recently vertical or horizontal type condensation heat exchangers are being studied for the application to secondary passive cooling system of nuclear plants. Lee and Lee investigated the existing condensation correlation to the experiment for heat exchanger in saturated pool. They concluded Traviss' correlation showed most satisfactory results for the heat transfer coefficient and mass flow rate in a saturated water pool. In this study, a thermal sizing program of vertical condensation heat exchanger to design, TSCON(Thermal Sizing of CONdenser) was validated with the existing experimental data of condensation heat exchanger in a subcooled pool for pure steam condensation

  1. Condensation coefficient of water in a weak condensation state

    International Nuclear Information System (INIS)

    Kobayashi, Kazumichi; Watanabe, Shunsuke; Yamano, Daigo; Yano, Takeru; Fujikawa, Shigeo

    2008-01-01

    The condensation coefficient of water at a vapor-liquid interface is determined by combining shock tube experiments and numerical simulations of the Gaussian-BGK Boltzmann equation. The time evolution in thickness of a liquid film, which is formed on the shock tube endwall behind the shock wave reflected at the endwall, is measured with an optical interferometer consisting of the physical beam and the reference one. The reference beam is utilized to eliminate systematic noises from the physical beam. The growth rate of the film is evaluated from the measured time evolution and it is incorporated into the kinetic boundary condition for the Boltzmann equation. From a numerical simulation using the boundary condition, the condensation coefficient of water is uniquely deduced. The results show that, in a condition of weak condensation near a vapor-liquid equilibrium state, the condensation coefficient of water is almost equal to the evaporation coefficient estimated by molecular dynamics simulations near a vapor-liquid equilibrium state and it decreases as the system becomes a nonequilibrium state. The condensation coefficient of water is nearly identical with that of methanol [Mikami, S., Kobayashi, K., Ota, T., Fujikawa, S., Yano, T., Ichijo, M., 2006. Molecular gas dynamics approaches to interfacial phenomena accompanied with condensation. Exp. Therm. Fluid Sci. 30, 795-800].

  2. Condensation coefficient of water in a weak condensation state

    Science.gov (United States)

    Kobayashi, Kazumichi; Watanabe, Shunsuke; Yamano, Daigo; Yano, Takeru; Fujikawa, Shigeo

    2008-07-01

    The condensation coefficient of water at a vapor-liquid interface is determined by combining shock tube experiments and numerical simulations of the Gaussian-BGK Boltzmann equation. The time evolution in thickness of a liquid film, which is formed on the shock tube endwall behind the shock wave reflected at the endwall, is measured with an optical interferometer consisting of the physical beam and the reference one. The reference beam is utilized to eliminate systematic noises from the physical beam. The growth rate of the film is evaluated from the measured time evolution and it is incorporated into the kinetic boundary condition for the Boltzmann equation. From a numerical simulation using the boundary condition, the condensation coefficient of water is uniquely deduced. The results show that, in a condition of weak condensation near a vapor-liquid equilibrium state, the condensation coefficient of water is almost equal to the evaporation coefficient estimated by molecular dynamics simulations near a vapor-liquid equilibrium state and it decreases as the system becomes a nonequilibrium state. The condensation coefficient of water is nearly identical with that of methanol [Mikami, S., Kobayashi, K., Ota, T., Fujikawa, S., Yano, T., Ichijo, M., 2006. Molecular gas dynamics approaches to interfacial phenomena accompanied with condensation. Exp. Therm. Fluid Sci. 30, 795-800].

  3. Efficient, Long-Life Biocidal Condenser Project

    Data.gov (United States)

    National Aeronautics and Space Administration — Environmental control systems for manned lunar and planetary bases will require condensing heat exchangers to control humidity in manned modules. Condensing surfaces...

  4. Condenser assembly system for an appliance

    Energy Technology Data Exchange (ETDEWEB)

    Litch, Andrew David

    2017-10-17

    An appliance includes a compact condenser assembly formed with at least two separately and independently produced wire on tube condensers. Each of the at least two wire on tube condensers has a condenser inlet and a condenser outlet. The at least two wire on tube condensers are at least substantially locked and positioned in a matingly engaged configuration forming a compact condenser assembly. The at least two wire on tube condensers are configured to be operationally connected in at least one of a parallel configuration, a series configuration, a selectable configuration, and a bypass configuration.

  5. Steam generators, turbines, and condensers. Volume six

    International Nuclear Information System (INIS)

    Anon.

    1986-01-01

    Volume six covers steam generators (How steam is generated, steam generation in a PWR, vertical U-tube steam generators, once-through steam generators, how much steam do steam generators make?), turbines (basic turbine principles, impulse turbines, reaction turbines, turbine stages, turbine arrangements, turbine steam flow, steam admission to turbines, turbine seals and supports, turbine oil system, generators), and condensers (need for condensers, basic condenser principles, condenser arrangements, heat transfer in condensers, air removal from condensers, circulating water system, heat loss to the circulating water system, factors affecting condenser performance, condenser auxiliaries)

  6. The Solar Photosphere: Evidence for Condensed Matter

    Directory of Open Access Journals (Sweden)

    Robitaille P.-M.

    2006-04-01

    Full Text Available The stellar equations of state treat the Sun much like an ideal gas, wherein the photosphere is viewed as a sparse gaseous plasma. The temperatures inferred in the solar interior give some credence to these models, especially since it is counterintuitive that an object with internal temperatures in excess of 1 MK could be existing in the liquid state. Nonetheless, extreme temperatures, by themselves, are insufficient evidence for the states of matter. The presence of magnetic fields and gravity also impact the expected phase. In the end, it is the physical expression of a state that is required in establishing the proper phase of an object. The photosphere does not lend itself easily to treatment as a gaseous plasma. The physical evidence can be more simply reconciled with a solar body and a photosphere in the condensed state. A discussion of each physical feature follows: (1 the thermal spectrum, (2 limb darkening, (3 solar collapse, (4 the solar density, (5 seismic activity, (6 mass displacement, (7 the chromosphere and critical opalescence, (8 shape, (9 surface activity, (10 photospheric/coronal flows, (11 photospheric imaging, (12 the solar dynamo, and (13 the presence of Sun spots. The explanation of these findings by the gaseous models often requires an improbable combination of events, such as found in the stellar opacity problem. In sharp contrast, each can be explained with simplicity by the condensed state. This work is an invitation to reconsider the phase of the Sun.

  7. Decoherence effects in Bose-Einstein condensate interferometry I. General theory

    International Nuclear Information System (INIS)

    Dalton, B.J.

    2011-01-01

    Research highlights: → Theory of dephasing, decoherence effects for Bose-Einstein condensate interferometry. → Applies to single component, two mode condensate in double potential well. → Phase space theory using Wigner, positive P representations for condensate, non-condensate fields. → Stochastic condensate, non-condensate field equations and properties of noise fields derived. → Based on mean field theory with condensate modes given by generalised Gross-Pitaevskii equations. - Abstract: The present paper outlines a basic theoretical treatment of decoherence and dephasing effects in interferometry based on single component Bose-Einstein condensates in double potential wells, where two condensate modes may be involved. Results for both two mode condensates and the simpler single mode condensate case are presented. The approach involves a hybrid phase space distribution functional method where the condensate modes are described via a truncated Wigner representation, whilst the basically unoccupied non-condensate modes are described via a positive P representation. The Hamiltonian for the system is described in terms of quantum field operators for the condensate and non-condensate modes. The functional Fokker-Planck equation for the double phase space distribution functional is derived. Equivalent Ito stochastic equations for the condensate and non-condensate fields that replace the field operators are obtained, and stochastic averages of products of these fields give the quantum correlation functions that can be used to interpret interferometry experiments. The stochastic field equations are the sum of a deterministic term obtained from the drift vector in the functional Fokker-Planck equation, and a noise field whose stochastic properties are determined from the diffusion matrix in the functional Fokker-Planck equation. The stochastic properties of the noise field terms are similar to those for Gaussian-Markov processes in that the stochastic averages of

  8. Dissipative phenomena in condensed matter some applications

    CERN Document Server

    Dattagupta, Sushanta

    2004-01-01

    From the field of nonequilibrium statistical physics, this graduate- and research-level volume treats the modeling and characterization of dissipative phenomena. A variety of examples from diverse disciplines like condensed matter physics, materials science, metallurgy, chemical physics etc. are discussed. Dattagupta employs the broad framework of stochastic processes and master equation techniques to obtain models for a wide range of experimentally relevant phenomena such as classical and quantum Brownian motion, spin dynamics, kinetics of phase ordering, relaxation in glasses, dissipative tunneling. It provides a pedagogical exposition of current research material and will be useful to experimentalists, computational physicists and theorists.

  9. Bose-Einstein Condensation in Complex Networks

    Energy Technology Data Exchange (ETDEWEB)

    Bianconi, Ginestra; Barabasi, Albert-Laszlo

    2001-06-11

    The evolution of many complex systems, including the World Wide Web, business, and citation networks, is encoded in the dynamic web describing the interactions between the system's constituents. Despite their irreversible and nonequilibrium nature these networks follow Bose statistics and can undergo Bose-Einstein condensation. Addressing the dynamical properties of these nonequilibrium systems within the framework of equilibrium quantum gases predicts that the {open_quotes}first-mover-advantage,{close_quotes} {open_quotes}fit-get-rich,{close_quotes} and {open_quotes}winner-takes-all{close_quotes} phenomena observed in competitive systems are thermodynamically distinct phases of the underlying evolving networks.

  10. Bose-Einstein Condensation in Complex Networks

    International Nuclear Information System (INIS)

    Bianconi, Ginestra; Barabasi, Albert-Laszlo

    2001-01-01

    The evolution of many complex systems, including the World Wide Web, business, and citation networks, is encoded in the dynamic web describing the interactions between the system's constituents. Despite their irreversible and nonequilibrium nature these networks follow Bose statistics and can undergo Bose-Einstein condensation. Addressing the dynamical properties of these nonequilibrium systems within the framework of equilibrium quantum gases predicts that the 'first-mover-advantage,' 'fit-get-rich,' and 'winner-takes-all' phenomena observed in competitive systems are thermodynamically distinct phases of the underlying evolving networks

  11. Hidden Scale Invariance in Condensed Matter

    DEFF Research Database (Denmark)

    Dyre, J. C.

    2014-01-01

    . This means that the phase diagram becomes effectively one-dimensional with regard to several physical properties. Liquids and solids with isomorphs include most or all van der Waals bonded systems and metals, as well as weakly ionic or dipolar systems. On the other hand, systems with directional bonding...... (hydrogen bonds or covalent bonds) or strong Coulomb forces generally do not exhibit hidden scale invariance. The article reviews the theory behind this picture of condensed matter and the evidence for it coming from computer simulations and experiments...

  12. OPTIMAL EVAPORATING AND CONDENSING TEMPERATURES ...

    African Journals Online (AJOL)

    ORC) in a hot and humid environment. A theoretical procedure is proposed for the determination of the optimal evaporation temperature (OET) and optimal condensing temperature (OCT) of a subcritical ORC plant, which is based on ...

  13. Solar engineering - a condensed course

    Energy Technology Data Exchange (ETDEWEB)

    Broman, Lars

    2011-11-15

    The document represents the material covered in a condensed two-week course focusing on the most important thermal and PV solar energy engineering topics, while also providing some theoretical background.

  14. Thermochemical Properties, Reaction Paths and Kinetic Mechanism for Sulfur-Chloro Hydrocarbon Combustion: Part I: Thermochemistry and Pyrolysis of Chlorosulfides

    National Research Council Canada - National Science Library

    Montgomery, Christopher J; Bockelie, Michael J; Sarofim, Adel F; Lee, Jongwoo; Bozzelli, Joseph W

    2003-01-01

    Almost no data exists in the literature on thermochemical properties enthalpy of formation, entropy or heat capacities for chlorinated sulfur hydrocarbons and oxygenated intermediates in atmospheric...

  15. Testing of an advanced thermochemical conversion reactor system

    Energy Technology Data Exchange (ETDEWEB)

    1990-01-01

    This report presents the results of work conducted by MTCI to verify and confirm experimentally the ability of the MTCI gasification process to effectively generate a high-quality, medium-Btu gas from a wider variety of feedstock and waste than that attainable in air-blown, direct gasification systems. The system's overall simplicity, due to the compact nature of the pulse combustor, and the high heat transfer rates attainable within the pulsating flow resonance tubes, provide a decided and near-term potential economic advantage for the MTCI indirect gasification system. The primary objective of this project was the design, construction, and testing of a Process Design Verification System for an indirectly heated, thermochemical fluid-bed reactor and a pulse combustor an an integrated system that can process alternative renewable sources of energy such as biomass, black liquor, municipal solid waste and waste hydrocarbons, including heavy oils into a useful product gas. The test objectives for the biomass portion of this program were to establish definitive performance data on biomass feedstocks covering a wide range of feedstock qualities and characteristics. The test objectives for the black liquor portion of this program were to verify the operation of the indirect gasifier on commercial black liquor containing 65 percent solids at several temperature levels and to characterize the bed carbon content, bed solids particle size and sulfur distribution as a function of gasification conditions. 6 refs., 59 figs., 29 tabs.

  16. Environmental impacts of thermochemical biomass conversion. Final report

    International Nuclear Information System (INIS)

    Elliott, D.C.; Hart, T.R.; Neuenschwander, G.G.; McKinney, M.D.; Norton, M.V.; Abrams, C.W.

    1995-06-01

    Thermochemical conversion in this study is limited to fast pyrolysis, upgrading of fast pyrolysis oils, and gasification. Environmental impacts of all types were considered within the project, but primary emphasis was on discharges to the land, air, and water during and after the conversion processes. The project discussed here is divided into five task areas: (1) pyrolysis oil analysis; (2) hydrotreating of pyrolysis oil; (3) gas treatment systems for effluent minimization; (4) strategic analysis of regulatory requirements; and (5) support of the IEA Environmental Systems Activity. The pyrolysis oil task was aimed at understanding the oil contaminants and potential means for their removal. The hydrotreating task was undertaken to better define one potential means for both improving the quality of the oil but also removing contaminants from the oil. Within Task 3, analyses were done to evaluate the results of gasification product treatment systems. Task 4 was a review and collection of regulatory requirements which would be applicable to the subject processes. The IEA support task included input to and participation in the IEA Bioenergy activity which directly relates to the project subject. Each of these tasks is described along with the results. Conclusions and recommendations from the overall project are given

  17. Thermochemical data acquisition - Reactor safety programme 1988-1991

    International Nuclear Information System (INIS)

    Ball, R.G.J.; Rand, M.H.; Cordfunke, E.H.P.; Konings, R.J.M.

