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Sample records for condensed phase chemical

  1. 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

  2. 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.

  3. 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

  4. 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.

  5. 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.

  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. 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.

  8. 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.

  9. 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.)

  10. 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.

  11. Theory of terahertz pumping of chemical environments in the condensed phase

    International Nuclear Information System (INIS)

    Mishra, Pankaj Kumar

    2015-12-01

    Newly emerged light-sources allow to generate fully synchronized, ultrashort and highly intense light pulses. With these light pulses, it is possible to initiate a process by a pump pulse and follow the dynamics via probe pulse in the femtosecond timescale. These pump-probe experiments play an important role for studying the chemical and biological processes in real time. Such techniques are also used to generate temperature-jump (T-jump) in ultrashort timescale to study the very fast kinetics of fundamental steps in chemical processes. Because of its biological and chemical relevance, T-jump experiments on liquid water have gained a lot of attention. Rather than acting as a passive environment, the dynamics of water during chemical and biological processes play a fundamental role in the solvation and stabilization of reaction intermediates. To target the O-H stretching mode of water with an infrared (IR) laser is a widely used mechanism to generate the T-jump in nanosecond to femtosecond timescales. With these techniques, T-jump has been limited only to few 10s of K so far. In this thesis, a new mechanism is investigated to generate T-jump up to few 100s of K in sub-ps timescale. The main portion of this thesis concentrates on the response of liquid water to sub-cycle THz pump pulses spectrally centered at 100 cm -1 (∝3 THz). The THz pump pulse with intensity of 5 x 10 12 W/cm 2 transfers a large amount of energy to inter- and intramolecular vibrations of water in sub-ps timescale. After the pump pulse, water reaches to a quasiequilibrium state, which is a gas-like hot liquid. The large energy gain in water causes significant structural modifications and vibrational shifting, which can be probed by timeresolved coherent x-ray scattering and time-resolved IR spectroscopy, respectively. Here, the interaction of THz pulse with water molecules is investigated from clusters to bulk water. We find it to be mainly described via the interaction of electric field with

  12. Characteristic aspects of pion-condensed phases

    International Nuclear Information System (INIS)

    Takatsuka, Tatsuyuki; Tamagaki, Ryozo; Tatsumi, Toshitaka.

    1993-01-01

    Characteristic aspects of pion-condensed phases are described in a simple model, for the system involving only nucleons and pions which interact through the π-N P-wave interaction. We consider one typical version in each of three kinds of pion condensation; the one of neutral pions (π 0 ), the one of charged pions (π C ) and the combined one in which both the π 0 and π C condensations are coexistent. Emphasis is put on the description to clarify the novel structures of the nucleon system which are realized in the pion-condensed phases. At first, it is shown that the π 0 condensation is equivalent to the particular nucleonic phase realized by a structure change of the nucleon system, where the attractive first-order effect of the one-pion-exchange (OPE) tensor force is brought about coherently. The aspects of this phase are characterized by the layered structure with a specific spin-isospin order with one-dimensional localization (named the ALS structure in short), which provides the source function for the condensed π 0 field. We utilize both descriptions with use of fields and potentials for the π 0 condensation. Next, the π C condensation realized in neutron-rich matter is described by adopting a version of the traveling condensed wave. In this phase, the nucleonic structure becomes the Fermi gas consisting of quasi-neutrons described by a superposition of neutron and proton. In this sense the structure change of the nucleon system for the π C condensation is moderate, and the field description is suitable. Finally, we describe a coexistent pion condensation, in which both the π 0 and π C condensations coexist without interference in such a manner that the π C condensation develops in the ALS structure. The model adopted here provides us with the characteristic aspects of the pion-condensed phases persisting in the realistic situation, where other ingredients affecting the pion condensation are taken into account. (author)

  13. Intermolecular interactions in the condensed phase

    DEFF Research Database (Denmark)

    Christensen, Anders S.; Kromann, Jimmy Charnley; Jensen, Jan Halborg

    2017-01-01

    To facilitate further development of approximate quantum mechanical methods for condensed phase applications, we present a new benchmark dataset of intermolecular interaction energies in the solution phase for a set of 15 dimers, each containing one charged monomer. The reference interaction energy...... and solution phases. As most approximate QM methods are parametrized and evaluated using data measured or calculated in the gas phase, the dataset represents an important first step toward calibrating QM based methods for application in the condensed phase where polarization and exchange repulsion need...

  14. 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

  15. Quantum mechanical force fields for condensed phase molecular simulations

    Science.gov (United States)

    Giese, Timothy J.; York, Darrin M.

    2017-09-01

    Molecular simulations are powerful tools for providing atomic-level details into complex chemical and physical processes that occur in the condensed phase. For strongly interacting systems where quantum many-body effects are known to play an important role, density-functional methods are often used to provide the model with the potential energy used to drive dynamics. These methods, however, suffer from two major drawbacks. First, they are often too computationally intensive to practically apply to large systems over long time scales, limiting their scope of application. Second, there remain challenges for these models to obtain the necessary level of accuracy for weak non-bonded interactions to obtain quantitative accuracy for a wide range of condensed phase properties. Quantum mechanical force fields (QMFFs) provide a potential solution to both of these limitations. In this review, we address recent advances in the development of QMFFs for condensed phase simulations. In particular, we examine the development of QMFF models using both approximate and ab initio density-functional models, the treatment of short-ranged non-bonded and long-ranged electrostatic interactions, and stability issues in molecular dynamics calculations. Example calculations are provided for crystalline systems, liquid water, and ionic liquids. We conclude with a perspective for emerging challenges and future research directions.

  16. Hot atom chemistry of monovalent atoms in organic condensed phases

    International Nuclear Information System (INIS)

    Stoecklin, G.

    1975-01-01

    The advantages and disadvantages of hot atom studies in condensed organic phases are considered, and recent advances in condensed phase organic hot atom chemistry of recoil tritium and halogen atoms are discussed. Details are presented of the present status and understanding of liquid phase hot atom chemistry and also that of organic solids. The consequences of the Auger effect in condensed organic systems are also considered. (author)

  17. Heat transfer modelling of two-phase bubbles swarm condensing in three - phase direct - contact condenser

    Directory of Open Access Journals (Sweden)

    Mahood Hameed B.

    2016-01-01

    Full Text Available An analytical model for the convective heat transfer coefficient and the two-phase bubble size of a three-phase direct contact heat exchanger was developed. Until the present, there has only been a theoretical model available that deals with a single two-phase bubble and a bubble train condensation in an immiscible liquid. However, to understand the actual heat transfer process within the three-phase direct contact condenser, characteristic models are required. A quasi - steady energy equation in a spherical coordinate system with a potential flow assumption and a cell model configuration has been simplified and solved analytically. The convective heat transfer in terms of Nu number has been derived, and it was found to be a function to Pe number and a system void fraction. In addition, the two-phase bubble size relates to the system void fraction and has been developed by solving a simple energy balance equation and using the derived convective heat transfer coefficient expression. Furthermore, the model correlates well with previous experimental data and theoretical results.

  18. Modeling the Phase Composition of Gas Condensate in Pipelines

    Science.gov (United States)

    Dudin, S. M.; Zemenkov, Yu D.; Shabarov, A. B.

    2016-10-01

    Gas condensate fields demonstrate a number of thermodynamic characteristics to be considered when they are developed, as well as when gas condensate is transported and processed. A complicated phase behavior of the gas condensate system, as well as the dependence of the extracted raw materials on the phase state of the deposit other conditions being equal, is a key aspect. Therefore, when designing gas condensate lines the crucial task is to select the most appropriate methods of calculating thermophysical properties and phase equilibrium of the transported gas condensate. The paper describes a physical-mathematical model of a gas-liquid flow in the gas condensate line. It was developed based on balance equations of conservation of mass, impulse and energy of the transported medium within the framework of a quasi-1D approach. Constitutive relationships are given separately, and practical recommendations on how to apply the research results are provided as well.

  19. String-net condensation: A physical mechanism for topological phases

    International Nuclear Information System (INIS)

    Levin, Michael A.; Wen Xiaogang

    2005-01-01

    We show that quantum systems of extended objects naturally give rise to a large class of exotic phases--namely topological phases. These phases occur when extended objects, called ''string-nets,'' become highly fluctuating and condense. We construct a large class of exactly soluble 2D spin Hamiltonians whose ground states are string-net condensed. Each ground state corresponds to a different parity invariant topological phase. The models reveal the mathematical framework underlying topological phases: tensor category theory. One of the Hamiltonians--a spin-1/2 system on the honeycomb lattice--is a simple theoretical realization of a universal fault tolerant quantum computer. The higher dimensional case also yields an interesting result: we find that 3D string-net condensation naturally gives rise to both emergent gauge bosons and emergent fermions. Thus, string-net condensation provides a mechanism for unifying gauge bosons and fermions in 3 and higher dimensions

  20. Quark-antiquark condensates in the hadronic phase

    International Nuclear Information System (INIS)

    Tawfik, A.; Toublan, D.

    2005-01-01

    We use a hadron resonance gas model to calculate the quark-antiquark condensates for light (up and down) and strange quark flavors at finite temperatures and chemical potentials. At zero chemical potentials, we find that at the temperature where the light quark-antiquark condensates entirely vanish the strange quark-antiquark condensate still keeps a relatively large fraction of its value in the vacuum. This is in agreement with results obtained in lattice simulations and in chiral perturbation theory at finite temperature and zero chemical potentials. Furthermore, we find that this effect slowly disappears at larger baryon chemical potential. These results might have significant consequences for our understanding of QCD at finite temperatures and chemical potentials. Concretely, our results imply that there might be a domain of temperatures where chiral symmetry is restored for light quarks, but still broken for strange quark that persists at small chemical potentials. This might have practical consequences for heavy ion collision experiments

  1. Thermodynamics of the production of condensed phases in the chemical vapor deposition of ZrC in the ZrCl{sub 4}–CH{sub 4}–H{sub 2}–Ar system

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Haiping [Science and Technology on Thermostructure Composite Materials Laboratory, Northwestern Polytechnical University, Xi' an, Shaanxi 710072 (China); Deng, Juanli, E-mail: dengjl@chd.edu.cn [School of Materials Science and Engineering, Chang' an University, Xi' an, Shaanxi 710064 (China); Yang, Lianli [College of Chemistry and Chemical Engineering, Xianyang Teachers College, Xianyang, Shaanxi 712000 (China); Cheng, Laifei; Luo, Lei; Zhu, Yan [Science and Technology on Thermostructure Composite Materials Laboratory, Northwestern Polytechnical University, Xi' an, Shaanxi 710072 (China); Su, Kehe [Key Laboratory of Space Applied Physics and Chemistry, Ministry of Education, School of Natural and Applied Sciences, Northwestern Polytechnical University, Xi' an, Shaanxi 710072 (China); Zhang, Litong [Science and Technology on Thermostructure Composite Materials Laboratory, Northwestern Polytechnical University, Xi' an, Shaanxi 710072 (China)

    2014-05-02

    Production conditions of ZrC, Zr and C(graphite) condensed phases in the chemical vapor deposition process with ZrCl{sub 4}–CH{sub 4}–H{sub 2}–Ar precursor system have been investigated based on thermodynamic analyses using the FactSage code. The yields of condensed phases have been examined as functions of the injected reactant ratios of ZrCl{sub 4}/(ZrCl{sub 4} + CH{sub 4}), H{sub 2}/(ZrCl{sub 4} + CH{sub 4}) and Ar/(ZrCl{sub 4} + CH{sub 4}), the temperature and the pressure. The results show that the yields strongly depend on the molar ratios of the ZrCl{sub 4}/(ZrCl{sub 4} + CH{sub 4}) and H{sub 2}/(ZrCl{sub 4} + CH{sub 4}) injected reactant and on the temperature, but are insensitive to the inert gas Ar ratio and pressure. The co-deposition of ZrC with Zr or C(graphite) can be easily controlled by changing the ratios of ZrCl{sub 4}/CH{sub 4} and H{sub 2}/(ZrCl{sub 4} + CH{sub 4}). Process conditions such as high input amount of H{sub 2}, relatively low amount of Ar, low pressure and temperature above 1300 K are favorable for the deposition of ZrC. The results of this work will be helpful for further experimental investigation on different deposition conditions. - Highlights: • Control of the composition of deposits via adjustment of precursor ratios • Carbon enrichment can be avoided using a low amount of argon diluting gas. • The deposition process is significantly influenced by the presence of hydrogen.

  2. The phase transition to an inhomogeneous condensate state

    International Nuclear Information System (INIS)

    Voskresensky, D.N.

    1984-01-01

    The Lagrangian (free energy) of the model with a complex scalar order parameter in which the phase transition to an inhomogeneous condensate state exists is constructed in the coordinate representation. In the case of condensation of charged particles (for example paired electrons) interaction with the electromagnetic field is included. The excitation spectrum in the presence of the condensate is found. The oscillations are strongly anisotropic. It is shown that superfluidity is absent for an uncharged system but that the charged one has the property of superconductivity. The important role of thermal fluctuations is demonstrated. They drastically change the behaviour of the condensate system. The condensation in a finite system is considered. A study is carried out for the behaviour of an inhomogeneous condensate in magnetic field. It is shown that the inhomogeneous condensate is a type II superconductor with Ginzburg-Landau parameter kappa >> 1, but that the structure of the mixed state of the system is unusual - consisting of plane layers of the normal phase, when Hsub(c1)< H< H'sub(c2). The distribution of condensate in the strong magnetic field H'sub(c2)< H< Hsub(c2) is also studied. (Auth.)

  3. Characterization of condensed phase nitric acid particles formed in the gas phase

    Institute of Scientific and Technical Information of China (English)

    Long Jia; Yongfu Xu

    2011-01-01

    The formation of nitric acid hydrates has been observed in a chamber during the dark reaction of NO2 with O3 in the presence of air.The size of condensed phase nitric acid was measured to be 40-100 nm and 20-65 nm at relative humidity (RH) ≤ 5% and RH = 67% under our experimental conditions, respectively.The nitric acid particles were collected on the glass fiber membrane and their chemical compositions were analyzed by infrared spectrum.The main components of nitric acid hydrates in particles are HNO3·3H2O and NO3-·xH2O (x≥ 4) at low RH, whereas at high RH HNO3·H2O, HNO3·2H2O, HNO3·3H2O and NO3-·xH2O (x≥ 4) all exist in the condensed phase.At high RH HNO3·xH2O (x ≤ 3) collected on the glass fiber membrane is greatly increased, while NO3-·xH2O (x ≥4) decreased, compared with low RH.To the best of our knowledge, this is the first time to report that condensed phase nitric acid can be generated in the gas phase at room temperature.

  4. Fermion condensation quantum phase transition versus conventional quantum phase transitions

    International Nuclear Information System (INIS)

    Shaginyan, V.R.; Han, J.G.; Lee, J.

    2004-01-01

    The main features of fermion condensation quantum phase transition (FCQPT), which are distinctive in several aspects from that of conventional quantum phase transition (CQPT), are considered. We show that in contrast to CQPT, whose physics in quantum critical region is dominated by thermal and quantum fluctuations and characterized by the absence of quasiparticles, the physics of a Fermi system near FCQPT or undergone FCQPT is controlled by the system of quasiparticles resembling the Landau quasiparticles. Contrary to the Landau quasiparticles, the effective mass of these quasiparticles strongly depends on the temperature, magnetic fields, density, etc. This system of quasiparticles having general properties determines the universal behavior of the Fermi system in question. As a result, the universal behavior persists up to relatively high temperatures comparatively to the case when such a behavior is determined by CQPT. We analyze striking recent measurements of specific heat, charge and heat transport used to study the nature of magnetic field-induced QCP in heavy-fermion metal CeCoIn 5 and show that the observed facts are in good agreement with our scenario based on FCQPT and certainly seem to rule out the critical fluctuations related with CQPT. Our general consideration suggests that FCQPT and the emergence of novel quasiparticles near and behind FCQPT and resembling the Landau quasiparticles are distinctive features intrinsic to strongly correlated substances

  5. 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

  6. 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...

  7. A Local Condensation Analysis Representing Two-phase Annular Flow in Condenser/radiator Capillary Tubes

    Science.gov (United States)

    Karimi, Amir

    1991-01-01

    NASA's effort for the thermal environmental control of the Space Station Freedom is directed towards the design, analysis, and development of an Active Thermal Control System (ATCS). A two phase, flow through condenser/radiator concept was baselined, as a part of the ATCS, for the radiation of space station thermal load into space. The proposed condenser rejects heat through direct condensation of ATCS working fluid (ammonia) in the small diameter radiator tubes. Analysis of the condensation process and design of condenser tubes are based on the available two phase flow models for the prediction of flow regimes, heat transfer, and pressure drops. The prediction formulas use the existing empirical relationships of friction factor at gas-liquid interface. An attempt is made to study the stability of interfacial waves in two phase annular flow. The formulation is presented of a stability problem in cylindrical coordinates. The contribution of fluid viscosity, surface tension, and transverse radius of curvature to the interfacial surface is included. A solution is obtained for Kelvin-Helmholtz instability problem which can be used to determine the critical and most dangerous wavelengths for interfacial waves.

  8. 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.

  9. 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

  10. Opportunities for sub-laser-cycle spectroscopy in condensed phase

    International Nuclear Information System (INIS)

    Ivanov, Misha; Smirnova, Olga

    2013-01-01

    Highlights: ► We discuss how sub-cycle attosecond spectroscopy can be extended from gas to condensed phase. ► We show that attosecond streaking measurements can be applied to bound electrons. ► We discuss time-resolving the formation of band structure in laser fields. - Abstract: To a large extent, progress of attosecond spectroscopy in the gas phase has been driven by designing approaches where time-resolution is not limited by the pulse duration. Instead, the time resolution comes from exploiting the sensitivity of electronic response to the oscillations of the electric field in the laser pulse and attosecond control over these oscillations. This paper discusses perspectives and opportunities for transporting the ideas of sub-cycle spectroscopy from gas to condensed phase

  11. Chemical reactions in organic monomolecular layers. Condensation of hydrazine on carbonyl functions

    International Nuclear Information System (INIS)

    Rosilio, Charles; Ruaudel-Teixier, Annie.