    1991-10-01

    Thermochemical data are required for specific fission product and reactor materials compounds in order to quantify the consequences of a severe accident within a light water reactor. Approximately 40 important compounds/systems have been identified for study for which thermodynamic data did not exist or were inadequate. Work is described on the analysis of approximately half of these systems. Experimental studies have been undertaken to determine the thermodynamic quantities of the following compounds : Cs 2 MoO 4 , CsBO 2 , Cs 2 RuO 4 , Cs 2 RuO 4 , Cs 2 Mno 4 , Cs 2 CrO 4 , Cs 2 TeO 3 ,Cs 2 Te, InI, InI 3 , In 2 I 6 , In 2 Te, Cd(OH) 2 , Cd(OH) 2 , TeO(OH) 2 ,CdI 2 , Cd 2 I 4 , Cs 2 CdI 4 , CsCdI 3 , Cs 2 CdI 4 , Cs 3 PO 4 and Cd-In-Ag. Critical assessments have been made on the following systems : In-I, In-Te, Cd-I, Sr-B-O and Ba-B-O. The thermodynamic quantities of these compounds have been calculated over the temperature range from 298 to 3000 K. The adoption of these data within appropriate modelling codes will allow the fission product species and transport to be predicted with greater confidence, thus providing more accurate assessments of the consequences of severe reactor accidents

  18. Environmental impacts of thermochemical biomass conversion. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Elliott, D.C.; Hart, T.R.; Neuenschwander, G.G.; McKinney, M.D.; Norton, M.V.; Abrams, C.W. [Pacific Northwest Lab., Richland, WA (United States)

    1995-06-01

    Thermochemical conversion in this study is limited to fast pyrolysis, upgrading of fast pyrolysis oils, and gasification. Environmental impacts of all types were considered within the project, but primary emphasis was on discharges to the land, air, and water during and after the conversion processes. The project discussed here is divided into five task areas: (1) pyrolysis oil analysis; (2) hydrotreating of pyrolysis oil; (3) gas treatment systems for effluent minimization; (4) strategic analysis of regulatory requirements; and (5) support of the IEA Environmental Systems Activity. The pyrolysis oil task was aimed at understanding the oil contaminants and potential means for their removal. The hydrotreating task was undertaken to better define one potential means for both improving the quality of the oil but also removing contaminants from the oil. Within Task 3, analyses were done to evaluate the results of gasification product treatment systems. Task 4 was a review and collection of regulatory requirements which would be applicable to the subject processes. The IEA support task included input to and participation in the IEA Bioenergy activity which directly relates to the project subject. Each of these tasks is described along with the results. Conclusions and recommendations from the overall project are given.

  19. Thermochemical liquefaction characteristics of microalgae in sub- and supercritical ethanol

    Energy Technology Data Exchange (ETDEWEB)

    You, Qiao; Chen, Liang [College of Environmental Science and Engineering, Hunan University, Changsha (China); Key Laboratory of Environment Biology and Pollution Control, Ministry of Education, Changsha (China)

    2011-01-15

    Thermochemical liquefaction characteristics of Spirulina, a kind of high-protein microalgae, were investigated with the sub- and supercritical ethanol as solvent in a 1000 mL autoclave. The influences of various liquefaction parameters on the yields of products (bio-oil and residue) from the liquefaction of Spirulina were studied, such as the reaction temperature (T), the S/L ratio (R{sub 1}, solid: Spirulina, liquid: ethanol), the solvent filling ratio (R{sub 2}) and the type and dosage of catalyst. Without catalyst, the bio-oil yields were in the range of 35.4 wt.% and 45.3 wt.% depending on the changes of T, R{sub 1} and R{sub 2}. And the bio-oil yields increased generally with increasing T and R{sub 2}, while the bio-oil yields reduced with increasing R{sub 1}. The FeS catalyst was certified to be an ideal catalyst for the liquefaction of Spirulina microalgae for its advantages on promoting bio-oil production and suppressing the formation of residue. The optimal dosage of catalyst (FeS) was ranging from 5-7 wt.%. The elemental analyses and FT-IR and GC-MS measurements for the bio-oils revealed that the liquid products have much higher heating values than the crude Spirulina sample and fatty acid ethyl ester compounds were dominant in the bio-oils, irrespective of whether catalyst was used. (author)

  20. Thermochemical hydrogen generation of indium oxide thin films

    Directory of Open Access Journals (Sweden)

    Taekyung Lim

    2017-03-01

    Full Text Available Development of alternative energy resources is an urgent requirement to alleviate current energy constraints. As such, hydrogen gas is gaining attention as a future alternative energy source to address existing issues related to limited energy resources and air pollution. In this study, hydrogen generation by a thermochemical water-splitting process using two types of In2O3 thin films was investigated. The two In2O3 thin films prepared by chemical vapor deposition (CVD and sputtering deposition systems contained different numbers of oxygen vacancies, which were directly related to hydrogen generation. The as-grown In2O3 thin film prepared by CVD generated a large amount of hydrogen because of its abundant oxygen vacancies, while that prepared by sputtering had few oxygen vacancies, resulting in low hydrogen generation. Increasing the temperature of the In2O3 thin film in the reaction chamber caused an increase in hydrogen generation. The oxygen-vacancy-rich In2O3 thin film is expected to provide a highly effective production of hydrogen as a sustainable and efficient energy source.

  1. Corrosion resistance of materials of construction for high temperature sulfuric acid service in thermochemical IS process. Alloy 800, Alloy 600, SUSXM15J1 and SiC

    International Nuclear Information System (INIS)

    Tanaka, Nobuyuki; Onuki, Kaoru; Shimizu, Saburo; Yamaguchi, Akihisa

    2006-01-01

    Exposure tests of candidate materials were carried out up to 1000 hr in the sulfuric acid environments of thermochemical hydrogen production IS process, focusing on the corrosion of welded portion and of crevice area. In the gas phase sulfuric acid decomposition condition at 850degC, welded samples of Alloy 800 and of Alloy 600 showed the same good corrosion resistance as the base materials. In the boiling condition of 95 wt% sulfuric acid solution, test sample of SiC showed the same good corrosion resistance. Also negligible corrosion was observed in crevice corrosion. (author)

  2. Thermochemical conversion of biomass storage covers to reduce ammonia emissions from dairy manure Thermochemical conversion of biomass storage covers to reduce ammonia emissions from dairy manure

    Science.gov (United States)

    Manure storages, and in particular those storing digested manure, are a source of ammonia (NH3) emissions. Permeable manure storage covers can reduce NH3 emissions, however performance can decline as they degrade. Thermochemical conversion of biomass through pyrolysis and steam treatment could incre...

  3. Sensitivity analysis and economic optimization studies of inverted five-spot gas cycling in gas condensate reservoir

    Science.gov (United States)

    Shams, Bilal; Yao, Jun; Zhang, Kai; Zhang, Lei

    2017-08-01

    Gas condensate reservoirs usually exhibit complex flow behaviors because of propagation response of pressure drop from the wellbore into the reservoir. When reservoir pressure drops below the dew point in two phase flow of gas and condensate, the accumulation of large condensate amount occurs in the gas condensate reservoirs. Usually, the saturation of condensate accumulation in volumetric gas condensate reservoirs is lower than the critical condensate saturation that causes trapping of large amount of condensate in reservoir pores. Trapped condensate often is lost due to condensate accumulation-condensate blockage courtesy of high molecular weight, heavy condensate residue. Recovering lost condensate most economically and optimally has always been a challenging goal. Thus, gas cycling is applied to alleviate such a drastic loss in resources. In gas injection, the flooding pattern, injection timing and injection duration are key parameters to study an efficient EOR scenario in order to recover lost condensate. This work contains sensitivity analysis on different parameters to generate an accurate investigation about the effects on performance of different injection scenarios in homogeneous gas condensate system. In this paper, starting time of gas cycling and injection period are the parameters used to influence condensate recovery of a five-spot well pattern which has an injection pressure constraint of 3000 psi and production wells are constraint at 500 psi min. BHP. Starting injection times of 1 month, 4 months and 9 months after natural depletion areapplied in the first study. The second study is conducted by varying injection duration. Three durations are selected: 100 days, 400 days and 900 days. In miscible gas injection, miscibility and vaporization of condensate by injected gas is more efficient mechanism for condensate recovery. From this study, it is proven that the application of gas cycling on five-spot well pattern greatly enhances condensate recovery

  4. Condensed Matter Nuclear Science

    Science.gov (United States)

    Takahashi, Akito; Ota, Ken-Ichiro; Iwamura, Yashuhiro

    Preface -- 1. General. Progress in condensed matter nuclear science / A. Takahashi. Summary of ICCF-12 / X. Z. Li. Overview of light water/hydrogen-based low-energy nuclear reactions / G. H. Miley and P. J. Shrestha -- 2. Excess heat and He detection. Development of "DS-reactor" as the practical reactor of "cold fusion" based on the "DS-cell" with "DS-cathode" / Y. Arata and Y.-C. Zhang. Progress in excess of power experiments with electrochemical loading of deuterium in palladium / V. Violante ... [et al.]. Anomalous energy generation during conventional electrolysis / T. Mizuno and Y. Toriyabe. "Excess heat" induced by deuterium flux in palladium film / B. Liu ... [et al.]. Abnormal excess heat observed during Mizuno-type experiments / J.-F. Fauvarque, P. P. Clauzon and G. J.-M. Lallevé. Seebeck envelope calorimetry with a Pd|D[symbol]O + H[symbol]SO[symbol] electrolytic cell / W.-S. Zhang, J. Dash and Q. Wang. Observation and investigation of nuclear fusion and self-induced electric discharges in liquids / A. I. Koldamasov ... [et al.]. Description of a sensitive seebeck calorimeter used for cold fusion studies / E. Storms. Some recent results at ENEA / M. Apicella ... [et al.]. Heat measurement during plasma electrolysis / K. Iizumi ... [et al.]. Effect of an additive on thermal output during electrolysis of heavy water with a palladium cathode / Q. Wang and J. Dash. Thermal analysis of calorimetric systems / L. D'Aulerio ... [et al.]. Surface plasmons and low-energy nuclear reactions triggering / E. Castagna ... [et al.]. Production method for violent TCB jet plasma from cavity / F. Amini. New results and an ongoing excess heat controversy / L. Kowalski ... [et al.] -- 3. Transmutation. Observation of surface distribution of products by X-ray fluorescence spectrometry during D[symbol] gas permeation through Pd Complexes / Y. Iwamura ... [et al.]. Discharge experiment using Pd/CaO/Pd multi-layered cathode / S. Narita ... [et al.]. Producing transmutation

  5. Simulating condensation on microstructured surfaces using Lattice Boltzmann Method

    Science.gov (United States)

    Alexeev, Alexander; Vasyliv, Yaroslav

    2017-11-01

    We simulate a single component fluid condensing on 2D structured surfaces with different wettability. To simulate the two phase fluid, we use the athermal Lattice Boltzmann Method (LBM) driven by a pseudopotential force. The pseudopotential force results in a non-ideal equation of state (EOS) which permits liquid-vapor phase change. To account for thermal effects, the athermal LBM is coupled to a finite volume discretization of the temperature evolution equation obtained using a thermal energy rate balance for the specific internal energy. We use the developed model to probe the effect of surface structure and surface wettability on the condensation rate in order to identify microstructure topographies promoting condensation. Financial support is acknowledged from Kimberly-Clark.

  6. Electronic Pumping of Quasiequilibrium Bose-Einstein-Condensed Magnons

    Science.gov (United States)

    Bender, Scott A.; Duine, Rembert A.; Tserkovnyak, Yaroslav

    2012-06-01

    We theoretically investigate spin transfer between a system of quasiequilibrated Bose-Einstein-condensed magnons in an insulator in direct contact with a conductor. While charge transfer is prohibited across the interface, spin transport arises from the exchange coupling between insulator and conductor spins. In a normal insulator phase, spin transport is governed solely by the presence of thermal and spin-diffusive gradients; the presence of Bose-Einstein condensation (BEC), meanwhile, gives rise to a temperature-independent condensate spin current. Depending on the thermodynamic bias of the system, spin may flow in either direction across the interface, engendering the possibility of a dynamical phase transition of magnons. We discuss the experimental feasibility of observing a BEC steady state (fomented by a spin Seebeck effect), which is contrasted to the more familiar spin-transfer-induced classical instabilities.

  7. Ferroelectricity by Bose-Einstein condensation in a quantum magnet.

    Science.gov (United States)

    Kimura, S; Kakihata, K; Sawada, Y; Watanabe, K; Matsumoto, M; Hagiwara, M; Tanaka, H

    2016-09-26

    The Bose-Einstein condensation is a fascinating phenomenon, which results from quantum statistics for identical particles with an integer spin. Surprising properties, such as superfluidity, vortex quantization or Josephson effect, appear owing to the macroscopic quantum coherence, which spontaneously develops in Bose-Einstein condensates. Realization of Bose-Einstein condensation is not restricted in fluids like liquid helium, a superconducting phase of paired electrons in a metal and laser-cooled dilute alkali atoms. Bosonic quasi-particles like exciton-polariton and magnon in solids-state systems can also undergo Bose-Einstein condensation in certain conditions. Here, we report that the quantum coherence in Bose-Einstein condensate of the magnon quasi particles yields spontaneous electric polarization in the quantum magnet TlCuCl 3 , leading to remarkable magnetoelectric effect. Very soft ferroelectricity is realized as a consequence of the O(2) symmetry breaking by magnon Bose-Einstein condensation. The finding of this ferroelectricity will open a new window to explore multi-functionality of quantum magnets.

  8. Heat transfer degradation during condensation of non-azeotropic mixtures

    Science.gov (United States)

    Azzolin, M.; Berto, A.; Bortolin, S.; Del, D., Col

    2017-11-01

    International organizations call for a reduction of the HFCs production and utilizations in the next years. Binary or ternary blends of hydroflourocarbons (HFCs) and hydrofluoroolefins (HFOs) are emerging as possible substitutes for high Global Warming Potential (GWP) fluids currently employed in some refrigeration and air-conditioning applications. In some cases, these mixtures are non-azeotropic and thus, during phase-change at constant pressure, they present a temperature glide that, for some blends, can be higher than 10 K. Such temperature variation during phase change could lead to a better matching between the refrigerant and the water temperature profiles in a condenser, thus reducing the exergy losses associated with the heat transfer process. Nevertheless, the additional mass transfer resistance which occurs during the phase change of zeotropic mixtures leads to a heat transfer degradation. Therefore, the design of a condenser working with a zeotropic mixture poses the problem of how to extend the correlations developed for pure fluids to the case of condensation of mixtures. Experimental data taken are very helpful in the assessment of design procedures. In the present paper, heat transfer coefficients have been measured during condensation of zeotropic mixtures of HFC and HFO fluids. Tests have been carried out in the test rig available at the Two Phase Heat Transfer Lab of University of Padova. During the condensation tests, the heat is subtracted from the mixture by using cold water and the heat transfer coefficient is obtained from the measurement of the heat flux on the water side, the direct measurements of the wall temperature and saturation temperature. Tests have been performed at 40°C mean saturation temperature. The present experimental database is used to assess predictive correlations for condensation of mixtures, providing valuable information on the applicability of available models.