    1976-01-01

    Evidence is given for chemical reactions of hydrazine (NH 2 -NH 2 ) with different carbonyl functional groups of organic molecules in the solid state, in monomolecular layer structures. The condensation of hydrazine with these molecules leads to conjugated systems by bridging the N-N links, to cyclizations, and also to polycondensations. The reactions investigated were followed up by infrared spectrophotometry, by transmission and metallic reflection. These chemical reactions revealed in the solid phase constitute a polycondensation procedure which is valuable in obtaining organized polymers in monomolecular layers [fr

  12. Phase equilibria in chemical reactive fluid mixtures

    International Nuclear Information System (INIS)

    Maurer, Gerd

    2011-01-01

    Downstream processing is a major part of nearly all processes in the chemical industries. Most separation processes in the chemical (and related) industries for fluid mixtures are based on phase equilibrium phenomena. The majority of separation processes can be modelled assuming that chemical reactions are of no (or very minor) importance, i.e., assuming that the overall speciation remains unchanged during a separation process. However, there are also a large number of industrially important processes where the thermodynamic properties are influenced by chemical reactions. The phase equilibrium of chemical reactive mixtures has been a major research area of the author's group over nearly 40 years. In this contribution, three examples from that research are discussed. The first example deals with the vapour phase dimerisation of carboxylic acids and its consequences on phase equilibrium phenomena and phase equilibrium predictions. The second example deals with the solubility of sour gases (e.g., carbon dioxide and sulfur dioxide) in aqueous solutions of ammonia. That topic has been of interest for many years, e.g., in relation with the gasification and liquefaction of coal and, more recently, with the removal of carbon dioxide from flue gas in the 'chilled ammonia process'. The third example deals with phase equilibrium phenomena in aqueous solutions of polyelectrolytes. It deals with the phenomenon of 'counter ion condensation' and methods to model the Gibbs free energy of such solutions.

  13. Phase diagram of the Dirac spectrum at nonzero chemical potential

    International Nuclear Information System (INIS)

    Osborn, J. C.; Splittorff, K.; Verbaarschot, J. J. M.

    2008-01-01

    The Dirac spectrum of QCD with dynamical fermions at nonzero chemical potential is characterized by three regions: a region with a constant eigenvalue density, a region where the eigenvalue density shows oscillations that grow exponentially with the volume and the remainder of the complex plane where the eigenvalue density is zero. In this paper we derive the phase diagram of the Dirac spectrum from a chiral Lagrangian. We show that the constant eigenvalue density corresponds to a pion condensed phase while the strongly oscillating region is given by a kaon condensed phase. The normal phase with nonzero chiral condensate but vanishing Bose condensates coincides with the region of the complex plane where there are no eigenvalues.

  14. Bose-Einstein condensation and chiral phase transition in linear sigma model

    International Nuclear Information System (INIS)

    Shu Song; Li Jiarong

    2005-01-01

    With the linear sigma model, we have studied Bose-Einstein condensation and the chiral phase transition in the chiral limit for an interacting pion system. A μ-T phase diagram including these two phenomena is presented. It is found that the phase plane has been divided into three areas: the Bose-Einstein condensation area, the chiral symmetry broken phase area and the chiral symmetry restored phase area. Bose-Einstein condensation can occur either from the chiral symmetry broken phase or from the restored phase. We show that the onset of the chiral phase transition is restricted in the area where there is no Bose-Einstein condensation

  15. Phases and phase transition in insoluble and adsorbed monolayers of amide amphiphiles: Specific characteristics of the condensed phases.

    Science.gov (United States)

    Vollhardt, D

    2015-08-01

    For understanding the role of amide containing amphiphiles in inherently complex biological processes, monolayers at the air-water interface are used as simple biomimetic model systems. The specific characteristics of the condensed phases and phase transition in insoluble and adsorbed monolayers of amide amphiphiles are surveyed to highlight the effect of the chemical structure of the amide amphiphiles on the interfacial interactions in model monolayers. The mesoscopic topography and/or two-dimensional lattice structures of selected amino acid amphiphiles, amphiphilic N-alkylaldonamide, amide amphiphiles with specific tailored headgroups, such as amide amphiphiles based on derivatized ethanolamine, e.g. acylethanolamines (NAEs) and N-,O-diacylethanolamines (DAEs) are presented. Special attention is devoted the dominance of N,O-diacylated ethanolamine in mixed amphiphilic acid amide monolayers. The evidence that a first order phase transition can occur in adsorption layers and that condensed phase domains of mesoscopic scale can be formed in adsorption layers was first obtained on the basis of the experimental characteristics of a tailored amide amphiphile. New thermodynamic and kinetic concepts for the theoretical description of the characteristics of amide amphiphile's monolayers were developed. In particular, the equation of state for Langmuir monolayers generalized for the case that one, two or more phase transitions occur, and the new theory for phase transition in adsorbed monolayers are experimentally confirmed at first by amide amphiphile monolayers. Despite the significant progress made towards the understanding the model systems, these model studies are still limited to transfer the gained knowledge to biological systems where the fundamental physical principles are operative in the same way. The study of biomimetic systems, as described in this review, is only a first step in this direction. Copyright © 2014 Elsevier B.V. All rights reserved.

  16. 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...

  17. 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

  18. 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

  19. Phase-driven collapse of the Cooper condensate in a nanosized superconductor

    Science.gov (United States)

    Ronzani, Alberto; D'Ambrosio, Sophie; Virtanen, Pauli; Giazotto, Francesco; Altimiras, Carles

    2017-12-01

    Superconductivity can be understood in terms of a phase transition from an uncorrelated electron gas to a condensate of Cooper pairs in which the relative phases of the constituent electrons are coherent over macroscopic length scales. The degree of correlation is quantified by a complex-valued order parameter, whose amplitude is proportional to the strength of the pairing potential in the condensate. Supercurrent-carrying states are associated with nonzero values of the spatial gradient of the phase. The pairing potential and several physical observables of the Cooper condensate can be manipulated by means of temperature, current bias, dishomogeneities in the chemical composition, or application of a magnetic field. Here we show evidence of complete suppression of the energy gap in the local density of quasiparticle states (DOS) of a superconducting nanowire upon establishing a phase difference equal to π over a length scale comparable to the superconducting coherence length. These observations are consistent with a complete collapse of the pairing potential in the center of the wire, in accordance with theoretical modeling based on the quasiclassical theory of superconductivity in diffusive systems. Our spectroscopic data, fully exploring the phase-biased states of the condensate, highlight the profound effect that extreme phase gradients exert on the amplitude of the pairing potential. Moreover, the sharp magnetic response (up to 27 mV/Φ0) observed near the onset of the superconducting gap collapse regime is exploited to realize magnetic flux detectors with noise-equivalent resolution as low as 260 n Φ0/√{Hz} .

  20. Reactive simulation of the chemistry behind the condensed-phase ignition of RDX from hot spots.

    Science.gov (United States)

    Joshi, Kaushik L; Chaudhuri, Santanu

    2015-07-28

    Chemical events that lead to thermal initiation and spontaneous ignition of the high-pressure phase of RDX are presented using reactive molecular dynamics simulations. In order to initiate the chemistry behind thermal ignition, approximately 5% of RDX crystal is subjected to a constant temperature thermal pulse for various time durations to create a hot spot. After application of the thermal pulse, the ensuing chemical evolution of the system is monitored using reactive molecular dynamics under adiabatic conditions. Thermal pulses lasting longer than certain time durations lead to the spontaneous ignition of RDX after an incubation period. For cases where the ignition is observed, the incubation period is dominated by intermolecular and intramolecular hydrogen transfer reactions. Contrary to the widely accepted unimolecular models of initiation chemistry, N-N bond dissociations that produce NO2 species are suppressed in the condensed phase. The gradual temperature and pressure increase in the incubation period is accompanied by the accumulation of short-lived, heavier polyradicals. The polyradicals contain intact triazine rings from the RDX molecules. At certain temperatures and pressures, the polyradicals undergo ring-opening reactions, which fuel a series of rapid exothermic chemical reactions leading to a thermal runaway regime with stable gas-products such as N2, H2O and CO2. The evolution of the RDX crystal throughout the thermal initiation, incubation and thermal runaway phases observed in the reactive simulations contains a rich diversity of condensed-phase chemistry of nitramines under high-temperature/pressure conditions.

  1. Flows of a Vapor due to Phase Change Processes at the Condensed Phases with Temperature Fields as their Internal Structures

    National Research Council Canada - National Science Library

    Onishi, Yoshimoto; Ooshida, Takeshi

    2005-01-01

    Transient to steady motions of a vapor caused by the evaporation and condensation processes occurring at the condensed phases placed in parallel have been studied based on the Boltzmann equation of BGK type...

  2. Angular distribution and atomic effects in condensed phase photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Davis, R.F.

    1981-11-01

    A general concept of condensed phase photoelectron spectroscopy is that angular distribution and atomic effects in the photoemission intensity are determined by different mechanisms, the former being determined largely by ordering phenomena such as crystal momentum conservation and photoelectron diffraction while the latter are manifested in the total (angle-integrated) cross section. In this work, the physics of the photoemission process is investigated in several very different experiments to elucidate the mechanisms of, and correlation between, atomic and angular distribution effects. Theoretical models are discussed and the connection betweeen the two effects is clearly established. The remainder of this thesis, which describes experiments utilizing both angle-resolved and angle-integrated photoemission in conjunction with synchrotron radiation in the energy range 6 eV less than or equal to h ν less than or equal to 360 eV and laboratory sources, is divided into three parts

  3. Chemical characterization of condensates from the Shatlyk deposit

    Energy Technology Data Exchange (ETDEWEB)

    Khankuliev, K.; Makarov, V.V.; Talalaev, E.I.

    1980-01-01

    Condensates from the deposits of Eastern and Western Shatlyk differ little in terms of fractional and group hydrocarbon composition. They are all comparatively light, boil away by 350/sup 0/, while the benzene part (60-200/sup 0/) amounts to 43-44% and the kerosene part (200-300/sup 0/), 39-42%. The basic part of the cyclic hydrocarbons (naphthene and aromatic) is concentrated in the light condensate fractions, which boil away by 150/sup 0/. The total content of the aromatic hydrocarbons in the condensates is at most 10%. The 150-200/sup 0/ fractions is 85% paraffin hydrocarbons, while ramified and nonramified structures of paraffin hydrocarbons are found in equal quantities.

  4. Data Descriptor : Collocated observations of cloud condensation nuclei, particle size distributions, and chemical composition

    NARCIS (Netherlands)

    Schmale, Julia; Henning, Silvia; Henzing, Bas; Keskinen, Helmi; Sellegri, Karine; Ovadnevaite, Jurgita; Bougiatioti, Aikaterini; Kalivitis, Nikos; Stavroulas, Iasonas; Jefferson, Anne; Park, Minsu; Schlag, Patrick; Kristensson, Adam; Iwamoto, Yoko; Pringle, Kirsty; Reddington, Carly; Aalto, Pasi; Äijälä, Mikko; Baltensperger, Urs; Bialek, Jakub; Birmili, Wolfram; Bukowiecki, Nicolas; Ehn, Mikael; Fjæraa, Ann Mari; Fiebig, Markus; Frank, Göran; Fröhlich, Roman; Frumau, Arnoud; Furuya, Masaki; Hammer, Emanuel; Heikkinen, Liine; Herrmann, Erik; Holzinger, Rupert; Hyono, Hiroyuki; Kanakidou, Maria; Kiendler-Scharr, Astrid; Kinouchi, Kento; Kos, Gerard P A; Kulmala, Markku; Mihalopoulos, Nikolaos; Motos, Ghislain; Nenes, Athanasios; O'Dowd, Colin; Paramonov, Mikhail; Petäjä, Tuukka; Picard, David; Poulain, Laurent; Prévôt, André Stephan Henry; Slowik, Jay; Sonntag, Andre; Swietlicki, Erik; Svenningsson, Birgitta; Tsurumaru, Hiroshi; Wiedensohler, Alfred; Wittbom, Cerina; Ogren, John A.; Matsuki, Atsushi; Yum, Seong Soo; Myhre, Cathrine Lund; Carslaw, Ken; Stratmann, Frank; Gysel, Martin

    2017-01-01

    Cloud condensation nuclei (CCN) number concentrations alongside with submicrometer particle number size distributions and particle chemical composition have been measured at atmospheric observatories of the Aerosols, Clouds, and Trace gases Research InfraStructure (ACTRIS) as well as other

  5. Phase transitions of W condensation for the universe with finite fermion density

    International Nuclear Information System (INIS)

    Kalashnikov, O.K.; Perez Rojas, H.; Institute of Cybernetics, Mathematics and Physics, Cuban Academy of Sciences, Havana, Cuba)

    1989-01-01

    The phase diagrams of W condensation are established in the electroweak theory with a finite fermion density under conditions of neutral and electric charge conservation. We found for the universe with a zero neutral charge density that the W condensate occurs at any small fermion density ρ. This appears at first near the point of symmetry restoration. This condensate exists only in the finite-temperature region and evaporates completely or partially, when the temperature goes to zero

  6. Proton mixing in -condensed phase of neutron star matter

    Energy Technology Data Exchange (ETDEWEB)

    Takatsuka, Tatsuyuki

    1984-08-01

    The mixing of protons in neutron star matter under the occurrence of condensation is studied in the framework of the ALS (Alternating Layer Spin) model and with the effective interaction approach. It is found that protons are likely to mix under the situation and cause a remarkable energy gain from neutron matter as the density increases. The extent of proton mixing becomes larger by about a factor (1.5-2.5) according to the density rho asymptotically equals (2-5)rho0, rho0 being the nuclear density, as compared with that for the case without pion condensation. The reason can be attributed to the two-dimensional nature of the Fermi gas state characteristic of the nucleon system under condensation.

  7. 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)

  8. 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

  9. Condensation phenomena in two-flavor scalar QED at finite chemical potential

    CERN Document Server

    Schmidt, Alexander; Gattringer, Christof

    2014-01-01

    We study condensation in two-flavored, scalar QED with non-degenerate masses at finite chemical potential. The conventional formulation of the theory has a sign problem at finite density which can be solved using an exact reformulation of the theory in terms of dual variables. We perform a Monte Carlo simulation in the dual representation and observe a condensation at a critical chemical potential $\\mu_c$. After determining the low-energy spectrum of the theory we try to establish a connection between $\\mu_c$ and the mass of the lightest excitation of the system, which are naively expected to be equal. It turns out, however, that the relation of the critical chemical potential to the mass spectrum in this case is non-trivial: Taking into account the form of the condensate and making some simplifying assumptions we suggest an adequate explanation which is supported by numerical results.

  10. Condensation and dissociation rates for gas phase metal clusters from molecular dynamics trajectory calculations

    Science.gov (United States)

    Yang, Huan; Goudeli, Eirini; Hogan, Christopher J.

    2018-04-01

    In gas phase synthesis systems, clusters form and grow via condensation, in which a monomer binds to an existing cluster. While a hard-sphere equation is frequently used to predict the condensation rate coefficient, this equation neglects the influences of potential interactions and cluster internal energy on the condensation process. Here, we present a collision rate theory-molecular dynamics simulation approach to calculate condensation probabilities and condensation rate coefficients. We use this approach to examine atomic condensation onto 6-56-atom Au and Mg clusters. The probability of condensation depends upon the initial relative velocity (v) between atom and cluster and the initial impact parameter (b). In all cases, there is a well-defined region of b-v space where condensation is highly probable, and outside of which the condensation probability drops to zero. For Au clusters with more than 10 atoms, we find that at gas temperatures in the 300-1200 K range, the condensation rate coefficient exceeds the hard-sphere rate coefficient by a factor of 1.5-2.0. Conversely, for Au clusters with 10 or fewer atoms and for 14- and 28-atom Mg clusters, as cluster equilibration temperature increases, the condensation rate coefficient drops to values below the hard-sphere rate coefficient. Calculations also yield the self-dissociation rate coefficient, which is found to vary considerably with gas temperature. Finally, calculations results reveal that grazing (high b) atom-cluster collisions at elevated velocity (>1000 m s-1) can result in the colliding atom rebounding (bounce) from the cluster surface or binding while another atom dissociates (replacement). The presented method can be applied in developing rate equations to predict material formation and growth rates in vapor phase systems.

  11. Numerical simulation of condensation phase change flow in an inclined tube with bend

    Energy Technology Data Exchange (ETDEWEB)

    Jo, Jong Chull; Shin, Byung Soo; Do, Kyu Sik [Korea Institute of Nuclear Safety, Daejeon (Korea, Republic of); Lee, Yong Kap [Anflux Co., Seoul (Korea, Republic of)

    2012-10-15

    The new PWR design named APR+ incorporates a passive auxiliary feedwater system (PAFS) as shown in Fig.1. The PAFS consists of two separate divisions. Each division is equipped with one passive condensation heat exchanger (PCHX), isolation or drain or vent valves, check valves, instrumentation and control, and pipes. It is aligned to feed condensed water to its corresponding steam generator (SG). During the PAFS normal operation, steam being produced in the SG secondary side by the residual heat moves up due to buoyancy force and then flows into the PCHX where steam is condensed on the inner surface of the tubes of which the outer surfaces are cooled by the water stored in the passive condensation cooling tank (PCCT). The condensate is passively fed into the SG economizer by gravity. Because the thermal hydraulic characteristics in the PCHT determine the condensation mass rate and the possibility of system instability and water hammer, it is important to understand the condensation phase change flow in the PCHT. This paper presents a numerical simulation of the condensation phase change flow in the PCHX adopted for the APR+ PAFS.

  12. Phase Diagram for Magnon Condensate in Yttrium Iron Garnet Film

    Science.gov (United States)

    Li, Fuxiang; Saslow, Wayne M.; Pokrovsky, Valery L.

    2013-01-01

    Recently, magnons, which are quasiparticles describing the collective motion of spins, were found to undergo Bose-Einstein condensation (BEC) at room temperature in films of Yttrium Iron Garnet (YIG). Unlike other quasiparticle BEC systems, this system has a spectrum with two degenerate minima, which makes it possible for the system to have two condensates in momentum space. Recent Brillouin Light Scattering studies for a microwave-pumped YIG film of thickness d = 5 μm and field H = 1 kOe find a low-contrast interference pattern at the characteristic wavevector Q of the magnon energy minimum. In this report, we show that this modulation pattern can be quantitatively explained as due to unequal but coherent Bose-Einstein condensation of magnons into the two energy minima. Our theory predicts a transition from a high-contrast symmetric state to a low-contrast non-symmetric state on varying the d and H, and a new type of collective oscillation. PMID:23455849

  13. QCD phase transition at real chemical potential with canonical approach

    Energy Technology Data Exchange (ETDEWEB)

    Nakamura, Atsushi [RCNP, Osaka University,Osaka, 567-0047 (Japan); Nishina Center, RIKEN,Wako, Saitama 351-0198 (Japan); School of Biomedicine, Far Eastern Federal University,Vladivostok, 690950 (Russian Federation); Oka, Shotaro [Institute of Theoretical Physics, Department of Physics, Rikkyo University,Toshima-ku, Tokyo 171-8501 (Japan); Taniguchi, Yusuke [Graduate School of Pure and Applied Sciences, University of Tsukuba,Tsukuba, Ibaraki 305-8571 (Japan)

    2016-02-08

    We study the finite density phase transition in the lattice QCD at real chemical potential. We adopt a canonical approach and the canonical partition function is constructed for N{sub f}=2 QCD. After derivation of the canonical partition function we calculate observables like the pressure, the quark number density, its second cumulant and the chiral condensate as a function of the real chemical potential. We covered a wide range of temperature region starting from the confining low to the deconfining high temperature; 0.65T{sub c}≤T≤3.62T{sub c}. We observe a possible signal of the deconfinement and the chiral restoration phase transition at real chemical potential below T{sub c} starting from the confining phase. We give also the convergence range of the fugacity expansion.

  14. Chemical equilibrium of ablation materials including condensed species

    Science.gov (United States)

    Stroud, C. W.; Brinkley, K. L.

    1975-01-01

    Equilibrium is determined by finding chemical composition with minimum free energy. Method of steepest descent is applied to quadratic representation of free-energy surface. Solution is initiated by selecting arbitrary set of mole fractions, from which point on free-energy surface is computed.

  15. Synthesis of Tungsten Diselenide Nanoparticles by Chemical Vapor Condensation Method

    Directory of Open Access Journals (Sweden)

    Oleg V. Tolochko

    2015-09-01

    Full Text Available Crystalline tungsten diselenide (WSe2 nanoparticles have been synthesized by a gas phase reaction using tungsten hexacarbonyl and elemental selenium as precursors. The WSe2 nanoparticle morphology varies from the spherical shape to flake-like layered structures. Mean size in smaller dimension are less than 5 nm and the number of layers decreased linearly with decreasing of reaction time and concentration of carbonyl in the gas phase. The mean value of interlayer distance in <0001> direction is comparable with the microscopic values. The selenium-to-tungsten atomic ratios of 2.07, 2.19 and 2.19 were determined respectively, approach to the stoichiometric ratio of 2:1. Main impurities are oxygen and carbon and strongly interrelated with carbonyl concentration in the gas phase.DOI: http://dx.doi.org/10.5755/j01.ms.21.3.7356

  16. Phase transition in dense nuclear matter with quark and gluon condensates

    International Nuclear Information System (INIS)

    Ellis, J.; Kapusta, J.I.; Olive, K.A.

    1991-01-01

    Nuclear matter is expected to modify the expectation values of the quark and gluon condensates. We utilize the chiral and scale symmetries of QCD to describe the interaction between these condensates and hadrons. We solve the resulting equations self-consistently in the relativistic mean field approximation. In order that these QCD condensates be driven towards zero at high density their coupling to sigma and vector mesons must be such that the masses of these mesons do not decrease with density. In this case a physically sensible phase transition to quark matter ensures. (orig.)

  17. 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.

  18. Molecular equilibrium with condensation

    International Nuclear Information System (INIS)

    Sharp, C.M.; Huebner, W.F.

    1990-01-01

    Minimization of the Gibbs energy of formation for species of chemical elements and compounds in their gas and condensed phases determines their relative abundances in a mixture in chemical equilibrium. The procedure is more general and more powerful than previous abundance determinations in multiphase astrophysical mixtures. Some results for astrophysical equations of state are presented, and the effects of condensation on opacity are briefly indicated. 18 refs

  19. Interfacial Charge Transfer States in Condensed Phase Systems

    Science.gov (United States)

    Vandewal, Koen

    2016-05-01

    Intermolecular charge transfer (CT) states at the interface between electron-donating (D) and electron-accepting (A) materials in organic thin films are characterized by absorption and emission bands within the optical gap of the interfacing materials. CT states efficiently generate charge carriers for some D-A combinations, and others show high fluorescence quantum efficiencies. These properties are exploited in organic solar cells, photodetectors, and light-emitting diodes. This review summarizes experimental and theoretical work on the electronic structure and interfacial energy landscape at condensed matter D-A interfaces. Recent findings on photogeneration and recombination of free charge carriers via CT states are discussed, and relations between CT state properties and optoelectronic device parameters are clarified.

  20. 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.

  1. 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.

  2. Anomalous interfacial tension temperature dependence of condensed phase drops in magnetic fluids

    Science.gov (United States)

    Ivanov, Aleksey S.

    2018-05-01

    Interfacial tension temperature dependence σ(T) of the condensed phase (drop-like aggregates) in magnetic fluids undergoing field induced phase transition of the "gas-liquid" type was studied experimentally. Numerical analysis of the experimental data has revealed the anomalous (if compared to ordinary one-component fluids) behavior of the σ(T) function for all tested magnetic colloid samples: the condensed phase drops at high T ≈ 75 C exhibit higher σ(T) than the drops condensed at low T ≈ 20 C. The σ(T) behavior is explained by the polydispersity of magnetic colloids: at high T, only the largest colloidal particles are able to take part in the field induced condensation; thus, the increase of T causes the growth of the average particle diameters inside the drop-like aggregates, what in its turn results in the growth of σ(T). The result is confirmed by qualitative theoretical estimations and qualitative experimental observation of the condensed phase "evaporation" process after the applied magnetic field is removed: the drops that are formed due to capillary instability of the drop-like aggregates retract by one order of magnitude faster at high T, and the evaporation of the drops slows down at high T.

  3. Chiral condensate at nonzero chemical potential in the microscopic limit of QCD

    International Nuclear Information System (INIS)

    Osborn, J. C.; Splittorff, K.; Verbaarschot, J. J. M.

    2008-01-01

    The chiral condensate in QCD at zero temperature does not depend on the quark chemical potential (up to one-third the nucleon mass), whereas the spectral density of the Dirac operator shows a strong dependence on the chemical potential. The cancellations which make this possible also occur on the microscopic scale, where they can be investigated by means of a random matrix model. We show that they can be understood in terms of orthogonality properties of orthogonal polynomials. In the strong non-Hermiticity limit they are related to integrability properties of the spectral density. As a by-product we find exact analytical expressions for the partially quenched chiral condensate in the microscopic domain at nonzero chemical potential.

  4. Electronically excited and ionized states in condensed phase: Theory and applications

    Science.gov (United States)

    Sadybekov, Arman

    Predictive modeling of chemical processes in silico is a goal of XXI century. While robust and accurate methods exist for ground-state properties, reliable methods for excited states are still lacking and require further development. Electronically exited states are formed by interactions of matter with light and are responsible for key processes in solar energy harvesting, vision, artificial sensors, and photovoltaic applications. The greatest challenge to overcome on our way to a quantitative description of light-induced processes is accurate inclusion of the effect of the environment on excited states. All above mentioned processes occur in solution or solid state. Yet, there are few methodologies to study excited states in condensed phase. Application of highly accurate and robust methods, such as equation-of-motion coupled-cluster theory EOM-CC, is limited by a high computational cost and scaling precluding full quantum mechanical treatment of the entire system. In this thesis we present successful application of the EOM-CC family of methods to studies of excited states in liquid phase and build hierarchy of models for inclusion of the solvent effects. In the first part of the thesis we show that a simple gasphase model is sufficient to quantitatively analyze excited states in liquid benzene, while the latter part emphasizes the importance of explicit treatment of the solvent molecules in the case of glycine in water solution. In chapter 2, we use a simple dimer model to describe exciton formation in liquid and solid benzene. We show that sampling of dimer structures extracted from the liquid benzene is sufficient to correctly predict exited-state properties of the liquid. Our calculations explain experimentally observed features, which helped to understand the mechanism of the excimer formation in liquid benzene. Furthermore, we shed light on the difference between dimer configurations in the first solvation shell of liquid benzene and in unit cell of solid

  5. Generalized modeling of multi-component vaporization/condensation phenomena for multi-phase-flow analysis

    International Nuclear Information System (INIS)

    Morita, K.; Fukuda, K.; Tobita, Y.; Kondo, Sa.; Suzuki, T.; Maschek, W.

    2003-01-01

    A new multi-component vaporization/condensation (V/C) model was developed to provide a generalized model for safety analysis codes of liquid metal cooled reactors (LMRs). These codes simulate thermal-hydraulic phenomena of multi-phase, multi-component flows, which is essential to investigate core disruptive accidents of LMRs such as fast breeder reactors and accelerator driven systems. The developed model characterizes the V/C processes associated with phase transition by employing heat transfer and mass-diffusion limited models for analyses of relatively short-time-scale multi-phase, multi-component hydraulic problems, among which vaporization and condensation, or simultaneous heat and mass transfer, play an important role. The heat transfer limited model describes the non-equilibrium phase transition processes occurring at interfaces, while the mass-diffusion limited model is employed to represent effects of non-condensable gases and multi-component mixture on V/C processes. Verification of the model and method employed in the multi-component V/C model of a multi-phase flow code was performed successfully by analyzing a series of multi-bubble condensation experiments. The applicability of the model to the accident analysis of LMRs is also discussed by comparison between steam and metallic vapor systems. (orig.)

  6. Phase Transitions of the Polariton Condensate in 2D Dirac Materials.

    Science.gov (United States)

    Lee, Ki Hoon; Lee, Changhee; Min, Hongki; Chung, Suk Bum

    2018-04-13

    For the quantum well in an optical microcavity, the interplay of the Coulomb interaction and the electron-photon (e-ph) coupling can lead to the hybridizations of the exciton and the cavity photon known as polaritons, which can form the Bose-Einstein condensate above a threshold density. Additional physics due to the nontrivial Berry phase comes into play when the quantum well consists of the gapped two-dimensional Dirac material such as the transition metal dichalcogenide MoS_{2} or WSe_{2}. Specifically, in forming the polariton, the e-ph coupling from the optical selection rule due to the Berry phase can compete against the Coulomb electron-electron (e-e) interaction. We find that this competition gives rise to a rich phase diagram for the polariton condensate involving both topological and symmetry breaking phase transitions, with the former giving rise to the quantum anomalous Hall and the quantum spin Hall phases.

  7. Phase Transitions of the Polariton Condensate in 2D Dirac Materials

    Science.gov (United States)

    Lee, Ki Hoon; Lee, Changhee; Min, Hongki; Chung, Suk Bum

    2018-04-01

    For the quantum well in an optical microcavity, the interplay of the Coulomb interaction and the electron-photon (e -ph) coupling can lead to the hybridizations of the exciton and the cavity photon known as polaritons, which can form the Bose-Einstein condensate above a threshold density. Additional physics due to the nontrivial Berry phase comes into play when the quantum well consists of the gapped two-dimensional Dirac material such as the transition metal dichalcogenide MoS2 or WSe2 . Specifically, in forming the polariton, the e -ph coupling from the optical selection rule due to the Berry phase can compete against the Coulomb electron-electron (e -e ) interaction. We find that this competition gives rise to a rich phase diagram for the polariton condensate involving both topological and symmetry breaking phase transitions, with the former giving rise to the quantum anomalous Hall and the quantum spin Hall phases.

  8. Structures of the particles of the condensed dispersed phase in solid fuel combustion products plasma

    International Nuclear Information System (INIS)

    Samaryan, A.A.; Chernyshev, A.V.; Nefedov, A.P.; Petrov, O.F.; Fortov, V.E.; Mikhailov, Yu.M.; Mintsev, V.B.

    2000-01-01

    The results of experimental investigations of a type of dusty plasma which has been least studied--the plasma of solid fuel combustion products--were presented. Experiments to determine the parameters of the plasma of the combustion products of synthetic solid fuels with various compositions together with simultaneous diagnostics of the degree of ordering of the structures of the particles of the dispersed condensed phase were performed. The measurements showed that the charge composition of the plasma of the solid fuels combustion products depends strongly on the easily ionized alkali-metal impurities which are always present in synthetic fuel in one or another amount. An ordered arrangement of the particles of a condensed dispersed phase in structures that form in a boundary region between the high-temperature and condensation zones was observed for samples of aluminum-coated solid fuels with a low content of alkali-metal impurities

  9. Large scale electronic structure calculations in the study of the condensed phase

    NARCIS (Netherlands)

    van Dam, H.J.J.; Guest, M.F.; Sherwood, P.; Thomas, J.M.H.; van Lenthe, J.H.; van Lingen, J.N.J.; Bailey, C.L.; Bush, I.J.

    2006-01-01

    We consider the role that large-scale electronic structure computations can now play in the modelling of the condensed phase. To structure our analysis, we consider four distict ways in which today's scientific targets can be re-scoped to take advantage of advances in computing resources: 1. time to

  10. 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.

  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. 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

  13. 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

  14. 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

  15. Sub-shot-noise phase sensitivity with a Bose-Einstein condensate Mach-Zehnder interferometer

    International Nuclear Information System (INIS)

    Pezze, L.; Smerzi, A.; Collins, L.A.; Berman, G.P.; Bishop, A.R.

    2005-01-01

    Bose-Einstein condensates (BEC), with their coherence properties, have attracted wide interest for their possible application to ultraprecise interferometry and ultraweak force sensors. Since condensates, unlike photons, are interacting, they may permit the realization of specific quantum states needed as input of an interferometer to approach the Heisenberg limit, the supposed lower bound to precision phase measurements. To this end, we study the sensitivity to external weak perturbations of a representative matter-wave Mach-Zehnder interferometer whose input are two Bose-Einstein condensates created by splitting a single condensate in two parts. The interferometric phase sensitivity depends on the specific quantum state created with the two condensates, and, therefore, on the time scale of the splitting process. We identify three different regimes, characterized by a phase sensitivity Δθ scaling with the total number of condensate particles N as (i) the standard quantum limit Δθ∼1/N 1/2 (ii) the sub shot-noise Δθ∼1/N 3/4 , and the (iii) the Heisenberg limit Δθ∼1/N. However, in a realistic dynamical BEC splitting, the 1/N limit requires a long adiabaticity time scale, which is hardly reachable experimentally. On the other hand, the sub-shot-noise sensitivity Δθ∼1/N 3/4 can be reached in a realistic experimental setting. We also show that the 1/N 3/4 scaling is a rigorous upper bound in the limit N→∞, while keeping constant all different parameters of the bosonic Mach-Zehnder interferometer

  16. 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.

  17. 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

  18. 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_4H_9)_4NI_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 the

  19. Oscillatory solitons and time-resolved phase locking of two polariton condensates

    International Nuclear Information System (INIS)

    Christmann, Gabriel; Tosi, Guilherme; Baumberg, Jeremy J; Berloff, Natalia G; Tsotsis, Panagiotis; Eldridge, Peter S; Hatzopoulos, Zacharias; Savvidis, Pavlos G

    2014-01-01

    When pumped nonresonantly, semiconductor microcavity polaritons form Bose–Einstein condensates that can be manipulated optically. Using tightly-focused excitation spots, radially expanding condensates can be formed in close proximity. Using high time resolution streak camera measurements we study the time dependent properties of these macroscopic coherent states. By coupling this method with interferometry we observe directly the phase locking of two independent condensates in time, showing the effect of polariton–polariton interactions. We also directly observe fast spontaneous soliton-like oscillations of the polariton cloud trapped between the pump spots, which can be either dark or bright solitons. This transition from dark to bright is a consequence of the change of sign of the nonlinearity which we propose is due to the shape of the polariton dispersion leading to either positive or negative polariton effective mass. (paper)

  20. Statistical quantization of GUT models and phase diagrams of W condensation for the Universe with finite fermion density

    International Nuclear Information System (INIS)

    Kalashnikov, O.K.; Razumov, L.V.; Perez Rojas, H.

    1990-01-01

    The problems of statistical quantization for grand-unified-theory models are studied using as an example the Weinberg-Salam model with finite fermion density under the conditions of neutral and electric charge conservation. The relativistic R γ gauge with an arbitrary parameter is used and the one-loop effective potential together with its extremum equations are found. We demonstrate (and this is our main result) that the thermodynamic potential obtained from the effective one, after the mass shell for ξ is used, remains gauge dependent if all temperature ranges (not only the leading high-temperature terms) are considered. The contradiction detected within the calculational scheme is eliminated after the redefinition of the model studied is made with the aid of the terms which are proportional to the ''non-Abelian'' chemical potential and equal to zero identically when the unitary gauge is fixed. The phase diagrams of the W condensation are established and all their peculiarities are displayed. We found for the universe with a zero neutral charge density that the W condensate occurs at any small fermion density ρ and appears at first near the point of symmetry restoration. For all ρ≠0 this condensate exists only in the finite-temperature domain and evaporates completely or partially when T goes to zero

  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. Theoretical and computational studies of non-equilibrium and non-statistical dynamics in the gas phase, in the condensed phase and at interfaces.