  9. Effects of key factors on solar aided methane steam reforming in porous medium thermochemical reactor

    International Nuclear Information System (INIS)

    Wang, Fuqiang; Tan, Jianyu; Ma, Lanxin; Leng, Yu

    2015-01-01

    Highlights: • Effects of key factors on chemical reaction for solar methane reforming are studied. • MCRT and FVM method coupled with UDFs is used to establish numerical model. • Heat and mass transfer model coupled with thermochemical reaction is established. • LTNE model coupled with P1 approximation is used for porous matrix solar reactor. • A formula between H 2 production and conductivity of porous matrix is put forward. - Abstract: With the aid of solar energy, methane reforming process can save up to 20% of the total methane consumption. Monte Carlo Ray Tracing (MCRT) method and Finite Volume Method (FVM) combined method are developed to establish the heat and mass transfer model coupled with thermochemical reaction kinetics for porous medium solar thermochemical reactor. In order to provide more temperature information, local thermal non-equilibrium (LTNE) model coupled with P1 approximation is established to investigate the thermal performance of porous medium solar thermochemical reaction. Effects of radiative heat loss and thermal conductivity of porous matrix on temperature distribution and thermochemical reaction for solar driven steam methane reforming process are numerically studied. Besides, the relationship between hydrogen production and thermal conductivity of porous matrix are analyzed. The results illustrate that hydrogen production shows a 3 order polynomial relation with thermal conductivity of porous matrix

  10. Condensation: the new deal; Condensation: la nouvelle donne

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2002-06-01

    The principle of condensation boilers is based on the recovery of the latent heat of the steam generated by the combustion of natural gas. This technology was introduced in France at the end of the 80's but failed in its promise because of the complexity of the equipments available at that time. Today, constructors' offer is more mature and reliable and the context has changed. This technology can conciliate three goals: a mastery of energy consumptions, the comfort of the user and the respect of environment. This meeting organized by the research center of Gaz de France (Cegibat), was a good opportunity to makes a status of the market of individual condensation systems in France and in Europe, to present the situation of this technology today and the 10 golden rules for the fitting and maintenance of individual condensation boilers, and to present some technical references, examples and results of today's offer. (J.S.)

  11. Research progress of control of condensate depression for condenser

    Science.gov (United States)

    Liu, Ying; Liang, Run; Li, Fengyu

    2017-08-01

    It is introduced that significance and structure of the condensate depression control system. In accordance with controller devised procedure, we analyze and elaborate how to construct the lumped parameter and dynamic mathematical model which possesses distinct physics significance. Neural network model being called black-box model is also introduced. We analyze and contrast the control technique of condensate depression as conventional PI control, fuzzy PI control and fuzzy control. It is indicated that if the controller of condensate depression were devised inappropriate, while the steam discharged of turbine varying by a large margin, would result in the rotation rate of cooling water circulating pump accelerating at a great lick even to trigger the galloping danger which is less impressive for the units operating safely.

  12. Holography, Gravity and Condensed Matter

    Energy Technology Data Exchange (ETDEWEB)

    Hartnoll, Sean [Stanford Univ., CA (United States). Dept. of Physics

    2017-12-20

    Over the five years of funding from this grant, I produced 26 publications. These include a book-long monograph on "Holographic Quantum Matter" that is currently in press with MIT press. The remainder were mostly published in Physical Review Letters, the Journal of High Energy Physics, Nature Physics, Classical and Quantum Gravity and Physical Review B. Over this period, the field of holography applied to condensed matter physics developed from a promising theoretical approach to a mature conceptual and practical edifice, whose ideas were realized in experiments. My own work played a central role in this development. In particular, in the final year of this grant, I co-authored two experimental papers in which ideas that I had developed in earlier years were shown to usefully describe transport in strongly correlated materials — these papers were published in Science and in the Proceedings of the National Academy of Sciences (obviously my contribution to these papers was theoretical). My theoretical work in this period developed several new directions of research that have proven to be influential. These include (i) The construction of highly inhomogeneous black hole event horizons, realizing disordered fixed points and describing new regimes of classical gravity, (ii) The conjecture of a bound on diffusivities that could underpin transport in strongly interacting media — an idea which may be proven in the near future and has turned out to be intimately connected to studies of quantum chaos in black holes and strongly correlated media, (iii) The characterization of new forms of hydrodynamic transport, e.g. with phase-disordered order parameters. These studies pertain to key open questions in our understanding of how non-quasiparticle, intrinsically strongly interacting systems can behave. In addition to the interface between holography and strongly interacting condensed matter systems, I made several advances on understanding the role of entanglement in quantum

  13. From cation to oxide: hydroxylation and condensation of aqueous complexes

    International Nuclear Information System (INIS)

    Jolivet, J.P.

    1997-01-01

    Hydroxylation, condensation and precipitation of metal cations in aqueous solution are briefly reviewed. Hydroxylation of aqueous complexes essentially depends on the format charge (oxidation state), the size and the pH of the medium. It is the step allowing the condensation reaction. Depending on the nature of complexes (aqua-hydroxo, oxo-hydroxo), the. mechanism of condensation is different, olation or ox-olation respectively. The first one leads to poly-cations or hydroxides more or less stable against dehydration. The second one leads to poly-anions or oxides. Oligomeric species (poly-cations, poly-anions) are form from charged monomer complexes while the formation of solid phases requires non-charged precursors. Because of their high lability, charged oligomers are never the precursors of solids phases. The main routes for the formation of solid phases from solution are studied with two important and representative elements, Al and Si. For Al 3+ ions, different methods (base addition in solution, thermo-hydrolysis, hydrothermal synthesis) are discussed in relation to the crystal structure of the solid phase obtained. For silicic species condensing by ox-olation, the role of acid or base catalysis on the morphology of gels is studied. The influence of complexing ligands on the processes and on the characteristics of solids (morphology of particles, basic salts and polymetallic oxides formation) is studied. (author)

  14. Formation of the condensate in a dilute Bose gas

    NARCIS (Netherlands)

    Stoof, H.T.C.

    1991-01-01

    We examine the time evolution of a weakly interacting Bose gas in the course of the Bose-Einstein phase transition and show that, in contrast with previous claims in the literature, the relevant time scale for the appearance of the condensate is finite and, under the conditions we consider, of

  15. Condensate-induced transitions and critical spin chains

    NARCIS (Netherlands)

    Månsson, T.; Lahtinen, V.; Suorsa, J.; Ardonne, E.

    2013-01-01

    We show that condensate-induced transitions between two-dimensional topological phases provide a general framework to relate one-dimensional spin models at their critical points. We demonstrate this using two examples. First, we show that two well-known spin chains, namely, the XY chain and the

  16. Investigating tunable KRb gases and Bose-Einstein condensates

    DEFF Research Database (Denmark)

    Jørgensen, Nils Byg

    2015-01-01

    We present the production of dual-species Bose-Einstein condensates of 39K and 87Rb with tunable interactions. A dark spontaneous force optical trap was used for 87Rb to reduce the losses in 39K originating from light-assisted collisions in the magneto optical trapping phase. Using sympathetic...

  17. Anomalous heat transport and condensation in convection of cryogenic helium

    Czech Academy of Sciences Publication Activity Database

    Urban, Pavel; Schmoranzer, D.; Hanzelka, Pavel; Sreenivasan, K. R.; Skrbek, L.

    2013-01-01

    Roč. 110, č. 20 (2013), s. 8036-8039 ISSN 0027-8424 R&D Projects: GA ČR GPP203/12/P897 Institutional support: RVO:68081731 Keywords : two-phase convection * temperature inversion * condensation * rain formation Subject RIV: BK - Fluid Dynamics Impact factor: 9.809, year: 2013

  18. Activated hydrotalcites as solid base catalysts in aldol condensations

    NARCIS (Netherlands)

    Roelofs, J.C.A.A.

    2001-01-01

    The development of new catalytic materials and routes to replace environmentally unacceptable processes in the fine chemical industry is emerging due to stringent legislation. Replacement of currently applied alkali bases in liquid-phase aldol condensations can result in diminishing of waste water

  19. Fragmented-condensate solid of dipolar excitons

    Science.gov (United States)

    Andreev, S. V.

    2017-05-01

    We discuss a possible link between the recently observed macroscopic ordering of ultracold dipolar excitons (MOES) and the phenomenon of supersolidity. In the dilute limit we predict a stable supersolid state for a quasi-one-dimensional system of bosonic dipoles characterized by two- and three-body contact repulsion. We phenomenologically extend our theory to the strongly-correlated regime and find a critical value of the contact interaction parameter at which the supersolid exhibits a quantum phase transition to a fragmented state. The wavelength of the fragmented-condensate solid is defined by the balance between the quantum pressure and the entropy due to fluctuations of the relative phases between the fragments. Our model appears to be in good agreement with the relevant experimental data, including the very recent results on commensurability effect and wavelength of the MOES.

  20. Thermochemical sulphate reduction can improve carbonate petroleum reservoir quality

    Science.gov (United States)

    Jiang, Lei; Worden, Richard H.; Yang, Changbing

    2018-02-01

    Interest in the creation of secondary pore spaces in petroleum reservoirs has increased because of a need to understand deeper and more complex reservoirs. The creation of new secondary porosity that enhances overall reservoir quality in deeply buried carbonate reservoirs is controversial and some recent studies have concluded it is not an important phenomenon. Here we present petrography, geochemistry, fluid inclusion data, and fluid-rock interaction reaction modeling results from Triassic Feixianguan Formation, Sichuan Basin, China, core samples and explore the relative importance of secondary porosity due to thermochemical sulphate reduction (TSR) during deep burial diagenesis. We find that new secondary pores result from the dissolution of anhydrite and possibly from dissolution of the matrix dolomite. Assuming porosity before TSR was 16% and the percentage of anhydrite was 6%, modelling shows that, due to TSR, 1.6% additional porosity was created that led to permeability increasing from 110 mD (range 72-168 mD within a 95% confidence interval) to 264 mD (range 162-432 mD within a 95% confidence interval). Secondary porosity results from the density differences between reactant anhydrite and product calcite, the addition of new water during TSR, and the generation of acidity during the reaction of new H2S with the siderite component in pre-existing dolomite in the reservoir. Fluid pressure was high during TSR, and approached lithostatic pressure in some samples; this transient overpressure may have led to the maintenance of porosity due to the inhibition of compactional processes. An additional 1.6% porosity is significant for reserve calculations, especially considering that it occurs in conjunction with elevated permeability that results in faster flow rates to the production wells.

  1. Determination of heat transfer coefficient with vapor condensation inside the tubes diesel’s radiator sections

    Directory of Open Access Journals (Sweden)

    Y.K.Sklifus

    2012-12-01

    Full Text Available The article presents the calculation of heat transfer coefficient during condensation of steam, the mathematical model of temperature distribution in the gas and liquid phases of the coolant and the model of the formation of the condensate film on the walls of the tubes.

  2. Nonequilibrium evaporation and condensation during a uranium dioxide fuel expansion

    International Nuclear Information System (INIS)

    Refling, J.G. Jr.

    1976-01-01

    Effects of nonequilibrium rates of evaporation and condensation on the expansion of two-phase fuel in an LMFBR core disruptive accident were studied. The rates were determined from kinetic theory. Conservation equations for mass, momentum and energy were written for both phases. The resulting equations were solved numerically and compared with analyses which assumed that thermodynamic equilibrium could be maintained throughout the expansion. A parametric study was performed on the effective liquid-surface area, which includes the effects of both liquid surface area and the evaporation and condensation coefficients. Liquid and two-phase thermodynamic properties for the fuel were already available; however, gas phase properties were developed as part of this study

  3. Skyrmions in condensed matter

    CERN Document Server

    Han, Jung Hoon

    2017-01-01

    This book summarizes some of the most exciting theoretical developments in the topological phenomena of skyrmions in noncentrosymmetric magnetic systems over recent decades. After presenting pedagogical backgrounds to the Berry phase and homotopy theory, the author systematically discusses skyrmions in the order of their development, from the Ginzburg-Landau theory, CP1 theory, Landau-Lifshitz-Gilbert theory, and Monte Carlo numerical approaches. Modern topics, such as the skyrmion-electron interaction, skyrmion-magnon interaction, and various generation mechanisms of the skyrmion are examined with a focus on their general theoretical aspects. The book concludes with a chapter on the skyrmion phenomena in the cold atom context. The topics are presented at a level accessible to beginning graduate students without a substantial background in field theory. The book can also be used as a text for those who wish to engage in the physics of skyrmions in magnetic systems, or as an introduction to the various theoret...

  4. Effects of thermochemical pretreatment on the biodegradability of sludge from a biological wastewater treatment system

    Directory of Open Access Journals (Sweden)

    Ick-Tae Yeom

    2010-07-01

    Full Text Available The effects of thermochemical pretreatment on the sludge biodegradability were examined. Two types of tests were conducted: aerobic biodegradation and denitrification using thermochemically pretreated sludge as carbon source. In the aerobic biodegradation tests, the biodegradation efficiency for the sludge pretreated at 60, 70, 80 and 90oC (pH 11 was 1.4-2.2 times higher than that for the untreated sludge. The biodegradation efficiency for the supernatant was also about 1.9 times higher than that for the particulates. The biodegradation enhancement for the thermochemically pretreated sludge was demonstrated in denitrification tests. The supernatant showed its potential as a carbon source for the denitrification process.

  5. A hybrid thermochemical-electrolytic process for hydrogen production based on the Reverse Deacon Reaction

    International Nuclear Information System (INIS)

    Simpson, M.F.; Herrmann, S.D.; Boyle, B.D.

    2006-01-01

    Development has been initiated on a three-reaction, hybrid thermochemical-electrolytic process for splitting water into hydrogen and oxygen. This process can be run at 500 C, making it suitable for linking to nuclear reactors that run colder than the very highest temperature gas cooled reactors. This feature also makes the materials requirements less stringent than for high temperature cycles, many of which require temperatures in the range of 800-900 C. The process consists of three reactions - two thermochemical and one electrolytic. The thermochemical reactions sum to the reverse Deacon reaction. The electrolytic step involves the electrolysis of anhydrous HCl. The estimated energy savings for this process relative to electrolysis of water are in the vicinity of 15%, due to the low energy requirements of anhydrous HCl electrolysis. Preliminary experimental results indicate that a silicalite-supported catalyst for the reverse Deacon reaction has the potential of promoting fast reaction kinetics and long-term stability of the solids.