    Science.gov (United States)

    Spezia, Riccardo; Martínez-Nuñez, Emilio; Vazquez, Saulo; Hase, William L

    2017-04-28

    In this Introduction, we show the basic problems of non-statistical and non-equilibrium phenomena related to the papers collected in this themed issue. Over the past few years, significant advances in both computing power and development of theories have allowed the study of larger systems, increasing the time length of simulations and improving the quality of potential energy surfaces. In particular, the possibility of using quantum chemistry to calculate energies and forces 'on the fly' has paved the way to directly study chemical reactions. This has provided a valuable tool to explore molecular mechanisms at given temperatures and energies and to see whether these reactive trajectories follow statistical laws and/or minimum energy pathways. This themed issue collects different aspects of the problem and gives an overview of recent works and developments in different contexts, from the gas phase to the condensed phase to excited states.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'. © 2017 The Author(s).

  3. A Facile, Choline Chloride/Urea Catalyzed Solid Phase Synthesis of Coumarins via Knoevenagel Condensation

    Directory of Open Access Journals (Sweden)

    Hosanagara N. Harishkumar

    2011-01-01

    Full Text Available The influence of choline chloride/urea ionic liquid in solid phase on the Knoevenagel condensation is demonstrated. The active methylene compounds such as meldrum’s acid, diethylmalonate, ethyl cyanoacetate, dimethylmalonate, were efficiently condensed with various salicylaldehydes in presence of choline chloride/urea ionic liquid without using any solvents or additional catalyst. The reaction is remarkably facile because of the air and water stability of the catalyst, and needs no special precautions. The reactions were completed within 1hr with excellent yields (95%. The products formed were sufficiently pure, and can be easily recovered. The use of ionic liquid choline chloride/urea in solid phase offered several significant advantages such as low cost, greater selectivity and easy isolation of products.

  4. Cross-Aldol condensation of isobutyraldehyde and formaldehyde using phase transfer catalyst

    Directory of Open Access Journals (Sweden)

    Azhar Hashmi

    2016-09-01

    Full Text Available The hydroxypivaldehyde (HPA precursor intermediate for the synthesis of neopentyl glycol (NPG is prepared by novel cross Aldol condensation of isobutyraldehyde and formaldehyde at 20 °C using benzyltrimethylammonium hydroxide, a basic phase transfer catalyst. A feed mole ratio of 1.1:1.0:0.04 (isobutyraldehyde:formaldehyde:benzyltrimethylammonium hydroxide afforded hydroxypivaldehyde as white solid in almost quantitative yield with ∼100% selectivity.

  5. Cross-Aldol condensation of isobutyraldehyde and formaldehyde using phase transfer catalyst

    OpenAIRE

    Azhar Hashmi

    2016-01-01

    The hydroxypivaldehyde (HPA) precursor intermediate for the synthesis of neopentyl glycol (NPG) is prepared by novel cross Aldol condensation of isobutyraldehyde and formaldehyde at 20 °C using benzyltrimethylammonium hydroxide, a basic phase transfer catalyst. A feed mole ratio of 1.1:1.0:0.04 (isobutyraldehyde:formaldehyde:benzyltrimethylammonium hydroxide) afforded hydroxypivaldehyde as white solid in almost quantitative yield with ∼100% selectivity.

  6. Phase-locking in quantum and classical oscillators: polariton condensates, lasers, and arrays of Josephson junctions

    OpenAIRE

    EASTHAM, PAUL

    2003-01-01

    PUBLISHED We connect three phenomena in which a coherent electromagnetic field could be generated: polariton condensation, phase-locking in arrays of underdamped Josephson junctions, and lasing. All these phenomena have been described using Dicke-type models of spins coupled to a single photon mode. These descriptions may be distinguished by whether the spins are quantum or classical, and whether they are strongly or weakly damped.

  7. 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.

  8. 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...

  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. Examination of transient characteristics of two-phase natural circulation within a Freon-113 boiling/condensation loop

    International Nuclear Information System (INIS)

    Tanimoto, K.; Ishii, M.

    1998-01-01

    Transient characteristics of two-phase natural circulation within a Freon-113 loop with a large condenser have been examined mainly focused on the flashing phenomenon. General behavior was described and parametric studies were performed. The items observed were the period and duration of flashing, peak flow rate, amount of flow carryover per flashing, lowest-peak liquid level within the condenser, and the peak void distribution in the riser section. The parameters considered were the heater power input, valve friction at the heater inlet (simulating the loopwise friction), condenser cooling, degree of subcooling at the heater inlet, and the heat loss to the surroundings. As a whole, the heater power input, valve friction, and the rate of condenser cooling played important roles in flashing while the other effects being marginal. In general, the flow appeared to be more unstable with the larger condensing surface which causes the condensation-induced flashing. (orig.)

  11. Transport-induced shifts in condensate dew-point and composition in multicomponent systems with chemical reaction

    Science.gov (United States)

    Rosner, D. E.; Nagarajan, R.

    1985-01-01

    Partial heterogeneous condensation phenomena in multicomponent reacting systems are analyzed taking into consideration the chemical element transport phenomena. It is demonstrated that the dew-point surface temperature in chemically reactive systems is not a purely thermodynamic quantity, but is influenced by the multicomponent diffusion and Soret-mass diffusion phenomena. Several distinct dew-points are shown to exist in such systems and, as a result of transport constraints, the 'sharp' locus between two chemically distinct condensates is systematically moved to a difference mainstream composition.

  12. Mining chemical reactions using neighborhood behavior and condensed graphs of reactions approaches.

    Science.gov (United States)

    de Luca, Aurélie; Horvath, Dragos; Marcou, Gilles; Solov'ev, Vitaly; Varnek, Alexandre

    2012-09-24

    This work addresses the problem of similarity search and classification of chemical reactions using Neighborhood Behavior (NB) and Condensed Graphs of Reaction (CGR) approaches. The CGR formalism represents chemical reactions as a classical molecular graph with dynamic bonds, enabling descriptor calculations on this graph. Different types of the ISIDA fragment descriptors generated for CGRs in combination with two metrics--Tanimoto and Euclidean--were considered as chemical spaces, to serve for reaction dissimilarity scoring. The NB method has been used to select an optimal combination of descriptors which distinguish different types of chemical reactions in a database containing 8544 reactions of 9 classes. Relevance of NB analysis has been validated in generic (multiclass) similarity search and in clustering with Self-Organizing Maps (SOM). NB-compliant sets of descriptors were shown to display enhanced mapping propensities, allowing the construction of better Self-Organizing Maps and similarity searches (NB and classical similarity search criteria--AUC ROC--correlate at a level of 0.7). The analysis of the SOM clusters proved chemically meaningful CGR substructures representing specific reaction signatures.

  13. 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

  14. Condensation in gas transmission pipelines. Phase behavior of mixtures of hydrogen with natural gas

    Energy Technology Data Exchange (ETDEWEB)

    Schouten, J.A.; Michels, J.P.J. [Amsterdam Univ. (Netherlands). Van der Waals-Zeeman Inst.; Rosmalen, R.J. van [Energy, Roden (Netherlands)

    2005-05-01

    Several pressure and temperature reductions occur along gas transmission lines. Since the pressure and temperature conditions of the natural gas in the pipeline are often close to the dew point curve, liquid dropout can occur. Injection of hydrogen into the natural gas will change the phase envelope and thus the liquid dropout. This condensation of the heavy hydrocarbons requires continuous operational attention and a positive effect of hydrogen may affect the decision to introduce hydrogen. In this paper we report on calculations of the amount of condensate in a natural gas and in this natural gas mixed with 16.7% hydrogen. These calculations have been performed at conditions prevailing in gas transport lines. The results will be used to discuss the difference in liquid dropout in a natural gas and in a mixture with hydrogen at pressure reduction stations, at crossings under waterways, at side-branching, and at separators in the pipelines. (author)

  15. Switching moving boundary models for two-phase flow evaporators and condensers

    Science.gov (United States)

    Bonilla, Javier; Dormido, Sebastián; Cellier, François E.

    2015-03-01

    The moving boundary method is an appealing approach for the design, testing and validation of advanced control schemes for evaporators and condensers. When it comes to advanced control strategies, not only accurate but fast dynamic models are required. Moving boundary models are fast low-order dynamic models, and they can describe the dynamic behavior with high accuracy. This paper presents a mathematical formulation based on physical principles for two-phase flow moving boundary evaporator and condenser models which support dynamic switching between all possible flow configurations. The models were implemented in a library using the equation-based object-oriented Modelica language. Several integrity tests in steady-state and transient predictions together with stability tests verified the models. Experimental data from a direct steam generation parabolic-trough solar thermal power plant is used to validate and compare the developed moving boundary models against finite volume models.

  16. Effect of precursor supply on structural and morphological characteristics of fe nanomaterials synthesized via chemical vapor condensation method.

    Science.gov (United States)

    Ha, Jong-Keun; Ahn, Hyo-Jun; Kim, Ki-Won; Nam, Tae-Hyun; Cho, Kwon-Koo

    2012-01-01

    Various physical, chemical and mechanical methods, such as inert gas condensation, chemical vapor condensation, sol-gel, pulsed wire evaporation, evaporation technique, and mechanical alloying, have been used to synthesize nanoparticles. Among them, chemical vapor condensation (CVC) has the benefit of its applicability to almost all materials because a wide range of precursors are available for large-scale production with a non-agglomerated state. In this work, Fe nanoparticles and nanowires were synthesized by chemical vapor condensation method using iron pentacarbonyl (Fe(CO)5) as the precursor. The effect of processing parameters on the microstructure, size and morphology of Fe nanoparticles and nanowires were studied. In particular, we investigated close correlation of size and morphology of Fe nanoparticles and nanowires with atomic quantity of inflow precursor into the electric furnace as the quantitative analysis. The atomic quantity was calculated by Boyle's ideal gas law. The Fe nanoparticles and nanowires with various diameter and morphology have successfully been synthesized by the chemical vapor condensation method.

  17. Intermolecular interactions in the condensed phase: Evaluation of semi-empirical quantum mechanical methods.

    Science.gov (United States)

    Christensen, Anders S; Kromann, Jimmy C; Jensen, Jan H; Cui, Qiang

    2017-10-28

    To facilitate further development of approximate quantum mechanical methods for condensed phase applications, we present a new benchmark dataset of intermolecular interaction energies in the solution phase for a set of 15 dimers, each containing one charged monomer. The reference interaction energy in solution is computed via a thermodynamic cycle that integrates dimer binding energy in the gas phase at the coupled cluster level and solute-solvent interaction with density functional theory; the estimated uncertainty of such calculated interaction energy is ±1.5 kcal/mol. The dataset is used to benchmark the performance of a set of semi-empirical quantum mechanical (SQM) methods that include DFTB3-D3, DFTB3/CPE-D3, OM2-D3, PM6-D3, PM6-D3H+, and PM7 as well as the HF-3c method. We find that while all tested SQM methods tend to underestimate binding energies in the gas phase with a root-mean-squared error (RMSE) of 2-5 kcal/mol, they overestimate binding energies in the solution phase with an RMSE of 3-4 kcal/mol, with the exception of DFTB3/CPE-D3 and OM2-D3, for which the systematic deviation is less pronounced. In addition, we find that HF-3c systematically overestimates binding energies in both gas and solution phases. As most approximate QM methods are parametrized and evaluated using data measured or calculated in the gas phase, the dataset represents an important first step toward calibrating QM based methods for application in the condensed phase where polarization and exchange repulsion need to be treated in a balanced fashion.

  18. Intermolecular interactions in the condensed phase: Evaluation of semi-empirical quantum mechanical methods

    Science.gov (United States)

    Christensen, Anders S.; Kromann, Jimmy C.; Jensen, Jan H.; Cui, Qiang

    2017-10-01

    To facilitate further development of approximate quantum mechanical methods for condensed phase applications, we present a new benchmark dataset of intermolecular interaction energies in the solution phase for a set of 15 dimers, each containing one charged monomer. The reference interaction energy in solution is computed via a thermodynamic cycle that integrates dimer binding energy in the gas phase at the coupled cluster level and solute-solvent interaction with density functional theory; the estimated uncertainty of such calculated interaction energy is ±1.5 kcal/mol. The dataset is used to benchmark the performance of a set of semi-empirical quantum mechanical (SQM) methods that include DFTB3-D3, DFTB3/CPE-D3, OM2-D3, PM6-D3, PM6-D3H+, and PM7 as well as the HF-3c method. We find that while all tested SQM methods tend to underestimate binding energies in the gas phase with a root-mean-squared error (RMSE) of 2-5 kcal/mol, they overestimate binding energies in the solution phase with an RMSE of 3-4 kcal/mol, with the exception of DFTB3/CPE-D3 and OM2-D3, for which the systematic deviation is less pronounced. In addition, we find that HF-3c systematically overestimates binding energies in both gas and solution phases. As most approximate QM methods are parametrized and evaluated using data measured or calculated in the gas phase, the dataset represents an important first step toward calibrating QM based methods for application in the condensed phase where polarization and exchange repulsion need to be treated in a balanced fashion.

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

    International Nuclear Information System (INIS)

    Dantus, Marcos

    2008-01-01

    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

  20. 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

  1. Quantum phase transition of Bose-Einstein condensates on a nonlinear ring lattice

    International Nuclear Information System (INIS)

    Zhou Zhengwei; Zhang Shaoliang; Zhou Xiangfa; Guo Guangcan; Zhou Xingxiang; Pu Han

    2011-01-01

    We study the phase transitions in a one-dimensional Bose-Einstein condensate on a ring whose atomic scattering length is modulated periodically along the ring. By using a modified Bogoliubov method to treat such a nonlinear lattice in the mean-field approximation, we find that the phase transitions are of different orders when the modulation period is 2 and greater than 2. We further perform a full quantum mechanical treatment based on the time-evolving block decimation algorithm which confirms the mean-field results and reveals interesting quantum behavior of the system. Our studies yield important knowledge of competing mechanisms behind the phase transitions and the quantum nature of this system.

  2. Linking the gaseous and the condensed phases of matter: The slow electron and its interactions

    International Nuclear Information System (INIS)

    Christophorou, L.G.

    1993-01-01

    The interfacing of the gaseous and the condensed phases of matter as effected by interphase and cluster studies on the behavior of key reactions involving slow electrons either as reacting initial particles or as products of the reactions themselves is discussed. Emphasis is placed on the measurement of both the cross sections and the energetics involved, although most of the available information to date is on the latter. The discussion is selectively focussed on electron scattering (especially the role of negative ion states in gases, clusters, and dense matter), ionization, electron attachment and photodetachment. The dominant role of the electric polarization of the medium is emphasized

  3. 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.

  4. 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.

  5. The influence of condensed tannin structure on rate of microbial mineralization and reactivity to chemical assays.

    Science.gov (United States)

    Norris, Charlotte E; Preston, Caroline M; Hogg, Karen E; Titus, Brian D

    2011-03-01

    We examined how tannin structure influences reactivity in tannin assays and carbon and nitrogen mineralization. Condensed tannins from the foliage of ten tree and shrub species and from pecan shells (Carya illinoensis) had different proportions of: (a) epicatechin (cis) and catechin (trans) isomers, (b) procyanidin (PC) and prodelphinidin (PD) monomers, and (c) different chain lengths. The response of each tannin to several widely used tannin assays was determined. Although there was some variation in response to proanthocyanidin (butanol/HCl) and Folin Ciocalteu assays, we did not deduce any predictable relationship between tannin structure and response to either assay. There was little variation in protein precipitation among the different tannins. To assess biological activity, six of the tannins were incubated with forest humus for 22 days. We determined that, while PC-based tannins remained at least partly extractable for the duration of the incubation, tannins with a high proportion of PD subunits rapidly became unextractable from soil. There was a positive correlation between net nitrogen mineralization and cis chemical structure. Carbon mineralization was enhanced initially by the addition of tannins to humus, but after 22 days, a negative correlation between the proportion of cis subunits and respiration was determined. Overall, we were not able to demonstrate consistent effects of structure on either microbial mineralization or reactivity to chemical assays; such relationships remain elusive.

  6. The physico-chemical problems involved in condenser cooling, circuit sealing and stain

    International Nuclear Information System (INIS)

    Ropars, Jean.

    1975-01-01

    Today thermal production of electric energy requiers the use of steam turbines and then needs cold sources (condensers), the latter being obtained by means of a water circulation. Considerable amounts of water are involved. For instance, as for a 900MW power plant of the PWR type, a 12 deg C heating needs 40m 3 /s of cooling water. The needs in water introduce a limitation in the possible site selection for power plant settling (seaside or river with an important steady flow). The important amounts of heat involved create environmental problems. Means for limiting the heat amount released consist in using atmospheric cooling systems. A further constraint relating to scaling is added to the usual corrosion and stain problems when operating the devices. Changes in the carbon dioxide equilibrium and concentration due to the passage through the air cooling systems causes such scaling formation. The evolution of the physico-chemical parameters of the cooling water is described with the risks resulting for the circuits. Means to be developed for preventing scaling, stain and corrosion are presented. The solutions kept by E.D.F. for the exploitation of cooling circuits are indicated. The procedure developed must avoid any chemical pollution of water wastes [fr

  7. Gas-Phase Molecular Dynamics: Theoretical Studies In Spectroscopy and Chemical Dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Yu H. G.; Muckerman, J.T.

    2012-05-29

    The main goal of this program is the development and application of computational methods for studying chemical reaction dynamics and molecular spectroscopy in the gas phase. We are interested in developing rigorous quantum dynamics algorithms for small polyatomic systems and in implementing approximate approaches for complex ones. Particular focus is on the dynamics and kinetics of chemical reactions and on the rovibrational spectra of species involved in combustion processes. This research also explores the potential energy surfaces of these systems of interest using state-of-the-art quantum chemistry methods, and extends them to understand some important properties of materials in condensed phases and interstellar medium as well as in combustion environments.

  8. 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

  9. Numerical simulation of gas-liquid two-phase flow behavior with condensation heat transfer

    International Nuclear Information System (INIS)

    Takamori, Kazuhide; Murase, Michio; Baba, Yoshikazu; Aihara, Tsuyoshi.

    1995-01-01

    In this study, condensation heat transfer experiments were performed in order to verify a condensation heat transfer model coupled with a three-dimensional two-phase flow analysis. In the heat transfer model, the liquid film flow rate on the heat transfer tubes was calculated by a mass balance equation and the liquid film thickness was calculated from the liquid film flow rate using Nusselt's laminar flow model and Fujii's equation for steam velocity effect. In the experiments, 112 horizontal staggered tubes with an outer diameter of 16 mm and length of 0.55 m were used. Steam and spray water were supplied to the test section, and inlet quality was controlled by the spray water flow rate. The temperature was 100degC and the pressure was 0.1 MPa. The overall heat transfer coefficients were measured for inlet quality of 13-100%. From parameter calculations for the falling liquid film ratio from the upper tubes to the lower tubes, the calculated overall heat transfer coefficients agreed with the data to within ±5% at the falling liquid film ratio of 0.7. (author)

  10. On the thermal phase structure of QCD at vanishing chemical potentials

    CERN Document Server

    Kabana, S

    2011-01-01

    The hypothesis is investigated, that the thermal structure of QCD phases at and near zero chemical potentials is determined by long range coherence, inducing the gauge boson pair condensate. The latter reflects the dynamical nature of gauge boson Bogoliubov transformations at the origin of localization of all color fields inside hadrons at low temperature in contrast to loss of such localization above a unique critical temperature.

  11. Ultrastructural organization of premature condensed chromosomes at S-phase as observed by atomic force microscopy

    International Nuclear Information System (INIS)

    Fan Yihui; Zhang Xiaohong; Bai Jing; Mao Renfang; Zhang Chunyu; Lei Qingquan; Fu Songbin

    2007-01-01

    In this study, we used calyculin A to induce premature condensed chromosomes (PCC). S-phase PCC is as 'pulverized' appearance when viewed by light microscopy. Then, we applied atomic force microscopy (AFM) to investigate the ultrastructual organization of S-phase PCC. S-phase PCC shows ridges and grooves as observed by AFM. After trypsin treatment, chromosome surface roughness is increased and chromosome thickness is decreased. At high magnification, the ridges are composed of densely packed 30 nm chromatin fibers which form chromosome axis. Around the ridges, many 30 nm chromatin fibers radiate from center. Some of the 30 nm chromatin fibers are free ends. The grooves are not real 'gap', but several 30 nm chromatin fibers which connect two ridges and form 'grid' structure. There are four chromatin fibers detached from chromosome: two free straight 30 nm chromatin fibers, one loop chromatin fiber and one straight combining with loop chromatin fiber. These results suggested that the S-phase PCC was high-order organization of 30 nm chromatin fibers and the 30 nm chromatin fibers could exist as loops and free ends

  12. Heat-transfer enhancement of two-phase closed thermosyphon using a novel cross-flow condenser

    Science.gov (United States)

    Aghel, Babak; Rahimi, Masoud; Almasi, Saeed

    2017-03-01

    The present study reports the heat-transfer performance of a two-phase closed thermosyphon (TPCT) equipped with a novel condenser. Distillated water was used as working fluid, with a volumetric liquid filling ratio of 75 %. An increase in heat flux was used to measure the response of the TPCT, including variations in temperature distribution, thermal resistance, average temperature of each section of TPCT and overall thermal difference. Results show that for various power inputs from 71 to 960 W, the TPCT with the novel condenser had a lower wall-temperature difference between the evaporator and condenser sections than did the unmodified TPCT. Given the experimental data for heat-transfer performance, it was found that the thermal resistance in the TPCT equipped with the proposed condenser was between 10 and 17 % lower than in the one without.

  13. Reflection Patterns Generated by Condensed-Phase Oblique Detonation Interaction with a Rigid Wall

    Science.gov (United States)

    Short, Mark; Chiquete, Carlos; Bdzil, John; Meyer, Chad

    2017-11-01

    We examine numerically the wave reflection patterns generated by a detonation in a condensed phase explosive inclined obliquely but traveling parallel to a rigid wall as a function of incident angle. The problem is motivated by the characterization of detonation-material confiner interactions. We compare the reflection patterns for two detonation models, one where the reaction zone is spatially distributed, and the other where the reaction is instantaneous (a Chapman-Jouguet detonation). For the Chapman-Jouguet model, we compare the results of the computations with an asymptotic study recently conducted by Bdzil and Short for small detonation incident angles. We show that the ability of a spatially distributed reaction energy release to turn flow streamlines has a significant impact on the nature of the observed reflection patterns. The computational approach uses a shock-fit methodology.

  14. Communication: Predictive partial linearized path integral simulation of condensed phase electron transfer dynamics

    International Nuclear Information System (INIS)

    Huo, Pengfei; Miller, Thomas F. III; Coker, David F.

    2013-01-01

    A partial linearized path integral approach is used to calculate the condensed phase electron transfer (ET) rate by directly evaluating the flux-flux/flux-side quantum time correlation functions. We demonstrate for a simple ET model that this approach can reliably capture the transition between non-adiabatic and adiabatic regimes as the electronic coupling is varied, while other commonly used semi-classical methods are less accurate over the broad range of electronic couplings considered. Further, we show that the approach reliably recovers the Marcus turnover as a function of thermodynamic driving force, giving highly accurate rates over four orders of magnitude from the normal to the inverted regimes. We also demonstrate that the approach yields accurate rate estimates over five orders of magnitude of inverse temperature. Finally, the approach outlined here accurately captures the electronic coherence in the flux-flux correlation function that is responsible for the decreased rate in the inverted regime

  15. 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.

  16. Field induced magnetic phase transition as a magnon Bose Einstein condensation

    Directory of Open Access Journals (Sweden)

    Teodora Radu et al

    2007-01-01

    Full Text Available We report specific heat, magnetocaloric effect and magnetization measurements on single crystals of the frustrated quasi-2D spin -½ antiferromagnet Cs2CuCl4 in the external magnetic field 0≤B≤12 T along a-axis and in the temperature range 0.03 K≤T≤6 K. Decreasing the applied magnetic field B from high fields leads to the closure of the field induced gap in the magnon spectrum at a critical field Bcsimeq8.44 T and a long-range incommensurate state below Bc. In the vicinity of Bc, the phase transition boundary is well described by the power law TN~(Bc-B1/phi with the measured critical exponent phisimeq1.5. These findings provide experimental evidence that the scaling law of the transition temperature TN can be described by the universality class of 3D Bose–Einstein condensation (BEC of magnons.

  17. Recondensation phenomena of a hot two-phase fluid in the presence of non condensable gases

    International Nuclear Information System (INIS)

    Berthoud, G.

    1983-09-01

    The condensation rates obtained during the expansion of a large hot bubble containing non condensable gases in its cold liquid is studied. The failure of theories derived from the Nusselt model for liquid metals led to use the kinetic theory of condensation. The additionnal resistance due to the presence of non condensable gases is expressed by the vapor diffusion through the layer of gases which accumulates at the interface. This model is then used to interprete experiments [fr

  18. A Model-Independent Discussion of Quark Number Density and Quark Condensate at Zero Temperature and Finite Quark Chemical Potential

    International Nuclear Information System (INIS)

    Xu Shu-Sheng; Shi Chao; Cui Zhu-Fang; Zong Hong-Shi; Jiang Yu

    2015-01-01

    Generally speaking, the quark propagator is dependent on the quark chemical potential in the dense quantum chromodynamics (QCD). By means of the generating functional method, we prove that the quark propagator actually depends on p_4 + iμ from the first principle of QCD. The relation between quark number density and quark condensate is discussed by analyzing their singularities. It is concluded that the quark number density has some singularities at certain μ when T = 0, and the variations of the quark number density as well as the quark condensate are located at the same point. In other words, at a certain μ the quark number density turns to nonzero, while the quark condensate begins to decrease from its vacuum value. (paper)

  19. 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.

  20. 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

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

    Directory of Open Access Journals (Sweden)

    Hongda Chen

    2018-01-01

    Full Text Available 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

  2. 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

  3. 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

  4. GASCON and MHDGAS: FORTRAN IV computer codes for calculating gas and condensed-phase compositions in the coal-fired open-cycle MHD system

    Energy Technology Data Exchange (ETDEWEB)

    Blackburn, P E

    1977-12-01

    Fortran IV computer codes have been written to calculate the equilibrium partial pressures of the gaseous phase and the quantity and composition of the condensed phases in the open-cycle MHD system. The codes are based on temperature-dependent equilibrium constants, mass conservation, the mass action law, and assumed ideal solution of compounds in each of two condensed phases. It is assumed that the phases are an oxide-silicate phase and a sulfate-carbonate-hydroxide phase. Calculations are iterated for gas and condensate concentrations while increasing or decreasing the total moles of elements, but keeping mole ratios constant, to achieve the desired total pressure. During iteration the oxygen partial pressure is incrementally changed. The decision to increase or decrease the oxygen pressure in this process depends on comparison of the oxygen content calculated in the gas and condensate phases with the initial amount of oxygen in the ash, coal, seed, and air. This process, together with a normalization step, allows the elements to converge to their initial quantities. Two versions of the computer code have been written. GASCON calculates the equilibrium gas partial pressures and the quantity and composition of the condensed phases in steps of thirteen temperature and pressure combinations in which the condensate is removed after each step, simulating continuous slag removal from the MHD system. MHDGAS retains the condensate for each step, simulating flow of condensate (and gas) through the MHD system.

  5. Driving CO2 to a Quasi-Condensed Phase at the Interface between a Nanoparticle Surface and a Metal-Organic Framework at 1 bar and 298 K.

    Science.gov (United States)

    Lee, Hiang Kwee; Lee, Yih Hong; Morabito, Joseph V; Liu, Yejing; Koh, Charlynn Sher Lin; Phang, In Yee; Pedireddy, Srikanth; Han, Xuemei; Chou, Lien-Yang; Tsung, Chia-Kuang; Ling, Xing Yi

    2017-08-23

    We demonstrate a molecular-level observation of driving CO 2 molecules into a quasi-condensed phase on the solid surface of metal nanoparticles (NP) under ambient conditions of 1 bar and 298 K. This is achieved via a CO 2 accumulation in the interface between a metal-organic framework (MOF) and a metal NP surface formed by coating NPs with a MOF. Using real-time surface-enhanced Raman scattering spectroscopy, a >18-fold enhancement of surface coverage of CO 2 is observed at the interface. The high surface concentration leads CO 2 molecules to be in close proximity with the probe molecules on the metal surface (4-methylbenzenethiol), and transforms CO 2 molecules into a bent conformation without the formation of chemical bonds. Such linear-to-bent transition of CO 2 is unprecedented at ambient conditions in the absence of chemical bond formation, and is commonly observed only in pressurized systems (>10 5 bar). The molecular-level observation of a quasi-condensed phase induced by MOF coating could impact the future design of hybrid materials in diverse applications, including catalytic CO 2 conversion and ambient solid-gas operation.

  6. Temperature-Dependent Change of Packing Structure of Condensed-Phase in a Micro-Phase Separated Langmuir Monolayer Studied by Grazing-Incidence X-ray Diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Iimura, Ken-ichi [Department of Applied Chemisty, Faculty of Engineering, Utsunomiya University, 7-1-2 Yoto, Utsunomiya 321-8585, Utsunomiya (Japan); Kato, Teiji [Department of Applied Chemisty, Faculty of Engineering, Utsunomiya University, 7-1-2 Yoto, Utsunomiya 321-8585, Utsunomiya (Japan); Brezesinski, Gerald [Max-Planck Instutite of Colloids and Interfaces, Research Campus Golm, D-14476 Potsdam (Germany)

    2007-10-15

    Packing structure of condensed-phase in a binary mixed Langmuir monolayer of behenic acid (C22) and perfluoro-2,5,8-trimethyl-3,6,9-trioxadodecanoic acid (PFPE) on a cadmium acetate aqueous solution was studied by grazing incidence X-ray diffraction (GIXD) as a function of the subphase temperature. The measurements were made during temperature scan at a fixed molecular area to explain the morphological change of the condensed-phase domains due to a thermal treatment reported previously. Analysis of GIXD data implies that the condensed-phase domains are composed of only the C22 molecules perpendicularly oriented and very closely packed in a centered rectangular unit cell with orthorhombic distortion at low temperatures. As the temperature increases the area occupied by molecule increases, and above 25 deg. C the lattice becomes disordered, which would allow morphological transformation of the condensed-phase domains. The process of packing structure change is almost reversible except for non-equilibrium phases observed for the monolayer spread at a low temperature, 5.5 deg. C.

  7. Temperature-Dependent Change of Packing Structure of Condensed-Phase in a Micro-Phase Separated Langmuir Monolayer Studied by Grazing-Incidence X-ray Diffraction

    International Nuclear Information System (INIS)

    Iimura, Ken-ichi; Kato, Teiji; Brezesinski, Gerald

    2007-01-01

    Packing structure of condensed-phase in a binary mixed Langmuir monolayer of behenic acid (C22) and perfluoro-2,5,8-trimethyl-3,6,9-trioxadodecanoic acid (PFPE) on a cadmium acetate aqueous solution was studied by grazing incidence X-ray diffraction (GIXD) as a function of the subphase temperature. The measurements were made during temperature scan at a fixed molecular area to explain the morphological change of the condensed-phase domains due to a thermal treatment reported previously. Analysis of GIXD data implies that the condensed-phase domains are composed of only the C22 molecules perpendicularly oriented and very closely packed in a centered rectangular unit cell with orthorhombic distortion at low temperatures. As the temperature increases the area occupied by molecule increases, and above 25 deg. C the lattice becomes disordered, which would allow morphological transformation of the condensed-phase domains. The process of packing structure change is almost reversible except for non-equilibrium phases observed for the monolayer spread at a low temperature, 5.5 deg. C

  8. Triplet--Triplet Absorption Spectra of Organic Molecules in Condensed Phases

    International Nuclear Information System (INIS)

    Carmichael, I.; Hug, G.L.

    1986-01-01

    We present a compilation of spectral parameters associated with triplet--triplet absorption of organic molecules in condensed media. The wavelengths of maximum absorbance and the corresponding extinction coefficients, where known, have been critically evaluated. Other data, for example, lifetimes, energies and energy transfer rates, relevant to the triplet states of these molecules are included by way of comments but have not been subjected to a similar scrutiny. Work in the gas phase has been omitted, as have theoretical studies. We provide an introduction to triplet state processes in solution and solids, developing the conceptual background and offering an historical perspective on the detection and measurement of triplet state absorption. Techniques employed to populate the triplet state are reviewed and the various approaches to the estimation of the extinction coefficient of triplet--triplet absorption are critically discussed. A statistical analysis of the available data is presented and recommendations for a hierarchical choice of extinction coefficients are made. Data collection is expected to be complete through the end of 1984. Compound name, molecular formula and author indexes are appended

  9. Interstellar silicate analogs for grain-surface reaction experiments: Gas-phase condensation and characterization of the silicate dust grains

    Energy Technology Data Exchange (ETDEWEB)

    Sabri, T.; Jäger, C. [Laboratory Astrophysics Group of the Max Planck Institute for Astronomy at the Friedrich Schiller University Jena Institute of Solid State Physics, Helmholtzweg 3, D-07743 Jena (Germany); Gavilan, L.; Lemaire, J. L.; Vidali, G. [Observatoire de Paris/Université de Cergy-Pontoise, 5 mail Gay Lussac, F-95000 Cergy-Pontoise (France); Mutschke, H. [Laboratory Astrophysics Group of the Astrophysical Institute and University Observatory, Friedrich Schiller University Jena Schillergässchen 3, D-07743 Jena (Germany); Henning, T., E-mail: tolou.sabri@uni-jena.de [Max Planck Institute for Astronomy Königstuhl 17, D-69117 Heidelberg (Germany)

    2014-01-10

    Amorphous, astrophysically relevant silicates were prepared by laser ablation of siliceous targets and subsequent quenching of the evaporated atoms and clusters in a helium/oxygen gas atmosphere. The described gas-phase condensation method can be used to synthesize homogeneous and astrophysically relevant silicates with different compositions ranging from nonstoichiometric magnesium iron silicates to pyroxene- and olivine-type stoichiometry. Analytical tools have been used to characterize the morphology, composition, and spectral properties of the condensates. The nanometer-sized silicate condensates represent a new family of cosmic dust analogs that can generally be used for laboratory studies of cosmic processes related to condensation, processing, and destruction of cosmic dust in different astrophysical environments. The well-characterized silicates comprising amorphous Mg{sub 2}SiO{sub 4} and Fe{sub 2}SiO{sub 4}, as well as the corresponding crystalline silicates forsterite and fayalite, produced by thermal annealing of the amorphous condensates, have been used as real grain surfaces for H{sub 2} formation experiments. A specifically developed ultra-high vacuum apparatus has been used for the investigation of molecule formation experiments. The results of these molecular formation experiments on differently structured Mg{sub 2}SiO{sub 4} and Fe{sub 2}SiO{sub 4} described in this paper will be the topic of the next paper of this series.