  6. Introduction. Cosmology meets condensed matter.

    Science.gov (United States)

    Kibble, T W B; Pickett, G R

    2008-08-28

    At first sight, low-temperature condensed-matter physics and early Universe cosmology seem worlds apart. Yet, in the last few years a remarkable synergy has developed between the two. It has emerged that, in terms of their mathematical description, there are surprisingly close parallels between them. This interplay has been the subject of a very successful European Science Foundation (ESF) programme entitled COSLAB ('Cosmology in the Laboratory') that ran from 2001 to 2006, itself built on an earlier ESF network called TOPDEF ('Topological Defects: Non-equilibrium Field Theory in Particle Physics, Condensed Matter and Cosmology'). The articles presented in this issue of Philosophical Transactions A are based on talks given at the Royal Society Discussion Meeting 'Cosmology meets condensed matter', held on 28 and 29 January 2008. Many of the speakers had participated earlier in the COSLAB programme, but the strength of the field is illustrated by the presence also of quite a few new participants.

  7. Condensational theory of stationary tornadoes

    International Nuclear Information System (INIS)

    Makarieva, A.M.; Gorshkov, V.G.; Nefiodov, A.V.

    2011-01-01

    Using the Bernoulli integral for air streamline with condensing water vapor a stationary axisymmetric tornado circulation is described. The obtained profiles of vertical, radial and tangential velocities are in agreement with observations for the Mulhall tornado, world's largest on record and longest-lived among the three tornadoes for which 3D velocity data are available. Maximum possible vortex velocities are estimated. -- Highlights: → Water vapor condensation causes a logarithmic drop of air pressure towards tornado center. → The first ever theoretical description of tornado velocities is obtained. → The maximum vortex velocity grows logarithmically with decreasing tornado eye radius. → Air motion with high velocities can only develop in sufficiently large condensation areas.

  8. Spin-excited oscillations in two-component fermion condensates

    International Nuclear Information System (INIS)

    Maruyama, Tomoyuki; Bertsch, George F.

    2006-01-01

    We investigate collective spin excitations in two-component fermion condensates with special consideration of unequal populations of the two components. The frequencies of monopole and dipole modes are calculated using Thomas-Fermi theory and the scaling approximation. As the fermion-fermion coupling is varied, the system shows various phases of the spin configuration. We demonstrate that spin oscillations have more sensitivity to the spin phase structures than the density oscillations

  9. Life cycle assessment of nuclear-based hydrogen production using thermochemical water decomposition: extension of previous work and future needs

    International Nuclear Information System (INIS)

    Lubis, L.I.; Dincer, I.; Rosen, M.A.

    2008-01-01

    An extension of a previous Life Cycle Assessment (LCA) of nuclear-based hydrogen production using thermochemical water decomposition is reported. The copper-chlorine thermochemical cycle is considered, and the environmental impacts of the nuclear and thermochemical plants are assessed, while future needs are identified. Environmental impacts are investigated using CML 2001 impact categories. The nuclear fuel cycle and construction of the hydrogen plant contribute significantly to total environmental impacts. The environmental impacts for the operation of the thermochemical hydrogen production plant contribute much less. Changes in the inventory of chemicals needed in the thermochemical plant do not affect significantly the total impacts. Improvement analysis suggests the development of more sustainable processes, particularly in the nuclear plant. Other important and necessary future extensions of the research reported are also provided. (author)

  10. Quantum field theory of polyelectrolyte-counterion condensation

    Science.gov (United States)

    Dewey, T. G.

    1988-10-01

    A simple quantum theory of polyelectrolyte-counterion interactions is presented. A model Hamiltonian is employed which describes both the polyelectrolyte and the counterion as free, spinless fermions. This Hamiltonian is transformed into a form which is isomorphous with traditional Hamiltonians used to describe phase transitions. The difference between this theory and early theories of superconductivity is that the counterion-counterion interaction energies will be quite large and will persist at high temperatures. The counterion condensate is a collective mode resulting from polyelectrolyte-mediated polarizations. Colligative properties for this model are compared with the Poisson-Boltzmann theory and to Manning's condensation theory.

  11. Communication: The electronic entropy of charged defect formation and its impact on thermochemical redox cycles

    Energy Technology Data Exchange (ETDEWEB)

    Lany, Stephan [National Renewable Energy Laboratory, Golden, Colorado 80401, USA

    2018-02-21

    The ideal material for solar thermochemical water splitting, which has yet to be discovered, must satisfy stringent conditions for the free energy of reduction, including, in particular, a sufficiently large positive contribution from the solid-state entropy. By inverting the commonly used relationship between defect formation energy and defect concentration, it is shown here that charged defect formation causes a large electronic entropy contribution manifesting itself as the temperature dependence of the Fermi level. This result is a general feature of charged defect formation and motivates new materials design principles for solar thermochemical hydrogen production.

  12. Communication: The electronic entropy of charged defect formation and its impact on thermochemical redox cycles

    Science.gov (United States)

    Lany, Stephan

    2018-02-01

    The ideal material for solar thermochemical water splitting, which has yet to be discovered, must satisfy stringent conditions for the free energy of reduction, including, in particular, a sufficiently large positive contribution from the solid-state entropy. By inverting the commonly used relationship between defect formation energy and defect concentration, it is shown here that charged defect formation causes a large electronic entropy contribution manifesting itself as the temperature dependence of the Fermi level. This result is a general feature of charged defect formation and motivates new materials design principles for solar thermochemical hydrogen production.

  13. Charged ρ-meson condensation in neutron stars

    Science.gov (United States)

    Kolomeitsev, E. E.; Maslov, K. A.; Voskresensky, D. N.

    2018-02-01

    We extend relativistic mean-field models with hadron masses and meson-baryon coupling constants dependent on the scalar field σ, including hyperons and Δ (1232) baryons, to incorporate a possibility of the charged ρ meson condensation in neutron star matter. The influence of the ρ- condensation on the equation of state proves to be strongly model dependent. In our models of one type (KVORcut-based ones) the ρ- condensation arises by a second-order phase transition above a critical density and the maximum value of the neutron star mass diminishes only slightly. The matter composition changes more significantly. In our models of other type (MKVOR*-based ones), if the system is considered at fixed density, the ρ- condensation arises by a second-order phase transition at the baryon density n = nc,ρ(II) and at a slightly higher density n = nc,ρ(I) there occurs a first-order phase transition. In a neutron star matter starting with a density n matter composition. Dependence of the results on a choice of the ρ meson scaling functions for the effective ρ meson mass and coupling constants is also investigated.

  14. Molecular equilibria and condensation temperatures in carbon-rich gases

    Science.gov (United States)

    Sharp, C. M.; Wasserburg, G. J.

    1995-04-01

    Detailed chemical equilibrium calculations were carried out using a number of different C/O ratios, in order to determine the relative condensation sequence of various phases. For C/O > 1, we calculated the condensation temperatures of graphite, TiC, and SiC, and found that the condensation temperature of graphite is strongly dependent on the C/O ratio, but insensitive to pressure, whereas for TiC and SiC, there is a strong dependence on pressure, but almost no dependence on C/O. In all cases, TiC condenses before SiC. For most regions of PC/O space when C/O > 1, graphite condenses before TiC and SiC, but for a C/O ratio of about 1.2, TiC condenses before graphite for pressures above approximately 30 dyne/cm 2, and this limiting pressure decreases with decreasing C/O ratio. We found that the main species governing the condensation of graphite, TiC, and SiC were the gas phase species H, H 2, C 2H, C 2H 2, Ti, and Si. By identifying the key equilibria involving these species, a few simple analytic formulae were found that estimate the condensation temperatures, which are generally in good agreement with the detailed calculations, with any differences being easily explained by the neglect of some minor species. These results exhibit the basic dependence of the condensation sequence on C/O, pressure, and temperature for C, TiC, and SiC. To form grains in the winds of an AGB star, the gas density must be high enough for grains to form in a reasonable timescale at or below their condensation temperature. From kinetic considerations and stellar models, we argue that grains are most likely to form in the pressure range 0.2 population found in meteorites. The nitrogen chemistry was investigated and it was found that AIN always condenses at a much lower temperature than SiC. However, Al and N are often found in substantial amounts in association with SiC. We infer that these elements must form a solid solution with SiC at higher temperatures. We note that a small amount

  15. Renewable energy from corn residues by thermochemical conversion

    Science.gov (United States)

    Yu, Fei

    Declining fossil oil reserve, skyrocket price, unsecured supplies, and environment pollution are among the many energy problems we are facing today. It is our conviction that renewable energy is a solution to these problems. The long term goal of the proposed research is to develop commercially practical technologies to produce energy from renewable resources. The overall objective of my research is to study and develop thermochemical processes for converting bulky and low-energy-density biomass materials into bio-fuels and value-added bio-products. The rationale for the proposed research is that, once such processes are developed, processing facility can be set up on or near biomass product sites, reducing the costs associated with transport of bulky biomass which is a key technical barrier to biomass conversion. In my preliminary research, several conversion technologies including atmospheric pressure liquefaction, high pressure liquefaction, and microwave pyrolysis have been evaluated. Our data indicated that microwave pyrolysis had the potential to become a simple and economically viable biomass conversion technology. Microwave pyrolysis is an innovative process that provides efficient and uniform heating, and are robust to type, size and uniformity of feedstock and therefore suitable for almost any waste materials without needing to reduce the particle size. The proposed thesis focused on in-depth investigations of microwave pyrolysis of corn residues. My first specific aim was to examine the effects of processing parameters on product yields. The second specific research aim was to characterize the products (gases, bio-oils, and solid residues), which was critical to process optimization and product developments. Other research tasks included conducting kinetic modeling and preliminary mass and energy balance. This study demonstrated that microwave pyrolysis could be optimized to produce high value syngas, liquid fuels and pyrolytic carbons, and had a great

  16. The chiral condensate in matter

    International Nuclear Information System (INIS)

    Brockmann, R.; Weise, W.

    1995-01-01

    The change of the chiral condensate in dense matter is discussed. Especially the higher order terms in the density of nuclear matter are evaluated (in the relativistic Brueckner-Hartree-Fock approach). Implications for nuclear physics and relativistic heavy ion collisions are discussed, such as the strong Dirac scalar mean field that results from the density dependence of . (orig.)

  17. KAON CONDENSATION IN NEUTRON STARS.

    Energy Technology Data Exchange (ETDEWEB)

    RAMOS,A.; SCHAFFNER-BIELICH,J.; WAMBACH,J.

    2001-04-24

    We discuss the kaon-nucleon interaction and its consequences for the change of the properties of the kaon in the medium. The onset of kaon condensation in neutron stars under various scenarios as well its effects for neutron star properties are reviewed.

  18. Approaching Bose-Einstein Condensation

    Science.gov (United States)

    Ferrari, Loris

    2011-01-01

    Bose-Einstein condensation (BEC) is discussed at the level of an advanced course of statistical thermodynamics, clarifying some formal and physical aspects that are usually not covered by the standard pedagogical literature. The non-conventional approach adopted starts by showing that the continuum limit, in certain cases, cancels out the crucial…

  19. Condensation of vortices and disorder parameter in 3d Heisenberg model

    OpenAIRE

    Di Giacomo, A.; Martelli, D.; Paffuti, G.

    1998-01-01

    The 3d Heisenberg model is studied from a dual point of view. It is shown that the disordered phase corresponds to condensation of vortices in the vacuum, and the critical indices are computed from the corresponding disorder parameter.

  20. Dark matter as the Bose-Einstein condensation in loop quantum cosmology

    Energy Technology Data Exchange (ETDEWEB)

    Atazadeh, K.; Mousavi, M. [Azarbaijan Shahid Madani University, Department of Physics, Tabriz (Iran, Islamic Republic of); Darabi, F. [Azarbaijan Shahid Madani University, Department of Physics, Tabriz (Iran, Islamic Republic of); Research Institute for Astronomy and Astrophysics of Maragha (RIAAM), Maragha (Iran, Islamic Republic of)

    2016-06-15

    We consider the FLRW universe in a loop quantum cosmological model filled with radiation, baryonic matter (with negligible pressure), dark energy, and dark matter. The dark matter sector is supposed to be of Bose-Einstein condensate type. The Bose-Einstein condensation process in a cosmological context by supposing it as an approximate first-order phase transition, has already been studied in the literature. Here, we study the evolution of the physical quantities related to the early universe description such as the energy density, temperature, and scale factor of the universe, before, during, and after the condensation process. We also consider in detail the evolution era of the universe in a mixed normal-condensate dark matter phase. The behavior and time evolution of the condensate dark matter fraction is also analyzed. (orig.)

  1. Condensation phenomena in a turbine blade passage

    International Nuclear Information System (INIS)

    Skillings, S.A.

    1989-02-01

    The mechanisms associated with the formation and growth of water droplets in the large low-pressure (LP) turbines used for electrical power generation are poorly understood and recent measurements have indicated that an unusually high loss is associated with the initial nucleation of these droplets. In order to gain an insight into the phenomena which arise in the turbine situation, some experiments were performed to investigate the behaviour of condensing steam flows in a blade passage. This study has revealed the fundamental significance of droplet nucleation in modifying the single-phase flow structure and results are presented which show the change in shock wave pattern when inlet superheat and outlet Mach number are varied. The trailing-edge shock wave structure appears considerably more robust towards variation of inlet superheat than purely one-dimensional considerations may suggest and the inadequacies of adopting a one-dimensional theory to analyse multi-dimensional condensing flows are demonstrated. Over a certain range of outlet Mach numbers an oscillating shock wave will establish in the throat region of the blade passage and this has been shown to interact strongly with droplet nucleation, resulting in a considerably increased mean droplet size. The possible implications of these results for turbine performance are also discussed. (author)

  2. Inverted Leidenfrost-like Effect during Condensation.

    Science.gov (United States)

    Narhe, Ramchandra; Anand, Sushant; Rykaczewski, Konrad; Medici, Marie-Gabrielle; González-Viñas, Wenceslao; Varanasi, Kripa K; Beysens, Daniel

    2015-05-19

    Water droplets condensing on solidified phase change materials such as benzene and cyclohexane near their melting point show in-plane jumping and continuous "crawling" motion. The jumping drop motion has been tentatively explained as an outcome of melting and refreezing of the materials surface beneath the droplets and can be thus considered as an inverted Leidenfrost-like effect (in the classical case vapor is generated from a droplet on a hot substrate). We present here a detailed investigation of jumping movements using high-speed imaging and static cross-sectional cryogenic focused ion beam scanning electron microscope imaging. Our results show that drop motion is induced by a thermocapillary (Marangoni) effect. The in-plane jumping motion can be delineated to occur in two stages. The first stage occurs on a millisecond time scale and comprises melting the substrate due to drop condensation. This results in droplet depinning, partial spreading, and thermocapillary movement until freezing of the cyclohexane film. The second stage occurs on a second time scale and comprises relaxation motion of the drop contact line (change in drop contact radius and contact angle) after substrate freezing. When the cyclohexane film cannot freeze, the droplet continuously glides on the surface, resulting in the crawling motion.

  3. Modeling of Kerena Emergency Condenser

    Science.gov (United States)

    Bryk, Rafał; Schmidt, Holger; Mull, Thomas; Wagner, Thomas; Ganzmann, Ingo; Herbst, Oliver

    2017-12-01

    KERENA is an innovative boiling water reactor concept equipped with several passive safety systems. For the experimental verification of performance of the systems and for codes validation, the Integral Test Stand Karlstein (INKA) was built in Karlstein, Germany. The emergency condenser (EC) system transfers heat from the reactor pressure vessel (RPV) to the core flooding pool in case of water level decrease in the RPV. EC is composed of a large number of slightly inclined tubes. During accident conditions, steam enters into the tubes and condenses due to the contact of the tubes with cold water at the secondary side. The condensed water flows then back to the RPV due to gravity. In this paper two approaches for modeling of condensation in slightly inclined tubes are compared and verified against experiments. The first approach is based on the flow regime map. Depending on the regime, heat transfer coefficient is calculated according to specific semi-empirical correlation. The second approach uses a general, fully-empirical correlation. The models are developed with utilization of the object-oriented Modelica language and the open-source OpenModelica environment. The results are compared with data obtained during a large scale integral test, simulating loss of coolant accident performed at Integral Test Stand Karlstein (INKA). The comparison shows a good agreement.Due to the modularity of models, both of them may be used in the future in systems incorporating condensation in horizontal or slightly inclined tubes. Depending on his preferences, the modeller may choose one-equation based approach or more sophisticated model composed of several exchangeable semi-empirical correlations.

  4. Modeling of Kerena Emergency Condenser

    Directory of Open Access Journals (Sweden)

    Bryk Rafał

    2017-12-01

    Full Text Available KERENA is an innovative boiling water reactor concept equipped with several passive safety systems. For the experimental verification of performance of the systems and for codes validation, the Integral Test Stand Karlstein (INKA was built in Karlstein, Germany. The emergency condenser (EC system transfers heat from the reactor pressure vessel (RPV to the core flooding pool in case of water level decrease in the RPV. EC is composed of a large number of slightly inclined tubes. During accident conditions, steam enters into the tubes and condenses due to the contact of the tubes with cold water at the secondary side. The condensed water flows then back to the RPV due to gravity. In this paper two approaches for modeling of condensation in slightly inclined tubes are compared and verified against experiments. The first approach is based on the flow regime map. Depending on the regime, heat transfer coefficient is calculated according to specific semi-empirical correlation. The second approach uses a general, fully-empirical correlation. The models are developed with utilization of the object-oriented Modelica language and the open-source OpenModelica environment. The results are compared with data obtained during a large scale integral test, simulating loss of coolant accident performed at Integral Test Stand Karlstein (INKA. The comparison shows a good agreement.Due to the modularity of models, both of them may be used in the future in systems incorporating condensation in horizontal or slightly inclined tubes. Depending on his preferences, the modeller may choose one-equation based approach or more sophisticated model composed of several exchangeable semi-empirical correlations.

  5. Oxygen permeation and thermo-chemical stability of oxygen separation membrane materials for the oxyfuel process

    Energy Technology Data Exchange (ETDEWEB)

    Ellett, Anna Judith

    2009-07-01

    analysis (TGA) and thermo mechanical analysis (TMA). An increase in thermal expansion and oxygen permeation associated with an increase in oxygen vacancy concentration, observed also in the TGA curves, occurs during heating. BSCF50 exhibits permeation fluxes well above those of LSCF58, PSCF58 and La{sub 2}NiO{sub 4+{delta}}, which are quite similar to each other. After exposure, no degradation of LSCF58, La{sub 2}NiO{sub 4+{delta}} and PSCF58 occurs. On the other hand BSCF50 is found to be unstable in CO{sub 2}- and/or H{sub 2}O-containing atmospheres and also to exhibit a chemical demixing. The thermo-chemical stability and the oxygen permeation performances are both crucial factors in the selection of high purity oxygen separation membranes for the oxyfuel process, thus making LSCF58, PSCF58 and La{sub 2}NiO{sub 4+{delta}} in this study the most suitable materials for this application. Serious issues arise, however, from the fact that secondary non-ion conducting oxide phases are formed in the bulk of every material, forming obstacles for oxygen ion migration, and also that a reaction with chromia occurs, preventing their use without protection. (orig.)

  6. Nontrivial Phase Coupling in Polariton Multiplets

    Directory of Open Access Journals (Sweden)

    H. Ohadi

    2016-08-01

    Full Text Available We investigate the phase coupling between spatially separated polariton condensates under nonresonant optical pulsed excitation. In the simple case of two condensates, we observe phase locking either in symmetric or antisymmetric states. We demonstrate that the coupling symmetry depends both on the separation distance and outflow velocity from the condensates. We interpret the observations through stimulated relaxation of polaritons to the phase configuration with the highest occupation. We derive an analytic criterion for the phase locking of a pair-polariton condensate and extend it to polariton multiplets. In the case of three condensates, we predict theoretically and observe experimentally either in-phase locking or the appearance of phase winding with phase differences of ±2π/3 between neighbors. The latter state corresponds to a vortex of winding number ±1 across the three polariton condensates.

  7. Pair condensation and bound states in fermionic systems

    International Nuclear Information System (INIS)

    Sedrakian, Armen; Clark, John W.

    2006-01-01

    We study the finite temperature-density phase diagram of an attractive fermionic system that supports two-body (dimer) and three-body (trimer) bound states in free space. Using interactions characteristic for nuclear systems, we obtain the critical temperature T c2 for the superfluid phase transition and the limiting temperature T c3 for the extinction of trimers. The phase diagram features a Cooper-pair condensate in the high-density, low-temperature domain which, with decreasing density, crosses over to a Bose condensate of strongly bound dimers. The high-temperature, low-density domain is populated by trimers whose binding energy decreases toward the density-temperature domain occupied by the superfluid and vanishes at a critical temperature T c3 >T c2

  8. Transition Elements in Supernova Presolar Grains: Condensation versus Implantation

    Science.gov (United States)

    Marhas, Kuljeet K.; Sharda, Piyush

    2018-01-01

    We compute the concentrations of five transition elements (Cr, Fe, Co, Ni, and Zn) via condensation and implantation in supernova presolar grains (Silicon Carbide Type X) from the time they condense until the end of the free expansion (or pre-Sedov) phase. We consider relative velocities of these elements with respect to grains as they condense and evolve at temperatures ≲2000 K; use zonal nucleosynthesis yields for three core collapse supernovae models ‑15 M ⊙, 20 M ⊙, and 25 M ⊙ and use an ion target simulator SDTrimSP to model their implantation onto the grains. Simulations from SDTrimSP show that maximal implantation in the core of the grain is possible, contrary to previous studies. Among the available models, we find that the 15 M ⊙ model best explains the measured concentrations of SiC X grains obtained from the Murchison meteorite. For grains where measured concentrations of Fe and Ni are ≳300 ppm, we find the implantation fraction to be ≲0.25 for most probable differential zonal velocities in this phase, which implies that condensation is more dominant than implantation. We show that radioactive corrections and mixing from the innermost Ni and Si zones are required to explain the excess Ni (condensed as well as implanted) in these grains. This mixing also explains the relative abundances of Co and Ni with respect to Fe simultaneously. The model developed can be used to predict concentrations of all other elements in various presolar grains condensed in supernova ejecta and compared with measured concentrations in grains found in meteorites.

  9. Direct contact condensation induced transition from stratified to slug flow

    International Nuclear Information System (INIS)

    Strubelj, Luka; Ezsoel, Gyoergy; Tiselj, Iztok

    2010-01-01

    Selected condensation-induced water hammer experiments performed on PMK-2 device were numerically modelled with three-dimensional two-fluid models of computer codes NEPTUNE C FD and CFX. Experimental setup consists of the horizontal pipe filled with the hot steam that is being slowly flooded with cold water. In most of the experimental cases, slow flooding of the pipe was abruptly interrupted by a strong slugging and water hammer, while in the selected experimental runs performed at higher initial pressures and temperatures that are analysed in the present work, the transition from the stratified into the slug flow was not accompanied by the water hammer pressure peak. That makes these cases more suitable tests for evaluation of the various condensation models in the horizontally stratified flows and puts them in the range of the available CFD (Computational Fluid Dynamics) codes. The key models for successful simulation appear to be the condensation model of the hot vapour on the cold liquid and the interfacial momentum transfer model. The surface renewal types of condensation correlations, developed for condensation in the stratified flows, were used in the simulations and were applied also in the regions of the slug flow. The 'large interface' model for inter-phase momentum transfer model was compared to the bubble drag model. The CFD simulations quantitatively captured the main phenomena of the experiments, while the stochastic nature of the particular condensation-induced water hammer experiments did not allow detailed prediction of the time and position of the slug formation in the pipe. We have clearly shown that even the selected experiments without water hammer present a tough test for the applied CFD codes, while modelling of the water hammer pressure peaks in two-phase flow, being a strongly compressible flow phenomena, is beyond the capability of the current CFD codes.

  10. Charged ρ Meson Condensate in Neutron Stars within RMF Models

    Directory of Open Access Journals (Sweden)

    Konstantin A. Maslov

    2017-12-01

    Full Text Available Knowledge of the equation of state (EoS of cold and dense baryonic matter is essential for the description of properties of neutron stars (NSs. With an increase of the density, new baryon species can appear in NS matter, as well as various meson condensates. In previous works, we developed relativistic mean-field (RMF models with hyperons and Δ -isobars, which passed the majority of known experimental constraints, including the existence of a 2 M ⊙ neutron star. In this contribution, we present results of the inclusion of ρ − -meson condensation into these models. We have shown that, in one class of the models (so-called KVOR-based models, in which the additional stiffening procedure is introduced in the isoscalar sector, the condensation gives only a small contribution to the EoS. In another class of the models (MKVOR-based models with additional stiffening in isovector sector, the condensation can lead to a first-order phase transition and a substantial decrease of the NS mass. Nevertheless, in all resulting models, the condensation does not spoil the description of the experimental constraints.

  11. Spontaneous formation of quantized vortices in Bose-Einstein condensates

    Science.gov (United States)

    Weiler, Chad Nathan

    Phase transitions abound in the physical world, from the subatomic length scales of quark condensation to the decoupling forces in the early universe. In the Bose-Einstein condensation phase transition, a gas of trapped bosonic atoms is cooled to a critical temperature. Below this temperature, a macroscopic number of atoms suddenly starts to occupy a single quantum state; these atoms comprise the Bose-Einstein condensate (BEC). The dynamics of the BEC phase transition are the focus of this dissertation and the experiments described here have provided new information on the details of BEC formation. New theoretical developments are proving to be valuable tools for describing BEC phase transition dynamics and interpreting new experimental results. With their amenability to optical manipulation and probing along with the advent of new microscopic theories, BECs provide an important new avenue for gaining insight into the universal dynamics of phase transitions in general. Spontaneous symmetry breaking in the system's order parameter may be one result of cooling through a phase transition. A potential consequence of this is the spontaneous formation of topological defects, which in a BEC appear as vortices. We experimentally observed and characterized the spontaneous formation of vortices during BEC growth. We attribute vortex creation to coherence length limitations during the initial stages of the phase transition. Parallel to these experimental observations, theory collaborators have used the Stochastic Gross-Pitaevski Equation formalism to simulate the growth of a condensate from a thermal cloud. The experimental and theoretical statistical results of the spontaneous formation of vortex cores during the growth of the condensate are in good quantitative agreement with one another, supporting our understanding of the dynamics of the phase transition. We believe that our results are also qualitatively consistent with the Kibble-Zurek mechanism, a universal model for

  12. Condensation of bosons with Rashba-Dresselhaus spin-orbit coupling

    International Nuclear Information System (INIS)

    Baym, Gordon; Ozawa, Tomoki

    2014-01-01

    Cold atomic Bose-Einstein systems in the presence of simulated Rashba- Dresselhaus spin-orbit coupling exhibit novel physical features. With pure in-plane Rashba coupling the system is predicted in Bogoliubov-Hartree-Fock to have a stable Bose condensate below a critical temperature, even though the effective density of states is two-dimensional. In addition the system has a normal state at all temperatures. We review here the new physics when the system has such spin-orbit coupling, and discuss the nature of the finite temperature condensation phase transition from the normal to condensed phases.

  13. Characterization of Thermochemically Surface-Hardened Titanium by Light Optical Microscopy

    DEFF Research Database (Denmark)

    Gammeltoft-Hansen, Niklas; Munch, Steffen S.; Jellesen, Morten Stendahl

    2017-01-01

    Thermochemically treated titanium grades 2 and 5 were investigated by light optical microscopy and hardness indentation. Gaseous oxidation in oxygen and N2O containing atmospheres resulted in a diffusion zone of oxygen in solid solution in titanium with a hardness up to 1000 HV. A surface scale...

  14. Thermochemical stability and friction properties of soft organosilica networks for solid lubrication

    NARCIS (Netherlands)

    Gonzalez Rodriguez, P.; Dral, A. Petra; van den Nieuwenhuijzen, Karin J.H.; Lette, Walter; Schipper, Dik J.; ten Elshof, Johan E.

    2018-01-01

    In view of their possible application as high temperature solid lubricants, the tribological and thermochemical properties of several organosilica networks were investigated over a range of temperatures between 25 and 580 °C. Organosilica networks, obtained from monomers with terminal and bridging

  15. A review on the properties of salt hydrates for thermochemical storage

    NARCIS (Netherlands)

    Trausel, F.; Jong, A.J. de; Cuypers, R.