  10. 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

  11. MATHEMATICAL MODELING AND NUMERICAL SOLUTION OF IRON CORROSION PROBLEM BASED ON CONDENSATION CHEMICAL PROPERTIES

    Directory of Open Access Journals (Sweden)

    Basuki Widodo

    2012-02-01

    Full Text Available Corrosion process is a natural case that happened at the various metals, where the corrosion process in electrochemical can be explained by using galvanic cell. The iron corrosion process is based on the acidity degree (pH of a condensation, iron concentration and condensation temperature of electrolyte. Those are applied at electrochemistry cell. The iron corrosion process at this electrochemical cell also able to generate electrical potential and electric current during the process takes place. This paper considers how to build a mathematical model of iron corrosion, electrical potential and electric current. The mathematical model further is solved using the finite element method. This iron corrosion model is built based on the iron concentration, condensation temperature, and iteration time applied. In the electric current density model, the current based on electric current that is happened at cathode and anode pole and the iteration time applied. Whereas on the potential  electric model, it is based on the beginning of electric potential and the iteration time applied. The numerical results show that the part of iron metal, that is gristle caused by corrosion, is the part of metal that has function as anode and it has some influences, such as time depth difference, iron concentration and condensation temperature on the iron corrosion process and the sum of reduced mass during corrosion process. Moreover, difference influence of time and beginning electric potential has an effect on the electric potential, which emerges during corrosion process at the electrochemical cell. Whereas, at the electrical current is also influenced by difference of depth time and condensation temperature applied.Keywords: Iron Corrosion, Concentration of iron, Electrochemical Cell and Finite Element Method

  12. 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...

  13. A GROMOS-Compatible Force Field for Small Organic Molecules in the Condensed Phase: The 2016H66 Parameter Set.

    Science.gov (United States)

    Horta, Bruno A C; Merz, Pascal T; Fuchs, Patrick F J; Dolenc, Jozica; Riniker, Sereina; Hünenberger, Philippe H

    2016-08-09

    This article reports on the calibration and validation of a new GROMOS-compatible parameter set 2016H66 for small organic molecules in the condensed phase. The calibration is based on 62 organic molecules spanning the chemical functions alcohol, ether, aldehyde, ketone, carboxylic acid, ester, amine, amide, thiol, sulfide, and disulfide, as well as aromatic compounds and nucleic-acid bases. For 57 organic compounds, the calibration targets are the experimental pure-liquid density ρliq and the vaporization enthalpy ΔHvap, as well as the hydration free energy ΔGwat and the solvation free energy ΔGche in cyclohexane, at atmospheric pressure and at (or close to) room temperature. The final root-mean-square deviations (RMSD) for these four quantities over the set of compounds are 32.4 kg m(-3), 3.5 kJ mol(-1), 4.1 kJ mol(-1), and 2.1 kJ mol(-1), respectively, and the corresponding average deviations (AVED) are 1.0 kg m(-3), 0.2 kJ mol(-1), 2.6 kJ mol(-1), and 1.0 kJ mol(-1), respectively. For the five nucleic-acid bases, the parametrization is performed by transferring the final 2016H66 parameters from analogous organic compounds followed by a slight readjustment of the charges to reproduce the experimental water-to-chloroform transfer free energies ΔGtrn. The final RMSD for this quantity over the five bases is 1.7 kJ mol(-1), and the corresponding AVED is 0.8 kJ mol(-1). As an initial validation of the 2016H66 set, seven additional thermodynamic, transport, and dielectric properties are calculated for the 57 organic compounds in the liquid phase. The agreement with experiment in terms of these additional properties is found to be reasonable, with significant deviations typically affecting either a specific chemical function or a specific molecule. This suggests that in most cases, a classical force-field description along with a careful parametrization against ρliq, ΔHvap, ΔGwat, and ΔGche results in a model that appropriately describes the liquid in terms of

  14. 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

  15. Atomic-phase interference devices based on ring-shaped Bose-Einstein condensates: Two-ring case

    International Nuclear Information System (INIS)

    Anderson, B.P.; Dholakia, K.; Wright, E.M.

    2003-01-01

    We theoretically investigate the ground-state properties and quantum dynamics of a pair of adjacent ring-shaped Bose-Einstein condensates that are coupled via tunneling. This device, which is the analog of a symmetric superconducting quantum interference device, is the simplest version of what we term an atomic-phase interference device (APHID). The two-ring APHID is shown to be sensitive to rotation

  16. Non-Markovian response of ultrafast coherent electronic ring currents in chiral aromatic molecules in a condensed phase

    International Nuclear Information System (INIS)

    Mineo, H.; Lin, S. H.; Fujimura, Y.; Xu, J.; Xu, R. X.; Yan, Y. J.

    2013-01-01

    Results of a theoretical study on non-Markov response for femtosecond laser-driven coherent ring currents in chiral aromatic molecules embedded in a condensed phase are presented. Coherent ring currents are generated by coherent excitation of a pair of quasi-degenerated π-electronic excited states. The coherent electronic dynamical behaviors are strongly influenced by interactions between the electronic system and phonon bath in a condensed phase. Here, the bath correlation time is not instantaneous but should be taken to be a finite time in ultrashort time-resolved experiments. In such a case, Markov approximation breaks down. A hierarchical master equation approach for an improved semiclassical Drude dissipation model was adopted to examine the non-Markov effects on ultrafast coherent electronic ring currents of (P)-2,2 ′ -biphenol in a condensed phase. Time evolution of the coherent ring current derived in the hierarchical master equation approach was calculated and compared with those in the Drude model in the Markov approximation and in the static limit. The results show how non-Markovian behaviors in quantum beat signals of ring currents depend on the Drude bath damping constant. Effects of temperatures on ultrafast coherent electronic ring currents are also clarified

  17. Rotational symmetry breaking and topological phase transition in the exciton-polariton condensate of gapped 2D Dirac material

    Science.gov (United States)

    Lee, Ki Hoon; Lee, Changhee; Jeong, Jae-Seung; Min, Hongki; Chung, Suk Bum

    For the quantum well in an optical microcavity, the interplay of the Coulomb interaction and the electron-photon coupling can lead to the emergence of bosonic quasiparticles consisting of the exciton and the cavity photon known as polariton, which can form the Bose-Einstein condensate above a threshold density. Additional physics due to the nontrivial Berry phase comes into play when the quantum well consists of the gapped Dirac material such as the transition metal dichalcogenide (TMD) MoS2 or WTe2. Specifically, in forming excitons, the electron-photon coupling from the optical selection rule due to the Berry phase competes against, rather than cooperates with, the Coulomb interaction. We find that this competition gives rise to the spontaneous breaking of the rotational symmetry in the polariton condensate and also drives topological phase transition, both novel features in polariton condensation. We also investigate the possible detection of this competition through photoluminescence. This work was supported in part by the Institute for Basic Science of Korea (IBS) under Grant IBS-R009-Y1 and by the National Research Foundation of Korea (NRF) under the Basic Science Research Program Grant No. 2015R1D1A1A01058071.

  18. 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)

  19. Nonlinear Optical Spectroscopy in the Time Domain: Studies of Ultrafast Molecular Processes in the Condensed Phase.

    Science.gov (United States)

    Joo, Taiha

    Ultrafast molecular processes in the condensed phase at room temperature are studied in the time domain by four wave mixing spectroscopy. The structure/dynamics of various quantum states can be studied by varying the time ordering of the incident fields, their polarization, their colors, etc. In one, time-resolved coherent Stokes Raman spectroscopy of benzene is investigated at room temperature. The reorientational correlation time of benzene as well as the T_2 time of the nu _1 ring-breathing mode have been measured by using two different polarization geometries. Bohr frequency difference beats have also been resolved between the nu_1 modes of ^ {12}C_6H_6 and ^{12}C_5^{13 }CH_6.. The dephasing dynamics of the nu _1 ring-breathing mode of neat benzene is studied by time-resolved coherent anti-Stokes Raman scattering. Ultrafast time resolution reveals deviation from the conventional exponential decay. The correlation time, tau _{rm c}, and the rms magnitude, Delta, of the Bohr frequency modulation are determined for the process responsible for the vibrational dephasing by Kubo dephasing function analysis. The electronic dephasing of two oxazine dyes in ethylene glycol at room temperature is investigated by photon echo experiments. It was found that at least two stochastic processes are responsible for the observed electronic dephasing. Both fast (homogeneous) and slow (inhomogeneous) dynamics are recovered using Kubo line shape analysis. Moreover, the slow dynamics is found to spectrally diffuse over the inhomogeneous distribution on the time scale around a picosecond. Time-resolved degenerate four wave mixing signal of dyes in a population measurement geometry is reported. The vibrational coherences both in the ground and excited electronic states produced strong oscillations in the signal together with the usual population decay from the excited electronic state. Absolute frequencies and their dephasing times of the vibrational modes at ~590 cm^{-1} are obtained

  20. Solid‐Phase Synthesis of Structurally Diverse Heterocycles by an Amide–Ketone Condensation/N‐Acyliminium Pictet–Spengler Sequence

    DEFF Research Database (Denmark)

    Komnatnyy, Vitaly V.; Givskov, Michael Christian; Nielsen, Thomas Eiland

    2012-01-01

    An efficient approach for the solid‐phase synthesis of structurally diverse heterocyclic compounds is presented. Under acidic reaction conditions, peptidic levulinamides undergo intramolecular ketone–amide condensation reactions to form cyclic N‐acyliminium intermediates. In the presence...

  1. Experimental phase behavior study of a five-component model gas condensate

    NARCIS (Netherlands)

    Shariati - Sarabi, A.; Straver, E.J.M.; Florusse, L.J.; Peters, C.J.

    2014-01-01

    In this work, the bubble points and dew points of a multicomponent mixture of methane, butane, heptane, decane and tetradecane as a model mixture representative of a gas condensate, have been measured experimentally. Ten samples with approximately the same composition were prepared and their

  2. CFD Modeling of Wall Steam Condensation: Two-Phase Flow Approach versus Homogeneous Flow Approach

    International Nuclear Information System (INIS)

    Mimouni, S.; Mechitoua, N.; Foissac, A.; Hassanaly, M.; Ouraou, M.

    2011-01-01

    The present work is focused on the condensation heat transfer that plays a dominant role in many accident scenarios postulated to occur in the containment of nuclear reactors. The study compares a general multiphase approach implemented in NEPTUNE C FD with a homogeneous model, of widespread use for engineering studies, implemented in Code S aturne. The model implemented in NEPTUNE C FD assumes that liquid droplets form along the wall within nucleation sites. Vapor condensation on droplets makes them grow. Once the droplet diameter reaches a critical value, gravitational forces compensate surface tension force and then droplets slide over the wall and form a liquid film. This approach allows taking into account simultaneously the mechanical drift between the droplet and the gas, the heat and mass transfer on droplets in the core of the flow and the condensation/evaporation phenomena on the walls. As concern the homogeneous approach, the motion of the liquid film due to the gravitational forces is neglected, as well as the volume occupied by the liquid. Both condensation models and compressible procedures are validated and compared to experimental data provided by the TOSQAN ISP47 experiment (IRSN Saclay). Computational results compare favorably with experimental data, particularly for the Helium and steam volume fractions.

  3. Polariton condensation phase diagram in wide-band-gap planar microcavities: GaN versus ZnO

    Science.gov (United States)

    Jamadi, O.; Réveret, F.; Mallet, E.; Disseix, P.; Médard, F.; Mihailovic, M.; Solnyshkov, D.; Malpuech, G.; Leymarie, J.; Lafosse, X.; Bouchoule, S.; Li, F.; Leroux, M.; Semond, F.; Zuniga-Perez, J.

    2016-03-01

    The polariton condensation phase diagram is compared in GaN and ZnO microcavities grown on mesa-patterned silicon substrate. Owing to a common platform, these microcavities share similar photonic properties with large quality factors and low photonic disorder, which makes it possible to determine the optimal spot diameter and to realize a thorough phase diagram study. Both systems have been investigated under the same experimental conditions. The experimental results and the subsequent analysis reveal clearly that longitudinal optical phonons have no influence in the thermodynamic region of the condensation phase diagram, while they allow a strong (slight) decrease of the polariton lasing threshold in the trade-off zone (kinetic region). Phase diagrams are compared with numerical simulations using Boltzmann equations, and are in satisfactory agreement. A lower polariton lasing threshold has been measured at low temperature in the ZnO microcavity, as is expected due to a larger Rabi splitting. This study highlights polariton relaxation mechanisms and their importance in polariton lasing.

  4. Phase collapse and revival of a 1-mode Bose-Einstein condensate induced by an off-resonant optical probe field and superselection rules

    Science.gov (United States)

    Arruda, L. G. E.; Prataviera, G. A.; de Oliveira, M. C.

    2018-02-01

    Phase collapse and revival for Bose-Einstein condensates are nonlinear phenomena appearing due to atomic collisions. While it has been observed in a general setting involving many modes, for one-mode condensates its occurrence is forbidden by the particle number superselection rule (SSR), which arises because there is no phase reference available. We consider a single mode atomic Bose-Einstein condensate interacting with an off-resonant optical probe field. We show that the condensate phase revival time is dependent on the atom-light interaction, allowing optical control on the atomic collapse and revival dynamics. Incoherent effects over the condensate phase are included by considering a continuous photo-detection over the probe field. We consider conditioned and unconditioned photo-counting events and verify that no extra control upon the condensate is achieved by the probe photo-detection, while further inference of the atomic system statistics is allowed leading to a useful test of the SSR on particle number and its imposition on the kind of physical condensate state.

  5. 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

  6. Continuous condensation in nanogrooves

    Science.gov (United States)

    Malijevský, Alexandr

    2018-05-01

    We consider condensation in a capillary groove of width L and depth D , formed by walls that are completely wet (contact angle θ =0 ), which is in a contact with a gas reservoir of the chemical potential μ . On a mesoscopic level, the condensation process can be described in terms of the midpoint height ℓ of a meniscus formed at the liquid-gas interface. For macroscopically deep grooves (D →∞ ), and in the presence of long-range (dispersion) forces, the condensation corresponds to a second-order phase transition, such that ℓ ˜(μcc-μ ) -1 /4 as μ →μcc - where μc c is the chemical potential pertinent to capillary condensation in a slit pore of width L . For finite values of D , the transition becomes rounded and the groove becomes filled with liquid at a chemical potential higher than μc c with a difference of the order of D-3. For sufficiently deep grooves, the meniscus growth initially follows the power law ℓ ˜(μcc-μ ) -1 /4 , but this behavior eventually crosses over to ℓ ˜D -(μ-μc c) -1 /3 above μc c, with a gap between the two regimes shown to be δ ¯μ ˜D-3 . Right at μ =μc c , when the groove is only partially filled with liquid, the height of the meniscus scales as ℓ*˜(D3L) 1 /4 . Moreover, the chemical potential (or pressure) at which the groove is half-filled with liquid exhibits a nonmonotonic dependence on D with a maximum at D ≈3 L /2 and coincides with μc c when L ≈D . Finally, we show that condensation in finite grooves can be mapped on the condensation in capillary slits formed by two asymmetric (competing) walls a distance D apart with potential strengths depending on L . All these predictions, based on mesoscopic arguments, are confirmed by fully microscopic Rosenfeld's density functional theory with a reasonable agreement down to surprisingly small values of both L and D .

  7. 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 .

  8. 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

    2018-04-01

    We report a theoretical study of the frequency shift (redshift) of the stretching fundamental transition of an H2 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 H2 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 H2 and the water domains are treated as rigid. The 5D intermolecular potential energy surface (PES) of H2 inside a hydrate domain is assumed to be pairwise additive. The H2-H2O pair interaction, represented by the 5D (rigid monomer) PES that depends on the vibrational state of H2, v =0 or v =1 , is derived from the high-quality ab initio full-dimensional (9D) PES of the H2-H2O complex [P. Valiron et al., J. Chem. Phys. 129, 134306 (2008)]. The H2 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 H2 change very little with the domain size, unlike the H2 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 H2O molecules in the first three complete hydration shells around H2.

  9. Integration of gas phase condensed nanoparticles in YBa_2Cu_3O_7_-_δ multilayers

    International Nuclear Information System (INIS)

    Sparing, Maria

    2012-01-01

    The control and targeted variation of nanoparticles properties is a central challenge in research on particle induced defects in YBa_2Cu_3O_7_-_δ. Using a combined Sputter-PLD system with inert gas condensation particle size and density integrated into the YBCO multilayers were varied independently. The cooling process influences the electrical properties of the multilayers. The effect of HfO2 and FePt nanoparticles on the structural and electrical properties was studied.

  10. Numerical Method based on SIMPLE Algorithm for a Two-Phase Flow with Non-condensable Gas

    International Nuclear Information System (INIS)

    Kim, Jong Tae

    2009-08-01

    In this study, a numerical method based on SIMPLE algorithm for a two-phase flow with non-condensable gas has been developed in order to simulate thermal hydraulics in a containment of a nuclear power plant. As governing equations, it adopts a two-fluid three-field model for the two-phase flows. The three fields include gas, drops, and continuous liquid. The gas field can contains vapor and non-condensable gases such as air and hydrogen. In order to resolve mixing phenomena of gas species, gas transport equations for each species base on the gas mass fractions are solved with gas phase governing equations such as mass, momentum and energy equations. Methods to evaluate the properties of the gas species were implemented in the code. They are constant or polynomial function based a user input and a property library from Chemkin and JANAF table for gas specific heat. Properties for the gas mixture which are dependent on mole fractions of the gas species were evaluated by a mix rule

  11. 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.

  12. Microfabricated Gas Phase Chemical Analysis Systems

    International Nuclear Information System (INIS)

    FRYE-MASON, GREGORY CHARLES; HELLER, EDWIN J.; HIETALA, VINCENT M.; KOTTENSTETTE, RICHARD; LEWIS, PATRICK R.; MANGINELL, RONALD P.; MATZKE, CAROLYN M.; WONG, CHUNGNIN C.

    1999-01-01

    A portable, autonomous, hand-held chemical laboratory ((micro)ChemLab(trademark)) is being developed for trace detection (ppb) of chemical warfare (CW) agents and explosives in real-world environments containing high concentrations of interfering compounds. Microfabrication is utilized to provide miniature, low-power components that are characterized by rapid, sensitive and selective response. Sensitivity and selectivity are enhanced using two parallel analysis channels, each containing the sequential connection of a front-end sample collector/concentrator, a gas chromatographic (GC) separator, and a surface acoustic wave (SAW) detector. Component design and fabrication and system performance are described

  13. Synthesis of chiral polyaniline films via chemical vapor phase polymerization

    DEFF Research Database (Denmark)

    Chen, J.; Winther-Jensen, B.; Pornputtkul, Y.

    2006-01-01

    Electrically and optically active polyaniline films doped with (1)-(-)-10- camphorsulfonic acid were successfully deposited on nonconductive substrates via chemical vapor phase polymerization. The above polyaniline/ R- camphorsulfonate films were characterized by electrochemical and physical...

  14. Persistent local chemical bonds in intermetallic phase formation

    Energy Technology Data Exchange (ETDEWEB)

    Bai, Yanwen [Key Laboratory for Liquid–Solid Structural Evolution and Processing of Materials, Ministry of Education, Shandong University, Jinan 250061 (China); Bian, Xiufang, E-mail: xfbian@sdu.edu.cn [Key Laboratory for Liquid–Solid Structural Evolution and Processing of Materials, Ministry of Education, Shandong University, Jinan 250061 (China); Qin, Xubo [Key Laboratory for Liquid–Solid Structural Evolution and Processing of Materials, Ministry of Education, Shandong University, Jinan 250061 (China); Zhang, Shuo; Huang, Yuying [Shanghai Synchrotron Radiation Facilities, Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201204 (China)

    2014-05-01

    We found a direct evidence for the existence of the local chemical Bi–In bonds in the BiIn{sub 2} melt. These bonds are strong and prevail, dominating the structure evolution of the intermetallic clusters. From the local structure of the melt-quenched BiIn{sub 2} ribbon, the chemical Bi–In bonds strengthen compared with those in the equilibrium solidified alloy. The chemical bonds in BiIn{sub 2} melt retain to solid during a rapid quenching process. The results suggest that the intermetallic clusters in the melt evolve into the as-quenched intermetallic phase, and the intermetallic phase originates from the chemical bonds between unlike atoms in the melt. The chemical bonds preserve the chemical ordered clusters and dominate the clusters evolution.

  15. Dynamics of the formation of the condensed phase particles at detonation of high explosives

    CERN Document Server

    Evdokov, O V; Kulipanov, G N; Luckjanchikov, L A; Lyakhov, N Z; Mishnev, S I; Sharafutdinov, M R; Sheromov, M A; Ten, K A; Titov, V M; Tolochko, B P; Zubkov, P I

    2001-01-01

    The article presents the results of the experimental study SAXS on condensed carbon particles that appear at the detonation of a high explosive. It was shown that the SAXS signal rises for 1.5-4 mu s after the detonation front passing. The SAXS signal in trotyl and its alloys with hexogen starts just after the compression of the material in the detonation wave. In octogen, hexogen and PETN, the SAXS signal appears in 0.5 mu s and is much smaller than the signal at the detonation of trotyl and its alloys with hexogen.

  16. Theoretical Studies on Expressions of Condensed-Phase Photoionization Cross Section

    International Nuclear Information System (INIS)

    Ma Xiaoguang; Wang Meishan; Wang Dehua; Qu Zhaojun

    2006-01-01

    A set of general expressions for photoionization cross sections of atoms or molecules embedded in a medium and a dielectric influence function are derived based on Maxwell's equations and the Beer-Lambert's law in this work. The applications are performed for the photoionization process of solid gold both in the Clausius-Mossotti (virtual cavity) model and the Glauber-Lewenstein (real cavity) model firstly. The results show that the present theoretical expressions of photoionization cross section can be used to describe the photoionization process of atoms in condensed matter properly.

  17. Macroscopic self-trapping in Bose-Einstein condensates: Analysis of a dynamical quantum phase transition

    International Nuclear Information System (INIS)

    Julia-Diaz, B.; Dagnino, D.; Martorell, J.; Polls, A.; Lewenstein, M.

    2010-01-01

    We consider a Bose-Einstein condensate in a double-well potential undergoing a dynamical transition from the regime of Josephson oscillations to the regime of self-trapping. We analyze the statistical properties of the ground state (or the highest excited state) of the Hamiltonian in these two regimes for attractive (repulsive) interactions. We demonstrate that it is impossible to describe the transition within the mean-field theory. In contrast, the transition proceeds through a strongly correlated delocalized state, with large quantum fluctuations, and spontaneous breaking of the symmetry.

  18. 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

  19. Impacts of the mixing state and chemical composition on the cloud condensation nuclei (CCN) activity in Beijing during winter, 2016

    Science.gov (United States)

    Ren, J.; Zhang, F.

    2017-12-01

    Abstract.Understanding aerosol chemical composition and mixing state on CCN activity in polluted urban area is crucial to determine NCCN accurately and thus to quantify aerosol indirect effects. Aerosol hrgroscopicity, size-resolved cloud condensation nuclei (CCN) concentration and chemical composition are measured under polluted and background conditions in Beijing based on the Air Pollution and Human Health (APHH) field campaign in winter 2016. The CCN number concentration (NCCN) is predicted by using κ-Köhler theory from the PNSD and five simplified of the mixing state and chemical composition. The assumption of EIS (sulfate, nitrate and SOA internally mixed, and POA and BC externally mixed with size-resolved chemical composition) shows the best closure to predict NCCN with the ratio of predicted to measured NCCN of 0.96-1.12 both in POL and BG conditions. Under BG conditions, IB (internal mixture with bulk chemical composition) scheme achieves the best CCN closure during any periods of a day. In polluted days, EIS and IS (internal mixture with size-resolved chemical composition) scheme may achieve better closure than IB scheme due to the heterogeneity in particles composition across different size. ES (external mixture with size-resolved chemical composition) and EB (external mixture with bulk chemical composition) scheme markedly underestimate the NCCN with the ratio of predicted to measured NCCN of 0.6-0.8. In addition, we note that assumptions of size-resolved composition (IS or ES) show very limited promotes by comparing with the assumptions of bulk composition (IB or EB), furthermore, the prediction becomes worse by using size-resolved assumption in clean days. The predicted NCCN during eve-rush periods shows the most sensitivity to the five different assumptions, with ratios of the predicted and measured NCCN ranging from 0.5 to 1.4, reflecting great impacts from evening traffic and cooking sources. The result from the sensitivity examination of predict

  20. 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...

  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. 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

  3. Chemical track effects in condensed systems and implications for biological damage

    International Nuclear Information System (INIS)

    Magee, J.L.; Chatterjee, A.

    1979-01-01

    The spatial distributions of reactive intermediates, chemical reactions, and products are involved in the chemical interests in particle tracks. Biological systems are considred to be concentrated aqueous solutions, and the reactions of biological molecules can occur at any time including prethermal period. Heavy particles lose approximately equal amounts of energy by two mechanisms which lead to the different patterns of energy deposit; that is, the resonant process with individual losses in the range of 0 - 100 eV, and the knock-on process which creates recoil electrons in spectra from 100 eV to the maximum. The survival of cultured cells after irradiation depends on certain parameters of the radiation. Such theories seem to imply that the deposit of energy in the proper location of a cell can guarantee its death, that is, there is all-or-none effect, dependent solely on the absorption of energy. The initial dissociation of water is assumed to require 17 eV. A weakness regarding heavy particle tracks is the lack of knowledge on the phenomena that occur at extremely high energy deposit, approximately 1000 eV per A. Significantly high temperature must be generated, accompanied by shock waves and bubble formation. In a radical diffusion model for cell survival, it is assumed that a particular type of the lesion of DNA may be formed by a purely chemical process which can provide a certain lethality. The chemical processes following the energy deposit by high energy particles are known at least in approximate way, including most of the phenomena in space and time. (Yamashita, S.)

  4. 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

  5. Towards a Better Control of Chemicals Dosing in Condenser Open-Recirculating Cooling Systems Through the Use of Modelling

    International Nuclear Information System (INIS)

    Lambert, Philippa; Lepine, Gaelle; Rapenne, Sophie; Demay, Eric; Jardin, Audrey; Shakourzadeh, Khalil; Alos-Ramos, Olga

    2012-09-01

    The main issue of condenser open recirculating cooling systems remains scaling. This can have high economic consequences due to a loss of thermal exchange, an increase of maintenance costs and potentially plant shutdown. To tackle this problem, EDF is currently designing new chemicals' dosing equipment for anti-scalants or acid. To optimise treatment cost and limit the chemicals' environmental impact, dosing and control systems should be efficient enough to add only the required quantity to prevent scaling without overdosing. CooliSS C , a model developed for simulating the water chemistry of open recirculating cooling systems, can be used to adjust acid dosage and to pre-evaluate selected acid control systems. In circuits with no current treatment, where the scaling situation is being monitored, CooliSS C is a useful tool in predicting scaling potential and could even be used to predict the expected quantity of deposits. In the first case study, CooliSS ST, the static version of the model, was used to evaluate the sulfuric acid injection needs for Golfech nuclear power plant following a modification to the condenser cooling water circuit operating conditions. The results obtained via simulation were compared with manual calculations in order to demonstrate the accuracy of the software. In the second case study, CooliSS DX, the dynamic version of the CooliSS C model, was used to evaluate new acid control systems planned for Cruas nuclear power plant before the systems' commissioning. CooliSS DX predicts the scaling rate in the different parts of the cooling water system as a function of time. In fact, this version is able to calculate the variations of chemical composition along the circuit when operating conditions change (make-up quality, flow rates, evaporation rate, temperature...). A module was combined to CooliSS DX to evaluate acid control equipment. This module allows the initial calculation of the acid flow rate as a function of operating

  6. 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

  7. 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

  8. Atmospheric transport of persistent semi-volatile organic chemicals to the Arctic and cold condensation in the mid-troposphere – Part 1: 2-D modeling in mean atmosphere

    Directory of Open Access Journals (Sweden)

    J. Ma

    2010-08-01

    Full Text Available In the first part of this study for revisiting the cold condensation effect on global distribution of semi-volatile organic chemicals (SVOCs, the atmospheric transport of SVOCs to the Arctic in the mid-troposphere in a mean meridional atmospheric circulation over the Northern Hemisphere was simulated by a two-dimensional (2-D atmospheric transport model. Results show that under the mean meridional atmospheric circulation the long-range atmospheric transport of SVOCs from warm latitudes to the Arctic occurs primarily in the mid-troposphere. Although major sources are in low and mid-latitude soils, the modeled air concentration of SVOCs in the mid-troposphere is of the same order as or higher than that near the surface, demonstrating that the mid-troposphere is an important pathway and reservoir of SVOCs. The cold condensation of the chemicals is also likely to take place in the mid-troposphere over a source region of SVOCs in warm low latitudes through interacting with clouds. We demonstrate that the temperature dependent vapour pressure and atmospheric degradation rate of SVOCs exhibit similarities between lower atmosphere over the Arctic and the mid-troposphere over a tropical region. Frequent occurrence of atmospheric ascending motion and convection over warm latitudes carry the chemicals to a higher altitude where some of these chemicals may partition onto solid or aqueous phase through interaction with atmospheric aerosols, cloud water droplets and ice particles, and become more persistent at lower temperatures. Stronger winds in the mid-troposphere then convey solid and aqueous phase chemicals to the Arctic where they sink by large-scale descending motion and wet deposition. Using calculated water droplet-air partitioning coefficient of several persistent organic semi-volatile chemicals under a mean air temperature profile from the equator to the North Pole we propose that clouds are likely important sorbing media for SVOCs and pathway of

  9. 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.

  10. Field-induced phase transition in a metalorganic spin-dimer system-a potential model system to study Bose-Einstein condensation of magnons

    International Nuclear Information System (INIS)

    Tsui, Y.; Bruehl, A.; Removic-Langer, K.; Pashchenko, V.; Wolf, B.; Donath, G.; Pikul, A.; Kretz, T.; Lerner, H.-W.; Wagner, M.; Salguero, A.; Saha-Dasgupta, T.; Rahaman, B.; Valenti, R.; Lang, M.

    2007-01-01

    We report on the results obtained from studying electron spin resonance, magnetic susceptibility, specific heat and thermal expansion experiments on a metalorganic spin-dimer system, C 36 H 48 Cu 2 F 6 N 8 O 12 S 2 (TK91). According to the first principle Density Functional Theory calculations, the compound represents a 3D-coupled dimer system with intradimer coupling J 1 /k B ∼ 10K and interdimer couplings J 2 /k B ∼J 3 /k B ∼ 1K. The measurements have been performed on both pressed powder and single-crystal samples in external magnetic fields up to 12T and at low temperatures down to ∼ 0.2K. Susceptibility measurements reveal a spin-gap behavior consistent with the theoretical results. Furthermore, clear indications of a field-induced phase transition have been observed. A similar field-induced phase transition was also detected in an inorganic compound TlCuCl 3 and was interpreted as Bose-Einstein condensation (BEC) of magnons. The possibility of changing both the intradimer and interdimer couplings in TK91 by chemical substitutions makes the system a potentially good system to study BEC of magnons

  11. 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.

  12. Chemical aging of single and multicomponent biomass burning aerosol surrogate particles by OH: implications for cloud condensation nucleus activity

    Directory of Open Access Journals (Sweden)

    J. H. Slade

    2015-09-01

    Full Text Available Multiphase OH and O3 oxidation reactions with atmospheric organic aerosol (OA can influence particle physicochemical properties including composition, morphology, and lifetime. Chemical aging of initially insoluble or low-soluble single-component OA by OH and O3 can increase their water solubility and hygroscopicity, making them more active as cloud condensation nuclei (CCN and susceptible to wet deposition. However, an outstanding problem is whether the effects of chemical aging on their CCN activity are preserved when mixed with other organic or inorganic compounds exhibiting greater water solubility. In this work, the CCN activity of laboratory-generated biomass burning aerosol (BBA surrogate particles exposed to OH and O3 is evaluated by determining the hygroscopicity parameter, κ, as a function of particle type, mixing state, and OH and O3 exposure applying a CCN counter (CCNc coupled to an aerosol flow reactor (AFR. Levoglucosan (LEV, 4-methyl-5-nitrocatechol (MNC, and potassium sulfate (KS serve as representative BBA compounds that exhibit different hygroscopicity, water solubility, chemical functionalities, and reactivity with OH radicals, and thus exemplify the complexity of mixed inorganic/organic aerosol in the atmosphere. The CCN activities of all of the particles were unaffected by O3 exposure. Following exposure to OH, κ of MNC was enhanced by an order of magnitude, from 0.009 to ~ 0.1, indicating that chemically aged MNC particles are better CCN and more prone to wet deposition than pure MNC particles. No significant enhancement in κ was observed for pure LEV particles following OH exposure. κ of the internally mixed particles was not affected by OH oxidation. Furthermore, the CCN activity of OH-exposed MNC-coated KS particles is similar to the OH unexposed atomized 1 : 1 by mass MNC : KS binary-component particles. Our results strongly suggest that when OA is dominated by water-soluble organic carbon (WSOC or inorganic ions

  13. Structure and dynamics of molecular complex He2*(a3Σu+) in condensed phases of helium

    International Nuclear Information System (INIS)

    Kafanov, S.G.; Parshin, A.Ya.; Tadoshchenko, I.A.

    2000-01-01

    The absorption spectra of the helium triplet metastable molecules in the a 3 Σ u + states in the liquid 4 He and 3 He by various pressures and in the 3 He dense gas are studied. The analysis of the spectrum, corresponding to the a 3 Σ u + → c 3 Σ g + transition, proves the conclusion on the availability of a microscopic bubble, surrounding the molecule in the liquid helium. Simple approximation of the wave function of the molecule valent electron is proposed and the bubble parameters under various experimental conditions are determined. The coefficient conditions are determined. The coefficient of the molecular recombination in the liquid 3 He and 4 He by different pressures and in the 3 He cold gas is experimentally determined. The obtained results agree well with the mutual recombination theory. It is shown, that molecular polarization in the helium condensed phases under the magnetic field effect does not lead to their mutual recombination [ru

  14. A new linearized theory of laminar film condensation of two phase annular flow in a capillary pumped loop

    Science.gov (United States)

    Hsu, Y. K.; Swanson, T.; Mcintosh, R.

    1988-01-01

    Future large space based facilities, such as Space Station, will require energy management systems capable of transporting tens of kilowatts of heat over a hundred meters or more. This represents better than an order of magnitude improvement over current technology. Two-phase thermal systems are currently being developed to meet this challenge. Condensation heat transfer plays a very important role in this system. The present study attempts an analytic solution to the set of linearized partial differential equations. The axial velocity and temperature functions were found to be Bessel functions which have oscillatory behavior. This result agrees qualitatively with the experimental evidence from tests at both NASA Goddard Space Flight Center and elsewhere.

  15. 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

  16. Phase-equilibria for design of coal-gasification processes: dew points of hot gases containing condensible tars. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Prausnitz, J.M.