    2014-01-01

    Solar energy is capable of supplying enough energy to answer the total demand of energy in dwellings. However, because of the discrepancy between energy supply and energy demand, an efficient way of storing thermal energy is crucial. Thermochemical storage of heat in salt hydrates provides an

  16. Improving Students' Chemical Literacy Levels on Thermochemical and Thermodynamics Concepts through a Context-Based Approach

    Science.gov (United States)

    Cigdemoglu, Ceyhan; Geban, Omer

    2015-01-01

    The aim of this study was to delve into the effect of context-based approach (CBA) over traditional instruction (TI) on students' chemical literacy level related to thermochemical and thermodynamics concepts. Four eleventh-grade classes with 118 students in total taught by two teachers from a public high school in 2012 fall semester were enrolled…

  17. Neutralization and Acid Dissociation of Hydrogen Carbonate Ion: A Thermochemical Approach

    Science.gov (United States)

    Koga, Nobuyoshi; Shigedomi, Kana; Kimura, Tomoyasu; Tatsuoka, Tomoyuki; Mishima, Saki

    2013-01-01

    A laboratory inquiry into the thermochemical relationships in the reaction between aqueous solutions of NaHCO[subscript 3] and NaOH is described. The enthalpy change for this reaction, delta[subscript r]H, and that for neutralization of strong acid and NaOH(aq), delta[subscript n]H, are determined calorimetrically; the explanation for the…

  18. Experimental results of a 3 k Wh thermochemical heat storage module for space heating application

    NARCIS (Netherlands)

    Finck, C.J.; Henquet, E.M.R.; Soest, C.F.L. van; Oversloot, H.P.; Jong, A.J. de; Cuypers, R.; Spijker, J.C. van 't

    2014-01-01

    A 3 kWh thermochemical heat storage (TCS) module was built as part of an all-in house system implementation focusing on space heating application at a temperature level of 40 ºC and a temperature lift of 20 K. It has been tested and measurements showed a maximum water circuit temperature span

  19. Recommended Ideal-Gas Thermochemical Functions for Heavy Water and its Substituent Isotopologues

    Czech Academy of Sciences Publication Activity Database

    Simkó, I.; Furtenbacher, T.; Hrubý, Jan; Zobov, N. F.; Polyansky, O. L.; Tennyson, J.; Gamache, R. R.; Szidarovszky, T.; Dénes, N.; Császár, A. G.

    2017-01-01

    Roč. 46, č. 2 (2017), č. článku 023104. ISSN 0047-2689 R&D Projects: GA ČR GA16-02647S Institutional support: RVO:61388998 Keywords : heavy water * ideal-gas thermochemical functions * partition function Subject RIV: BJ - Thermodynamics OBOR OECD: Thermodynamics Impact factor: 4.204, year: 2016

  20. Evaluation energy efficiency of bioconversion knot rejects to ethanol in comparison to other thermochemically pretreated biomass

    Science.gov (United States)

    Zhaojiang Wang; Menghua Qin; J.Y. Zhu; Guoyu Tian; Zongquan. Li

    2013-01-01

    Rejects from sulfite pulp mill that otherwise would be disposed of by incineration were converted to ethanol by a combined physical–biological process that was comprised of physical refining and simultaneous saccharification and fermentation (SSF). The energy efficiency was evaluated with comparison to thermochemically pretreated biomass, such as those pretreated by...

  1. Evolution of the continental upper mantle : numerical modelling of thermo-chemical convection including partial melting

    NARCIS (Netherlands)

    de Smet, J.H.

    1999-01-01

    This thesis elaborates on the evolution of the continental upper mantle based on numerical modelling results. The descriptive and explanatory basis is formed by a numerical thermo-chemical convection model. The model evolution starts in the early Archaean about 4 billion years ago. The model follows

  2. Evolution of the continental upper mantle : numerical modelling of thermo-chemical convection including partial melting

    NARCIS (Netherlands)

    Smet, J.H. de

    1999-01-01

    This thesis elaborates on the evolution of the continental upper mantle based on numerical modelling results. The descriptive and explanatory basis is formed by a numerical thermo-chemical convection model. The model evolution starts in the early Archaean about 4 billion years ago. The model

  3. Design of GA thermochemical water-splitting process for the Mirror Advanced Reactor System

    International Nuclear Information System (INIS)

    Brown, L.C.

    1983-04-01

    GA interfaced the sulfur-iodine thermochemical water-splitting cycle to the Mirror Advanced Reactor System (MARS). The results of this effort follow as one section and part of a second section to be included in the MARS final report. This section describes the process and its interface to the reactor. The capital and operating costs for the hydrogen plant are described

  4. POTENTIAL DIMETHYLMERCURY CONCENTRATION IN WATER & ORGANIC CONDENSATE

    Energy Technology Data Exchange (ETDEWEB)

    MEACHAM, J.E.

    2004-12-28

    This document bounds potential dimethylmercury concentration in water or organic condensate that might form in ventilation systems or cooler tank regions. Dimethylmercury concentrations were extremely low and would be below drinking water standards in the water condensate.

  5. Condensation and Wetting Dynamics on Micro/Nano-Structured Surfaces

    Science.gov (United States)

    Olceroglu, Emre

    Because of their adjustable wetting characteristics, micro/nanostructured surfaces are attractive for the enhancement of phase-change heat transfer where liquid-solid-vapor interactions are important. Condensation, evaporation, and boiling processes are traditionally used in a variety of applications including water harvesting, desalination, industrial power generation, HVAC, and thermal management systems. Although they have been studied by numerous researchers, there is currently a lack of understanding of the underlying mechanisms by which structured surfaces improve heat transfer during phase-change. This PhD dissertation focuses on condensation onto engineered surfaces including fabrication aspect, the physics of phase-change, and the operational limitations of engineered surfaces. While superhydrophobic condensation has been shown to produce high heat transfer rates, several critical issues remain in the field. These include surface manufacturability, heat transfer coefficient measurement limitations at low heat fluxes, failure due to surface flooding at high supersaturations, insufficient modeling of droplet growth rates, and the inherent issues associated with maintenance of non-wetted surface structures. Each of these issues is investigated in this thesis, leading to several contributions to the field of condensation on engineered surfaces. A variety of engineered surfaces have been fabricated and characterized, including nanostructured and hierarchically-structured superhydrophobic surfaces. The Tobacco mosaic virus (TMV) is used here as a biological template for the fabrication of nickel nanostructures, which are subsequently functionalized to achieve superhydrophobicity. This technique is simple and sustainable, and requires no applied heat or external power, thus making it easily extendable to a variety of common heat transfer materials and complex geometries. To measure heat transfer rates during superhydrophobic condensation in the presence of non-condensable

  6. Thermochemical considerations in MOCVD high Tc thin film deposition

    Science.gov (United States)

    Pisch, A.; Weiss, F.; Bernard, C.

    1994-12-01

    The phase relations in the YBaCuO system in air have been studied intensively in the last few years and the equilibria around the superconducting phase are well established. Thermodynamic equilibrium calculations present the first step to optimize any CVD process. We will present a review of the phase equilibria at low oxygen partial pressure and some results of MOCVD process simulations varying different experimental parameters.

  7. Molecular simulation of steady-state evaporation and condensation in the presence of a non-condensable gas

    Science.gov (United States)

    Liang, Zhi; Keblinski, Pawel

    2018-02-01

    Using molecular dynamics simulations, we study evaporation and condensation of fluid Ar in the presence of a non-condensable Ne gas in a nanochannel. The evaporation and condensation are driven by the temperature difference, ΔTL, between the evaporating and condensing liquid surfaces. The steady-state evaporation and condensation fluxes (JMD) are also affected by the Ne concentration, ρNe, and the nanochannel length. We find that across a wide range of ΔTL and ρNe, JMD is in good agreement with the prediction from Stefan's law and from Schrage relationships. Furthermore, for ΔTL less than ˜20% of the absolute average temperature, we find that both steady-state heat and mass fluxes are proportional to ΔTL. This allows us to determine the interfacial resistance to the heat and mass transfer and compare it with the corresponding resistances in the gas phase. In this context, we derive an analytical expression for the effective thermal conductivity of the gas region in the nanochannel and the mass transport interfacial resistance equivalent length, i.e., the length of the nanochannel for which the resistance to the mass flow is the same as the interfacial resistance to the mass flow.

  8. Charge Screening in a Charged Condensate

    International Nuclear Information System (INIS)

    Gabadadze, Gregory; Rosen, Rachel A.

    2009-01-01

    We consider a highly dense system of helium-4 nuclei and electrons in which the helium-4 nuclei have condensed. We present the condensation mechanism in the framework of low energy effective field theory and discuss the screening of electric charge in the condensate.

  9. Computations for a condenser. Experimental results

    International Nuclear Information System (INIS)

    Walden, Jean.

    1975-01-01

    Computations for condensers are presented with experimental results. The computations are concerned with the steam flux at the condenser input, and inside the tube bundle. Experimental results are given for the flux inside the condenser sleeve and the flow passing through the tube bundle [fr

  10. Direct, nondestructive observation of a Bose condensate

    NARCIS (Netherlands)

    Andrews, M.R.; Mewes, M.O.; van Druten, N.J.; Durfee, D.S.; Kurn, D.M.; Ketterle, W.

    1996-01-01

    The spatial observation of a Bose condensate is reported. Dispersive light scattering was used to observe the separation between the condensed and normal components of the Bose gas inside a magnetic trap. This technique is nondestructive, and about a hundred images of the same condensate can be

  11. Droplet size distribution in condensing flow

    NARCIS (Netherlands)

    Sidin, R.S.R.

    2009-01-01

    In this thesis, the problem of predicting the droplet size distribution in condensing ow is in- vestigated numerically and analytically. The work focuses on two types of problems: one where condensation occurs during the transonic expansion of a vapor-mixture, and a second one where condensation

  12. Bose-Einstein condensate in a rapidly rotating nonsymmetric trap

    Science.gov (United States)

    Fetter, Alexander L.

    2010-03-01

    A rapidly rotating Bose-Einstein condensate in a symmetric two-dimensional harmonic trap can be described with the lowest Landau-level set of single-particle states. The condensate wave function ψ(x,y) is a Gaussian ∝exp(-r2/2), multiplied by an analytic function f(z) of the complex variable z=x+iy. The criterion for a quantum phase transition to a non-superfluid correlated many-body state is usually expressed in terms of the ratio of the number of particles to the number of vortices. Here a similar description applies to a rapidly rotating nonsymmetric two-dimensional trap with arbitrary quadratic anisotropy (ωx2<ωy2). The corresponding condensate wave function ψ(x,y) is a complex anisotropic Gaussian with a phase proportional to xy, multiplied by an analytic function f(z), where z=x+iβ-y is a stretched complex variable and 0⩽β-⩽1 is a real parameter that depends on the trap anisotropy and the rotation frequency. Both in the mean-field Thomas-Fermi approximation and in the mean-field lowest Landau level approximation with many visible vortices, an anisotropic parabolic density profile minimizes the energy. An elongated condensate grows along the soft trap direction yet ultimately shrinks along the tight trap direction. The criterion for the quantum phase transition to a correlated state is generalized (1) in terms of N/Lz, which suggests that a nonsymmetric trap should make it easier to observe this transition, or (2) in terms of a “fragmented” correlated state, which suggests that a nonsymmetric trap should make it harder to observe this transition. An alternative scenario involves a crossover to a quasi one-dimensional condensate without visible vortices, as suggested by Aftalion , Phys. Rev. A 79, 011603(R) (2009).

  13. Numerical Modeling of Deep Mantle Flow: Thermochemical Convection and Entrainment

    Science.gov (United States)

    Mulyukova, Elvira; Steinberger, Bernhard; Dabrowski, Marcin; Sobolev, Stephan

    2013-04-01

    ) upwelling of the ambient material in the vicinity of the dense material (mechanism of selective withdrawal (Lister, 1989)), and (iii) cold downwellings sliding along the bottom boundary, and forcing the dense material upwards. The objective of this study is to compare the efficiency of entrainment by each of these mechanisms, and its dependence on the density and viscosity anomaly of the dense material with respect to the ambient mantle. To perform this study, we have developed a two-dimensional FEM code to model thermal convection in a hollow cylinder domain with presence of chemical heterogeneities, and using a realistic viscosity profile. We present the results of the simulations that demonstrate the entrainment mechanisms described above. In addition, we perfom numerical experiments in a Cartesian box domain, where the bottom right boundary of the box is deformed to resemble the geometry of an LLSVP edge. In some of the experiments, the bottom left part of the boundary is moving towards the right boundary, simulating a slab sliding along the core-mantle boundary towards an LLSVP. These experiments allow a detailed study of the process of entrainment, and its role in the thermochemical evolution of the Earth.

  14. Modelling of film condensation in presence of non condensable gases

    International Nuclear Information System (INIS)

    Genevieve Geffraye; Dominique Bestion; Vladimir Kalitvianski

    2005-01-01

    Full text of publication follows: This paper presents recent developments in the modelling of the condensation due to heat removal from a wall with a possible presence of hydrogen, nitrogen, or air. This work is mainly concerned with nuclear reactor safety with particular reference to situations related to new reactor design, cold shutdown state and severe accident analysis. Film condensation of steam in presence of nitrogen and helium in a tube has been investigated in the COTURNE experiment in a rather large range of parameters, pressure (from 0.1 to 7 Mpa), heat flux (0.1 to 6 W/cm 2 ), mass fraction of noncondensable gas (0 to 1) and also in presence of superheated steam. The experiment represents a Steam Generator tube of a Pressurised Water Reactor and can simulate both co-current or countercurrent flow of steam and water.The models are implemented in the CATHARE code used for nuclear reactor thermal-hydraulics. The code uses two mass balance equations for liquid and gas, two momentum balance equations for liquid and gas and two energy balance equations for liquid and gas. Additional mass transport equations can be added for each non condensable gas. Heat transfers from wall to liquid film, from liquid to interface and gas to interface are modelled. The liquid film heat transfer coefficient is first investigated in pure saturated steam conditions in the pressure range from 0.1 to 7 Mpa. The CATHARE film condensation model in pure steam conditions is derived from Chen's correlation. Chen proposes a general correlation for the film condensation, covering the wavy-laminar and the turbulent film regimes and taking into account the interfacial friction effect. A large data base of laminar film regime was used including COTURNE data other available data found in the literature. The analysis of these data base suggests an influence of the liquid Reynolds number, according to the Nusselt theory, and also of the Eoetvoes number, with surface tension effects. A

  15. On nitrogen condensation in hypersonic nozzle flows: Numerical method and parametric study

    KAUST Repository

    Lin, Longyuan

    2013-12-17

    A numerical method for calculating two-dimensional planar and axisymmetric hypersonic nozzle flows with nitrogen condensation is developed. The classical nucleation theory with an empirical correction function and the modified Gyarmathy model are used to describe the nucleation rate and the droplet growth, respectively. The conservation of the liquid phase is described by a finite number of moments of the size distribution function. The moment equations are then combined with the Euler equations and are solved by the finite-volume method. The numerical method is first validated by comparing its prediction with experimental results from the literature. The effects of nitrogen condensation on hypersonic nozzle flows are then numerically examined. The parameters at the nozzle exit under the conditions of condensation and no-condensation are evaluated. For the condensation case, the static pressure, the static temperature, and the amount of condensed fluid at the nozzle exit decrease with the increase of the total temperature. Compared with the no-condensation case, both the static pressure and temperature at the nozzle exit increase, and the Mach number decreases due to the nitrogen condensation. It is also indicated that preheating the nitrogen gas is necessary to avoid the nitrogen condensation even for a hypersonic nozzle with a Mach number of 5 operating at room temperatures. © 2013 Springer-Verlag Berlin Heidelberg.

  16. A Robust, Gravity-Insensitive, High-Temperature Condenser for Water Recovery

    Science.gov (United States)

    Chen, Weibo; Conboy, Thomas; Ewert, Michael

    2016-01-01

    Regenerative life support systems are vital for NASA's future long-duration human space exploration missions. A Heat Melt Compactor (HMC) system is being developed by NASA to dry and compress trash generated during space missions. The resulting water vapor is recovered and separated from the process gas flow by a gravity-insensitive condenser. Creare is developing a high-temperature condenser for this application. The entire condenser is constructed from metals that have excellent resistance to chemical attack from contaminants and is suitable for high-temperature operation. The metal construction and design configuration also offer greatest flexibility for potential coating and regeneration processes to reduce biofilm growth and thus enhancing the reliability of the condenser. The proposed condenser builds on the gravity-insensitive phase separator technology Creare developed for aircraft and spacecraft applications. This paper will first discuss the design requirements for the condenser in an HMC system that will be demonstrated on the International Space Station (ISS). Then, it will present the overall design of the condenser and the preliminary thermal test results of a subscale condenser. Finally, this paper will discuss the predicted performance of the full-size condenser and the development plan to mature the technology and enhance its long-term reliability for a flight system.

  17. Fundamentals of condensed matter physics

    CERN Document Server

    Cohen, Marvin L

    2016-01-01

    Based on an established course and covering the fundamentals, central areas, and contemporary topics of this diverse field, Fundamentals of Condensed Matter Physics is a much-needed textbook for graduate students. The book begins with an introduction to the modern conceptual models of a solid from the points of view of interacting atoms and elementary excitations. It then provides students with a thorough grounding in electronic structure as a starting point to understand many properties of condensed matter systems - electronic, structural, vibrational, thermal, optical, transport, magnetic and superconductivity - and methods to calculate them. Taking readers through the concepts and techniques, the text gives both theoretically and experimentally inclined students the knowledge needed for research and teaching careers in this field. It features 200 illustrations, 40 worked examples and 150 homework problems for students to test their understanding. Solutions to the problems for instructors are available at w...

  18. LOFCON-LOFT condenser program

    International Nuclear Information System (INIS)

    Lemmon, E.C.; MacKay, D.B.

    1978-01-01

    LOFCON is a program developed for the LOFT air condenser system contained in the secondary coolant system. Although the basic theory described herein is general, the program given is not--it is specifically for the LOFT configuration. LOFCON is presented in subroutine form so that it may be easily incorporated into a larger program describing the complete secondary side. Specifically LOFCON was written to be incorporated into the detailed CSMP model of the LOFT secondary coolant system simulation

  19. LOFCON-LOFT condenser program

    Energy Technology Data Exchange (ETDEWEB)

    Lemmon, E.C.; MacKay, D.B.

    1978-05-26

    LOFCON is a program developed for the LOFT air condenser system contained in the secondary coolant system. Although the basic theory described herein is general, the program given is not--it is specifically for the LOFT configuration. LOFCON is presented in subroutine form so that it may be easily incorporated into a larger program describing the complete secondary side. Specifically LOFCON was written to be incorporated into the detailed CSMP model of the LOFT secondary coolant system simulation.

  20. Advances in condensed matter optics

    CERN Document Server

    Chen, Liangyao; Jiang, Xunya; Jin, Kuijuan; Liu, Hui; Zhao, Haibin

    2015-01-01

    This book describes some of the more recent progresses and developmentsin the study of condensed matter optics in both theoretic and experimental fields.It will help readers, especially graduate students and scientists who are studying and working in the nano-photonic field, to understand more deeply the characteristics of light waves propagated in nano-structure-based materials with potential applications in the future.

  1. Numerical Simulation of Condensation of Sulfuric Acid and Water in a Large Two-stroke Marine Diesel Engine

    DEFF Research Database (Denmark)

    Walther, Jens Honore; Karvounis, Nikolas; Pang, Kar Mun

    2016-01-01

    on the sulfuric acid gas phase. A linear correlation is found between the fuel sulfur content and the sulfuric acid condensation rate. The initial in-cylinder water content is found not to affect the sulfuric acid condensation but it has a high impact on water condensation. The scavenging pressure level shows...... an inverse correlation between pressure and condensation rate due to change in the flame propagation speed. Finally, increasing the cylinder liner temperature significantly decreases water condensation but has a negligible influence on the condensation of sulfuric acid.......We present results from computational fluid dynamics simulations of the condensation of sulfuric acid (H2SO4) and water (H2O) in a large two-stroke marine diesel engine. The model uses a reduced n-heptane skeletal chemical mechanism coupled with a sulfur subsetto simulate the combustion process...

  2. Accelerators for condensed matter research

    International Nuclear Information System (INIS)

    Williams, P.R.

    1990-01-01

    The requirement for high energy, high luminosity beams has stimulated the science and engineering of accelerators to a point where they open up opportunities for new areas of scientific application to benefit from the advances driven by particle physics. One area of great importance is the use of electron or positron storage rings as a source of intense VUV or X-ray synchrotron radiation. An accelerator application that has grown in prominence over the last 10 years has been spallation neutron sources. Neutrons offer an advantage over X-rays as a condensed matter probe because the neutron energy is usually of the same order as the room temperature thermal energy fluctuations in the sample being studied. Another area in which accelerators are playing an increasingly important role in condensed matter research concerns the use of Mu mesons, Muons, as a probe. This paper also presents a description of the ISIS Spallation Neutron Source. The design and status of the facility are described, and examples are given of its application to the study of condensed matter. (N.K.)

  3. Theory of laminar film condensation

    CERN Document Server

    Fujii, Tetsu

    1991-01-01

    Since the petroleum crisis in the 1970s, a lot of effort to save energy was made in industry, and remarkable achievements have been made. In the research and development concerning thermal energy, however, it was clar­ ified that one of the most important problems was manufacturing con­ densing systems with smaller size and higher performance. To solve this problem we need a method which synthesizes selections_ of the type of con­ denser, cooling tube and its arrangement, assessment of fouling on the cooling surfaces, consideration of transient characteristics of a condenser, etc. The majority of effort, however, has been to devise a surface element which enhances the heat transfer coefficient in condensation of a single or multicomponent vapor. Condensation phenomena are complexly affected by a lot of physical property values, and accordingly the results of theo­ retical research are expressed with several dimensionless parameters. On the other hand, the experimental research is limited to those with som...

  4. Analytical methodologies for broad metabolite coverage of exhaled breath condensate.

    Science.gov (United States)

    Aksenov, Alexander A; Zamuruyev, Konstantin O; Pasamontes, Alberto; Brown, Joshua F; Schivo, Michael; Foutouhi, Soraya; Weimer, Bart C; Kenyon, Nicholas J; Davis, Cristina E

    2017-09-01

    Breath analysis has been gaining popularity as a non-invasive technique that is amenable to a broad range of medical uses. One of the persistent problems hampering the wide application of the breath analysis method is measurement variability of metabolite abundances stemming from differences in both sampling and analysis methodologies used in various studies. Mass spectrometry has been a method of choice for comprehensive metabolomic analysis. For the first time in the present study, we juxtapose the most commonly employed mass spectrometry-based analysis methodologies and directly compare the resultant coverages of detected compounds in exhaled breath condensate in order to guide methodology choices for exhaled breath condensate analysis studies. Four methods were explored to broaden the range of measured compounds across both the volatile and non-volatile domain. Liquid phase sampling with polyacrylate Solid-Phase MicroExtraction fiber, liquid phase extraction with a polydimethylsiloxane patch, and headspace sampling using Carboxen/Polydimethylsiloxane Solid-Phase MicroExtraction (SPME) followed by gas chromatography mass spectrometry were tested for the analysis of volatile fraction. Hydrophilic interaction liquid chromatography and reversed-phase chromatography high performance liquid chromatography mass spectrometry were used for analysis of non-volatile fraction. We found that liquid phase breath condensate extraction was notably superior compared to headspace extraction and differences in employed sorbents manifested altered metabolite coverages. The most pronounced effect was substantially enhanced metabolite capture for larger, higher-boiling compounds using polyacrylate SPME liquid phase sampling. The analysis of the non-volatile fraction of breath condensate by hydrophilic and reverse phase high performance liquid chromatography mass spectrometry indicated orthogonal metabolite coverage by these chromatography modes. We found that the metabolite coverage

  5. Thermochemical parameters of minerals from oxygen-buffered hydrothermal equilibrium data: Method, application to annite and almandine

    Science.gov (United States)

    Zen, E.-A.

    1973-01-01

    Reversed univariant hydrothermal phase-equilibrium reactions, in which a redox reaction occurs and is controlled by oxygen buffers, can be used to extract thermochemical data on minerals. The dominant gaseous species present, even for relatively oxidizing buffers such as the QFM buffer, are H2O and H2; the main problem is to calculate the chemical potentials of these components in a binary mixture. The mixing of these two species in the gas phase was assumed by Eugster and Wones (1962) to be ideal; this assumption allows calculation of the chemical potentials of the two components in a binary gas mixture, using data in the literature. A simple-mixture model of nonideal mixing, such as that proposed by Shaw (1967), can also be combined with the equations of state for oxygen buffers to permit derivation of the chemical potentials of the two components. The two mixing models yield closely comparable results for the more oxidizing buffers such as the QFM buffer. For reducing buffers such as IQF, the nonideal-mixing correction can be significant and the Shaw model is better. The procedure of calculation of mineralogical thermochemical data, in reactions where hydrogen and H2O simultaneously appear, is applied to the experimental data on annite, given by Wones et al. (1971), and on almandine, given by Hsu (1968). For annite the results are: Standard entropy of formation from the elements, Sf0 (298, 1)=-283.35??2.2 gb/gf, S0 (298, 1) =+92.5 gb/gf. Gf0 (298, 1)=-1148.2??6 kcal, and Hf0 (298, 1)=-1232.7??7 kcal. For almandine, the calculation takes into account the mutual solution of FeAl2O4 (Hc) in magnetite and of Fe3O4 (Mt) in hercynite and the temperature dependence of this solid solution, as given by Turnock and Eugster (1962); the calculations assume a regular-solution model for this binary spinel system. The standard entropy of formation of almandine, Sf,A0 (298, 1) is -272.33??3 gb/gf. The third law entropy, S0 (298, 1) is +68.3??3 gb/gf, a value much less than the

  6. Calcium-induced chromatin condensation and cyclin phosphorylation during chromatin condensation cycles in ammonia-activated sea urchin eggs.

    Science.gov (United States)

    Patel, R; Twigg, J; Crossley, I; Golsteyn, R; Whitaker, M

    1989-01-01

    Ammonia-activated sea urchin eggs undergo repeated cycles of DNA synthesis, nuclear envelope breakdown (NEB) and chromatin condensation. No mitotic spindle forms, nor do the eggs undergo cytokinesis. Ammonia-activated eggs exhibit a form of the cell cycle in which the nuclear cycle proceeds without segregation of the chromatin into daughter cells. We discuss here experiments that demonstrate that intracellular free calcium concentration controls the S phase-M phase transition in ammonia-activated eggs, as it does in fertilized embryos. Cyclins are proteins that are synthesized throughout the cell cycle and destroyed abruptly during each round of chromatin condensation. We find that cycles of cyclin phosphorylation and destruction occur coincident with chromatin condensation in ammonia-activated eggs. Cyclin phosphorylation also occurs in eggs treated with the tumour promoter, phorbol myristate acetate (PMA). There is no accompanying NEB or chromatin condensation, however, and the nucleus is insensitive to exogenously-generated calcium transients. These latter data indicate that cyclin synthesis and phosphorylation is not a sufficient condition for calcium-induced NEB in sea urchin embryos. PMA must fail to induce one of the necessary cell cycle initiation signals. We suggest that the missing signal is the activation of the cell cycle control protein p34cdc2, which we have shown to be phosphorylated at fertilization and which is phosphorylated in ammonia-activated eggs.

  7. Destabilization in the isomeric nitrobenzonitriles: an experimental thermochemical study

    International Nuclear Information System (INIS)

    Roux, Maria Victoria; Jimenez, Pilar; Davalos, Juan Z.; Temprado, Manuel; Liebman, Joel F.

    2003-01-01

    The enthalpies of combustion and of sublimation, respectively, of the three isomeric nitrobenzonitriles have been measured: o-, {(-3456.3±2.9), (88.1±1.4)} kJ·mol -1 ; m-, {(-3442.8±3.3), (92.8±0.3)} kJ·mol -1 ; p-, {(-3448.2±3.6), (91.1±1.3)} kJ·mol -1 . In turn, from these values, the standard molar enthalpies of formation for the condensed and gaseous state, respectively, have been derived: o-, {(130.1±3.1), (218.2±3.4)} kJ·mol -1 ; m-, {(116.5±3.5), (209.3±3.5)} kJ·mol -1 ; p-, {(122.0±3.8), (213.1±4.0)} kJ·mol -1 . Destabilization energies associated with the presence of the two electron-withdrawing groups have been determined, for o-, m-, and p-nitrobenzonitrile, {(17.6±4.1), (8.7±4.2), and (12.5±4.6)} kJ·mol -1 , respectively, and are consistent with those obtained for the corresponding sets of isomeric methyl benzenedicarboxylates, dicyanobenzenes, dinitrobenzenes, and (neutral and ionized) nitrobenzoic acids

  8. Bose Einstein condensation of gases in a harmonic potential trap

    Directory of Open Access Journals (Sweden)

    M. E. Zomorrodian

    2005-03-01

    Full Text Available One of the most interesting properties of boson gases is that under special conditions, there is a possibility of a phase transition, in a critical temperature  below  which  all bosons condensate into  the ground state. This phenomenon is called Bose – Einstein Condensation (BEC. In  this paper, we investigate BEC in a harmonic oscillator trap. We conclude that, in contrast to a free boson gas, there is no critical temperature for phase transition in a harmonic oscillator trap. However , by numerical and analytical calculation, it is possible to obtain a temperature at which the heat capacity is maximum. We call this the critical  temperature . Possible explanation for all these features will be explained in this paper.

  9. Vison Condensation and Bond Density Wave Order in the Cuprates

    Science.gov (United States)

    Patel, Aavishkar; Allais, Andrea; Chowdhury, Debanjan; Sachdev, Subir

    We consider Z2 spin liquids on the square lattice. These can undergo a confinement transition to a valence bond solid (VBS) phase via the condensation of vortex excitations carrying Z2 magnetic flux (visons). The resulting condensed phase is described by a fully frustrated Ising model (FFIM) on the dual square lattice, with additional couplings allowed by symmetries. We argue that such a model can also apply to confinement transitions out of the fractionalized Fermi liquid (FL*) states of doped antiferromagnets. We study the low energy states of such a model and discuss their implications for the incommensurate d-form factor bond density wave order observed in several recent experiments on the cuprate superconductors.

  10. Calorimetry of a Bose-Einstein-condensed photon gas

    Science.gov (United States)

    Damm, Tobias; Schmitt, Julian; Liang, Qi; Dung, David; Vewinger, Frank; Weitz, Martin; Klaers, Jan

    2016-04-01

    Phase transitions, as the condensation of a gas to a liquid, are often revealed by a discontinuous behaviour of thermodynamic quantities. For liquid helium, for example, a divergence of the specific heat signals the transition from the normal fluid to the superfluid state. Apart from liquid helium, determining the specific heat of a Bose gas has proven to be a challenging task, for example, for ultracold atomic Bose gases. Here we examine the thermodynamic behaviour of a trapped two-dimensional photon gas, a system that allows us to spectroscopically determine the specific heat and the entropy of a nearly ideal Bose gas from the classical high temperature to the Bose-condensed quantum regime. The critical behaviour at the phase transition is clearly revealed by a cusp singularity of the specific heat. Regarded as a test of quantum statistical mechanics, our results demonstrate a quantitative agreement with its predictions at the microscopic level.

  11. Spatial dynamics and spin squeezing in Bose-Einstein condensates

    International Nuclear Information System (INIS)

    Thanvanthri, Sulakshana; Dutton, Zachary

    2007-01-01

    We develop a cumulant based formalism to deterministically calculate the lowest order quantum fluctuations of a two-component Bose-Einstein condensate. We use this to study spin squeezing induced by the atom-atom interaction nonlinearity. Our formalism naturally accounts for the multimode spatial description of the condensate, extending previous spin squeezing work which assumed a single spatial mode. We study spin squeezing in both the miscible and immiscible (phase separating) regimes for the scattering lengths. In the miscible regime, we find the squeezing parameter deviates very little from the single spatial mode approach, while in the phase separating regime, we find the squeezing is slightly reduced, though significant squeezing still occurs

  12. Thermochemical Sulfate Reduction Simulation Experiments on the Formation and Distribution of Organic Sulfur Compounds in the Tuha Crude Oil

    Energy Technology Data Exchange (ETDEWEB)

    Yue, Changtao; Li, Shuyuan [China Univ. of Petroleum, Beijing (China); Song, He [Research Institute of Petroleum Engineering of CNPC, Tianjin (China)

    2014-07-15

    Thermochemical sulfate reduction (TSR) was conducted in autoclave on the system of crude oil and MgSO{sub 4} at different temperatures. Gas chromatography pulsed flame photometric detector (GC-PFPD) was used to detected the composition of organic sulfur compounds in oil phase products. The results of the analysis indicate that with increased temperature, the contents of organic sulfur compounds with high molecular weight and thermal stability, such as benzothiophenes and dibenzothiophenes, gradually became dominated. In order to gain greater insight into the formation and distribution of organic sulphur compounds from TSR, positive ion electrospray Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) was used in detecting the detailed elemental composition and distribution of them. The mass spectra showed that the mass range of sulfur compounds was 200-550 Da. Four sulfur class species, S{sub 1}, N{sub 1}S{sub 1}, O{sub 1}S{sub 1} and O{sub 2}S{sub 1}, were assigned in the positive-ion spectrum. Among the identified sulfur compounds, the S{sub 1} class species was dominant. The most abundant S{sub 1} class species increase associated with the DBE value and carbon number increasing which also indicates the evolution of organic sulfur compounds in TSR is from the labile series to the stable one. In pure blank pyrolysis experiments with crude oil cracking without TSR, different composition and distribution of organic sulfur compounds in oil phase products were seen from mass spectra in order to evaluate their pyrolysis behaviors without MgSO{sub 4}. FT-IR and XRD were used in analyzing the products of solid phases. Two distinct crystallographic phases MgO and MgSO{sub 4} are found to coexist in the products which demonstrated the transformation of inorganic sulfur compounds into organosulfur compounds exist in TSR.

  13. Static vs dynamic DFT prediction of IR spectra of flexible molecules in the condensed phase: The (ClCF2CF(CF3)OCF2CH3) liquid as a test case

    Science.gov (United States)

    Galimberti, Daria Ruth; Milani, Alberto; Gaigeot, Marie-Pierre; Radice, Stefano; Tonelli, Claudio; Picozzi, Rosaldo; Castiglioni, Chiara

    2017-08-01

    First-principles molecular dynamics (FPMD) simulations in the framework of Density Functional Theory (DFT) are carried out for the prediction of the infrared spectrum of the fluorinated molecule ClCF2CF(CF3)OCF2CH3 in liquid and gas phase. This molecule is characterized by a flexible structure, allowing the co-existence of several stable conformers, that differ by values of the torsional angles. FPMD computed spectra are compared to the experimental ones, and to Boltzmann weighted IR spectra based on gas phase calculations.

  14. Motion of condensates in non-Markovian zero-range dynamics

    Science.gov (United States)

    Hirschberg, Ori; Mukamel, David; Schütz, Gunter M.

    2012-08-01

    The condensation transition in a non-Markovian zero-range process is studied in one and higher dimensions. In the mean-field approximation, corresponding to infinite-range hopping, the model exhibits condensation with a stationary condensate, as in the Markovian case, but with a modified phase diagram. In the case of nearest-neighbor hopping, the condensate is found to drift by means of a ‘slinky’ motion from one site to the next. The mechanism of the drift is explored numerically in detail. A modified model with nearest-neighbor hopping which allows exact calculation of the steady state is introduced. The steady state of this model is found to be a product measure, and the condensate is stationary.

  15. Motion of condensates in non-Markovian zero-range dynamics

    International Nuclear Information System (INIS)

    Hirschberg, Ori; Mukamel, David; Schütz, Gunter M

    2012-01-01

    The condensation transition in a non-Markovian zero-range process is studied in one and higher dimensions. In the mean-field approximation, corresponding to infinite-range hopping, the model exhibits condensation with a stationary condensate, as in the Markovian case, but with a modified phase diagram. In the case of nearest-neighbor hopping, the condensate is found to drift by means of a ‘slinky’ motion from one site to the next. The mechanism of the drift is explored numerically in detail. A modified model with nearest-neighbor hopping which allows exact calculation of the steady state is introduced. The steady state of this model is found to be a product measure, and the condensate is stationary. (paper)

  16. Holistic analysis of thermochemical processes by using solid biomass for fuel production in Germany

    International Nuclear Information System (INIS)

    Henssler, Martin

    2015-01-01

    According to the German act ''Biokraftstoff-Nachhaltigkeitsverordnung'', biofuels must show a CO 2eq -reduction compared to the fossil reference fuel (83.8 g CO 2eq /MJ fuel /Richtlinie 98/70/EG/) of 35 % beginning with 2011. In new plants, which go into operation after the 31.12.2016 the CO 2eq -savings must be higher than 50 % in 2017 and higher than 60 % in 2018 /Biokraft-NachV/. The biofuels (methyl ester of rapeseed, bioethanol and biomethane) considered in this study do not meet these requirements for new plants. To comply with these rules new processes must be deployed. Alternative thermochemical generated fuels could be an option. The aim of this work is to evaluate through a technical, ecological and economic analysis (Well-to-Wheel) whether and under what conditions the thermochemical production of Fischer-Tropsch-diesel or -gasoline, hydrogen (H 2 ) and Substitute Natural Gas (SNG) complies with the targets. Four different processes are considered (fast pyrolysis and torrefaction with entrained flow gasifier, CHOREN Carbo-V registered -gasifier, Absorption Enhanced Reforming (AER-) gasifier). Beside residues such as winter wheat straw and residual forest wood, wood from short-rotation plantations is taken into account. The technical analysis showed that at present status (2010) two and in 2050 six plants can be operated energy-self-sufficient. The overall efficiency of the processes is in the range of 41.5 (Fischer-Tropsch-diesel or -gasoline) and 59.4 % (H 2 ). Furthermore, it was found that for 2010, all thermochemical produced fuels except the H 2 -production from wood from short-rotation plantations in decentralised or central fast pyrolysis and in decentralised torrefactions with entrained flow gasifier keep the required CO 2eq -saving of 60 %. In 2050, all thermochemical produced fuels will reach these limits. The CO 2eq -saving is between 72 (H 2 ) and 95 % (Fischer-Tropsch-diesel or -gasoline). When the production costs of the

  17. Hydrogen production by thermochemical cycles of water splitting coupled to a solar energy source

    International Nuclear Information System (INIS)

    Charvin, P.

    2007-11-01

    The aim of this work is to identify, to test and to estimate new thermochemical cycles able to efficiently produce hydrogen from concentrated solar energy. In fact, the aim is to propose a hydrogen production way presenting a global energetic yield similar to electrolysis, that is to say 20-25%, electrolysis being at the present time the most advanced current process for a clean hydrogen production from water. After a first chapter dealing with the past and present researches on thermochemical cycles, the first step of this study has consisted on a selection of a limited number of thermochemical cycles able to produce great quantities of hydrogen from concentrated solar energy. It has consisted in particular on a review of the thermochemical cycles present in literature, on a first selection from argued criteria, and on an exergetic and thermodynamic analysis of the retained cycles for a first estimation of their potential. The second step of this study deals with the experimental study of all the chemical reactions occurring in the retained cycles. Two different oxides cycles have been particularly chosen and the aims are to demonstrate the feasibility of the reactions, to identify the optimal experimental conditions, to estimate and optimize the kinetics and the chemical yields. The following part of this work deals with the design, the modeling and the test of a solar reactor. A CFD modeling of a high temperature reactor of cavity type allows to identify the main heat losses of the reactor and to optimize the geometry of the cavity. A dynamic modeling of the reactor gives data on its behaviour in transient regime and under a real solar flux. The results of the preliminary experimental results are presented. The last part of this study deals with a process analysis of the thermochemical cycles from the results of the experimental study (experimental conditions, yields...). The matter and energy balances are established in order to estimate the global energetic

  18. Nuclear critical opalescence, a precursor to pion condensation

    International Nuclear Information System (INIS)

    Ericson, M.; Delorme, J.

    1978-03-01

    It is shown that pion condensation in nuclei, a long range phenomenon, has a precursor in the disordered phase, the local ordering of spins which becomes of infinite range at the critical point. A new physical effect arising from this short range order is predicted, namely the enhancement of the static nuclear pion field near the critical momentum. This phenomenon is strongly reminiscent of the critical opalescence observed in the scattering of neutrons by antiferromagnetic subtances

  19. Technology for a Thermo-chemical Ice Penetrator for Icy Moons

    Science.gov (United States)

    Arenberg, Jonathan; Harpole, George; Zamel, James; Sen, Bashwar; Lee, Greg; Ross, Floyd; Retherford, Kurt D.

    2016-10-01

    The ability to place sensors or to take samples below the ice surface enables a wide variety of potential scientific investigations. Penetrating an ice cap can be accomplished via a mechanical drill, laser drill, kinetic impactor, or heated penetrator. This poster reports on the development of technology for the latter most option, namely a self-heated probe driven by an exothermic chemical reaction: a Thermo-chemical ice penetrator (TChIP). Our penetrator design employs a eutectic mix of alkali metals that produce an exothermic reaction upon contact with an icy surface. This reaction increases once the ice starts melting, so no external power is required. This technology is inspired by a classified Cold-War era program developed at Northrop Grumman for the US Navy. Terrestrial demonstration of this technology took place in the Arctic; however, this device cannot be considered high TRL for application at the icy moons of the solar system due to the environmental differences between Earth's Arctic and the icy moons. These differences demand a TChIP design specific to these cold, low mass, airless worlds. It is expected that this model of TChIP performance will be complex, incorporating all of the forces on the penetrator, gravity, the thermo-chemistry at the interface between penetrator and ice, and multi-phase heat and mass transport, and hydrodynamics. Our initial efforts are aimed at the development of a validated set of tools and simulations to predict the performance of the penetrator for both the environment found on these icy moons and for a terrestrial environment. The purpose of the inclusion of the terrestrial environment is to aid in model validation. Once developed and validated, our models will allow us to design penetrators for a specific scientific application on a specific body. This poster discusses the range of scientific investigations that are enabled by TChIP. We also introduce the development plan to advance TChIP to the point where it can be

  20. Thermodynamics and performance of the Mg-H-F system for thermochemical energy storage applications.

    Science.gov (United States)

    Tortoza, Mariana S; Humphries, Terry D; Sheppard, Drew A; Paskevicius, Mark; Rowles, Matthew R; Sofianos, M Veronica; Aguey-Zinsou, Kondo-Francois; Buckley, Craig E

    2018-01-24

    Magnesium hydride (MgH 2 ) is a hydrogen storage material that operates at temperatures above 300 °C. Unfortunately, magnesium sintering occurs above 420 °C, inhibiting its application as a thermal energy storage material. In this study, the substitution of fluorine for hydrogen in MgH 2 to form a range of Mg(H x F 1-x ) 2 (x = 1, 0.95, 0.85, 0.70, 0.50, 0) composites has been utilised to thermodynamically stabilise the material, so it can be used as a thermochemical energy storage material that can replace molten salts in concentrating solar thermal plants. These materials have been studied by in situ synchrotron X-ray diffraction, differential scanning calorimetry, thermogravimetric analysis, temperature-programmed-desorption mass spectrometry and Pressure-Composition-Isothermal (PCI) analysis. Thermal analysis has determined that the thermal stability of Mg-H-F solid solutions increases proportionally with fluorine content, with Mg(H 0.85 F 0.15 ) 2 having a maximum rate of H 2 desorption at 434 °C, with a practical hydrogen capacity of 4.6 ± 0.2 wt% H 2 (theoretical 5.4 wt% H 2 ). An extremely stable Mg(H 0.43 F 0.57 ) 2 phase is formed upon the decomposition of each Mg-H-F composition of which the remaining H 2 is not released until above 505 °C. PCI measurements of Mg(H 0.85 F 0.15 ) 2 have determined the enthalpy (ΔH des ) to be 73.6 ± 0.2 kJ mol -1 H 2 and entropy (ΔS des ) to be 131.2 ± 0.2 J K -1 mol -1 H 2 , which is slightly lower than MgH 2 with ΔH des of 74.06 kJ mol -1 H 2 and ΔS des = 133.4 J K -1 mol -1 H 2 . Cycling studies of Mg(H 0.85 F 0.15 ) 2 over six absorption/desorption cycles between 425 and 480 °C show an increased usable cycling temperature of ∼80 °C compared to bulk MgH 2 , increasing the thermal operating temperatures for technological applications.