    1980-05-01

    This research is concerned with the fundamental physical chemistry and thermodynamics of condensation of tars (dew points) from the vapor phase at advanced temperatures and pressures. Fundamental quantitative understanding of dew points is important for rational design of heat exchangers to recover sensible heat from hot, tar-containing gases that are produced in coal gasification. This report includes essentially six contributions toward establishing the desired understanding: (1) Characterization of Coal Tars for Dew-Point Calculations; (2) Fugacity Coefficients for Dew-Point Calculations in Coal-Gasification Process Design; (3) Vapor Pressures of High-Molecular-Weight Hydrocarbons; (4) Estimation of Vapor Pressures of High-Boiling Fractions in Liquefied Fossil Fuels Containing Heteroatoms Nitrogen or Sulfur; and (5) Vapor Pressures of Heavy Liquid Hydrocarbons by a Group-Contribution Method.

  17. Non-invasive, kinetic measurements of [3H]nitrendipine binding to isolated rat myocytes by condensed phase radioluminescence

    International Nuclear Information System (INIS)

    Tscharner, V. von; Bailey, I.A.

    1983-01-01

    The binding of 3 H-labelled drug molecules to membranes of living cells give rise to photon emission from tryptophan residues at proteinaceous binding sites. This phenomenon, called condensed phase radioluminescence, has been used to measure non-invasively the kinetics of [ 3 H]nitrendipine binding and dissociation on the same samples of cultured beating cardiac myocytes. Signal arose only from bound drug molecules. Binding was monoexponential (tau = 5.5 min) as was dissociation (14.3 min). Preincubating cells with non-radioactive nifedipine reduced the amplitude and rate of [ 3 H]nitrendipine but not of [ 3 H]dihydroalprenolol binding. The potential uses of this phenomenon are discussed. (Auth.)

  18. 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.

  19. 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.

  20. PWR steam generator chemical cleaning. Phase II. Final report

    International Nuclear Information System (INIS)

    1980-01-01

    Two techniques believed capable of chemically dissolving the corrosion products in the annuli between tubes and support plates were developed in laboratory work in Phase I of this project and were pilot tested in Indian Point Unit No. 1 steam generators. In Phase II, one of the techniques was shown to be inadequate on an actual sample taken from an Indian Point Unit No. 2 steam generator. The other technique was modified slightly, and it was demonstrated that the tube/support plate annulus could be chemically cleaned effectively

  1. Physico-Chemical Properties of MgGa Mixed Oxides and Reconstructed Layered Double Hydroxides and Their Performance in Aldol Condensation of Furfural and Acetone

    Directory of Open Access Journals (Sweden)

    Oleg Kikhtyanin

    2018-05-01

    Full Text Available MgGa layered double hydroxides (Mg/Ga = 2–4 were synthesized and used for the preparation of MgGa mixed oxides and reconstructed hydrotalcites. The properties of the prepared materials were examined by physico-chemical methods (XRD, TGA, NH3-TPD, CO2-TPD, SEM, and DRIFT and tested in aldol condensation of furfural and acetone. The as-prepared phase-pure MgGa samples possessed hydrotalcite structure, and their calcination resulted in mixed oxides with MgO structure with a small admixture phase characterized by a reflection at 2θ ≈ 36.0°. The interaction of MgGa mixed oxides with pure water resulted in reconstruction of the HTC structure already after 15 s of the rehydration with maximum crystallinity achieved after 60 s. TGA-MS experiments proved a substantial decrease in carbonates in all rehydrated samples compared with their as-prepared counterparts. This allowed suggesting presence of interlayer hydroxyls in the samples. Acido-basic properties of MgGa mixed oxides determined by TPD technique did not correlate with Mg/Ga ratio which was explained by the specific distribution of Ga atoms on the external surface of the samples. CO2-TPD method was also used to evaluate the basic properties of the reconstructed MgGa samples. In these experiments, an intensive peak at T = 450°C on CO2-TPD curve was attributed to the decomposition of carbonates newly formed by CO2 interaction with interlayer carbonates rather than to CO2 desorption from basic sites. Accordingly, CO2-TPD method quantitatively characterized the interlayer hydroxyls only indirectly. Furfural conversion on reconstructed MgGa materials was much larger compared with MgGa mixed oxides confirming that Brønsted basic sites in MgGa catalysts, like MgAl catalysts, were active in the reaction. Mg/Ga ratio in mixed oxides influenced product selectivity which was explained by the difference in textural properties of the samples. In contrast, Mg/Ga ratio in reconstructed catalysts had

  2. Physico-Chemical Properties of MgGa Mixed Oxides and Reconstructed Layered Double Hydroxides and Their Performance in Aldol Condensation of Furfural and Acetone.

    Science.gov (United States)

    Kikhtyanin, Oleg; Čapek, Libor; Tišler, Zdeněk; Velvarská, Romana; Panasewicz, Adriana; Diblíková, Petra; Kubička, David

    2018-01-01

    MgGa layered double hydroxides (Mg/Ga = 2-4) were synthesized and used for the preparation of MgGa mixed oxides and reconstructed hydrotalcites. The properties of the prepared materials were examined by physico-chemical methods (XRD, TGA, NH 3 -TPD, CO 2 -TPD, SEM, and DRIFT) and tested in aldol condensation of furfural and acetone. The as-prepared phase-pure MgGa samples possessed hydrotalcite structure, and their calcination resulted in mixed oxides with MgO structure with a small admixture phase characterized by a reflection at 2θ ≈ 36.0°. The interaction of MgGa mixed oxides with pure water resulted in reconstruction of the HTC structure already after 15 s of the rehydration with maximum crystallinity achieved after 60 s. TGA-MS experiments proved a substantial decrease in carbonates in all rehydrated samples compared with their as-prepared counterparts. This allowed suggesting presence of interlayer hydroxyls in the samples. Acido-basic properties of MgGa mixed oxides determined by TPD technique did not correlate with Mg/Ga ratio which was explained by the specific distribution of Ga atoms on the external surface of the samples. CO 2 -TPD method was also used to evaluate the basic properties of the reconstructed MgGa samples. In these experiments, an intensive peak at T = 450°C on CO 2 -TPD curve was attributed to the decomposition of carbonates newly formed by CO 2 interaction with interlayer carbonates rather than to CO 2 desorption from basic sites. Accordingly, CO 2 -TPD method quantitatively characterized the interlayer hydroxyls only indirectly. Furfural conversion on reconstructed MgGa materials was much larger compared with MgGa mixed oxides confirming that Brønsted basic sites in MgGa catalysts, like MgAl catalysts, were active in the reaction. Mg/Ga ratio in mixed oxides influenced product selectivity which was explained by the difference in textural properties of the samples. In contrast, Mg/Ga ratio in reconstructed catalysts had practically

  3. Kinetics and mechanism of the condensation of pyridoxal hydrochloride with L-tryptophan and D-tryptophan, and the chemical transformation of their products

    Science.gov (United States)

    Pishchugin, F. V.; Tuleberdiev, I. T.

    2017-10-01

    The kinetics and mechanism of interaction between pyridoxal and L-tryptophan, D-tryptophan, and their derivatives are studied. It is found that condensation reactions proceed via three kinetically distinguishable stages: (1) the rapid intraplanar addition of the NH2 groups of the amino acids to pyridoxal with the formation of amino alcohols; (2) the rotational isomerism of amino alcohol fragments with their subsequent dehydration and the formation of a Schiff base with a specific configuration; (3) the abstraction of α-hydrogen in the product of condensation of pyridoxal with L-tryptophan, or the abstraction of CO2 in the product of condensation of pyridoxal with D-tryptophan with the formation of quinoid structures, hydrolysis of which results in the preparation of pyridoxamine and keto acid or pyridoxal and tryptamine, respectively. Schiff bases resistant to further chemical transformations are formed in the reaction with tryptophan methyl ester.

  4. Analysis of the test results for the two-phase critical flow with non-condensible gas

    International Nuclear Information System (INIS)

    Chang, S. K.; Chung, C. H.; Park, H. S.; Min, K. H.; Choi, N. H.; Kim, C. H.; Lee, S. H.; Kim, H. C.; Chang, M. H.

    2002-07-01

    The two-phase critical flow test was performed for simulating the pipe break accident of 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 N 2 gas flow rate. The test section is sharp edged pipe type which has the dimension of I.D.=20, L=300mm and I.D.=10.9, L=1000mm. The test conditions are 4, 7, 10 MPa at stagnation pressure, 0, 20, 50 .deg. C of subcooling degree and 0.028∼0.39 kg/s of N 2 injection gas flowrate. The measured data at test section and other components in terms of pressure, temperature and flowrate were collected in DAS computer with maintaining the steady state conditions at least 60 seconds. From the test results, the critical characteristics of the break pipe were analysed and verified the capacity of the test facility. For the verification of the Modified Henry-Fauske model which can predict the two-phase critical flow with non-condensible gas, the code simulation using MARS which contains the option of the Modified Henry -Fauske model was performed. The simulation results of steady-state two-phase critical flow experiments show that they agree with the measured critical flow rates within 6% root-mean-square error

  5. Microwave-assisted solid-phase Ugi four-component condensations

    DEFF Research Database (Denmark)

    Nielsen, John

    1999-01-01

    An 18-member library was constructed from 2 isocyanides, 3 aldehydes and 3 carboxylic acids via microwave-assisted solid-phase Ugi reactions on TentaGel S RAM. Products of high purity were obtained in moderate to excellent yields after reaction times of 5 minutes or less (irradiation at 60W). (C...

  6. Phase transitions at finite chemical potential in grand unified theories

    International Nuclear Information System (INIS)

    Bailin, D.; Love, A.

    1984-01-01

    We discuss the circumstances in which non-zero chemical potentials might prevent symmetry restoration in phase transitions in the early universe at grand unification or partial unification scales. The general arguments are illustrated by consideration of SO(10) and SU(5) grand unified theories. (orig.)

  7. Quantum control of the photoinduced Wolff rearrangement of diazonaphthoquinone in the condensed phase

    Energy Technology Data Exchange (ETDEWEB)

    Wolpert, Daniel; Gerber, Gustav; Brixner, Tobias [Physikalisches Institut, Universitaet Wuerzburg, Am Hubland, 97074 Wuerzburg (Germany); Schade, Marco; Langhojer, Florian [Institut fuer Physikalische Chemie, Universitaet Wuerzburg, Am Hubland, 97074 Wuerzburg (Germany)], E-mail: brixner@phys-chemie.uni-wuerzburg.de

    2008-04-14

    A shaped UV pump-MIR probe setup is employed for quantum control of the photoinduced Wolff rearrangement reaction of diazonaphthoquinone (DNQ) dissolved in methanol, yielding a ketene photoproduct. Time-resolved vibrational spectroscopy is a well-suited tool to monitor a photoreaction in the liquid phase as the narrow vibrational lines allow the observation of structural changes. Especially in the mid-infrared region, marker modes originating from different photoproducts can be identified unambiguously providing suitable feedback signals for open-loop or closed-loop control schemes. We report an experiment where the initiation of a complicated structural change of a molecule, involving bond cleavage and rearrangement, in the liquid phase can be controlled and mechanistic insight is obtained. Single-parameter scans show that the molecule is sensitive to intrapulse dumping during the excitation. Adaptive optimizations lead to pulse structures which can be understood consistently with this dumping mechanism.

  8. Dual-comb spectroscopy of molecular electronic transitions in condensed phases

    Science.gov (United States)

    Cho, Byungmoon; Yoon, Tai Hyun; Cho, Minhaeng

    2018-03-01

    Dual-comb spectroscopy (DCS) utilizes two phase-locked optical frequency combs to allow scanless acquisition of spectra using only a single point detector. Although recent DCS measurements demonstrate rapid acquisition of absolutely calibrated spectral lines with unprecedented precision and accuracy, complex phase-locking schemes and multiple coherent averaging present significant challenges for widespread adoption of DCS. Here, we demonstrate Global Positioning System (GPS) disciplined DCS of a molecular electronic transition in solution at around 800 nm, where the absorption spectrum is recovered by using a single time-domain interferogram. We anticipate that this simplified dual-comb technique with absolute time interval measurement and ultrabroad bandwidth will allow adoption of DCS to tackle molecular dynamics investigation through its implementation in time-resolved nonlinear spectroscopic studies and coherent multidimensional spectroscopy of coupled chromophore systems.

  9. 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.

  10. Chemically Induced Phase Transformation in Austenite by Focused Ion Beam

    Science.gov (United States)

    Basa, Adina; Thaulow, Christian; Barnoush, Afrooz

    2014-03-01

    A highly stable austenite phase in a super duplex stainless steel was subjected to a combination of different gallium ion doses at different acceleration voltages. It was shown that contrary to what is expected, an austenite to ferrite phase transformation occurred within the focused ion beam (FIB) milled regions. Chemical analysis of the FIB milled region proved that the gallium implantation preceded the FIB milling. High resolution electron backscatter diffraction analysis also showed that the phase transformation was not followed by the typical shear and plastic deformation expected from the martensitic transformation. On the basis of these observations, it was concluded that the change in the chemical composition of the austenite and the local increase in gallium, which is a ferrite stabilizer, results in the local selective transformation of austenite to ferrite.

  11. Predictions of wet natural gases condensation rates via multi-component and multi-phase simulation of supersonic separators

    International Nuclear Information System (INIS)

    Shooshtari, Seyed Heydar Rajaee; Shahsavand, Akbar

    2014-01-01

    Proper correction of water and heavy hydrocarbon dew points of sweet natural gases is essential from various technical and economical standpoints. Supersonic separators (3S) are proved to be capable of achieving these tasks with maximum reliability and minimal expenses. The majority of the previous articles have focused on the flow behavior of pure fluids across a 3S unit. Multicomponent fluid flow inside 3S accompanied with condensation phenomenon will drastically increase the complexity of the simulation process. We tackle this issue by considering a proper combination of fundamental governing equations and phase equilibrium calculations to predict various operating conditions and composition profiles across two multi-component and multi-phase 3S units. Various Iranian sweet gases are used as real case studies to demonstrate the importance of 3S unit practical applications. Simulation results clearly illustrate the effectiveness of 3S units for faithful dehydration of various natural gases, while successfully controlling its dew point, suitable for any practical applications. Conventional HYSYS simulation software is used to validate the simulation results

  12. Fixed-Charge Atomistic Force Fields for Molecular Dynamics Simulations in the Condensed Phase: An Overview.

    Science.gov (United States)

    Riniker, Sereina

    2018-03-26

    In molecular dynamics or Monte Carlo simulations, the interactions between the particles (atoms) in the system are described by a so-called force field. The empirical functional form of classical fixed-charge force fields dates back to 1969 and remains essentially unchanged. In a fixed-charge force field, the polarization is not modeled explicitly, i.e. the effective partial charges do not change depending on conformation and environment. This simplification allows, however, a dramatic reduction in computational cost compared to polarizable force fields and in particular quantum-chemical modeling. The past decades have shown that simulations employing carefully parametrized fixed-charge force fields can provide useful insights into biological and chemical questions. This overview focuses on the four major force-field families, i.e. AMBER, CHARMM, GROMOS, and OPLS, which are based on the same classical functional form and are continuously improved to the present day. The overview is aimed at readers entering the field of (bio)molecular simulations. More experienced users may find the comparison and historical development of the force-field families interesting.

  13. 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.

  14. Long-term cloud condensation nuclei number concentration, particle number size distribution and chemical composition measurements at regionally representative observatories

    Science.gov (United States)

    Schmale, Julia; Henning, Silvia; Decesari, Stefano; Henzing, Bas; Keskinen, Helmi; Sellegri, Karine; Ovadnevaite, Jurgita; Pöhlker, Mira L.; Brito, Joel; Bougiatioti, Aikaterini; Kristensson, Adam; Kalivitis, Nikos; Stavroulas, Iasonas; Carbone, Samara; Jefferson, Anne; Park, Minsu; Schlag, Patrick; Iwamoto, Yoko; Aalto, Pasi; Äijälä, Mikko; Bukowiecki, Nicolas; Ehn, Mikael; Frank, Göran; Fröhlich, Roman; Frumau, Arnoud; Herrmann, Erik; Herrmann, Hartmut; Holzinger, Rupert; Kos, Gerard; Kulmala, Markku; Mihalopoulos, Nikolaos; Nenes, Athanasios; O'Dowd, Colin; Petäjä, Tuukka; Picard, David; Pöhlker, Christopher; Pöschl, Ulrich; Poulain, Laurent; Prévôt, André Stephan Henry; Swietlicki, Erik; Andreae, Meinrat O.; Artaxo, Paulo; Wiedensohler, Alfred; Ogren, John; Matsuki, Atsushi; Yum, Seong Soo; Stratmann, Frank; Baltensperger, Urs; Gysel, Martin

    2018-02-01

    Aerosol-cloud interactions (ACI) constitute the single largest uncertainty in anthropogenic radiative forcing. To reduce the uncertainties and gain more confidence in the simulation of ACI, models need to be evaluated against observations, in particular against measurements of cloud condensation nuclei (CCN). Here we present a data set - ready to be used for model validation - of long-term observations of CCN number concentrations, particle number size distributions and chemical composition from 12 sites on 3 continents. Studied environments include coastal background, rural background, alpine sites, remote forests and an urban surrounding. Expectedly, CCN characteristics are highly variable across site categories. However, they also vary within them, most strongly in the coastal background group, where CCN number concentrations can vary by up to a factor of 30 within one season. In terms of particle activation behaviour, most continental stations exhibit very similar activation ratios (relative to particles > 20 nm) across the range of 0.1 to 1.0 % supersaturation. At the coastal sites the transition from particles being CCN inactive to becoming CCN active occurs over a wider range of the supersaturation spectrum. Several stations show strong seasonal cycles of CCN number concentrations and particle number size distributions, e.g. at Barrow (Arctic haze in spring), at the alpine stations (stronger influence of polluted boundary layer air masses in summer), the rain forest (wet and dry season) or Finokalia (wildfire influence in autumn). The rural background and urban sites exhibit relatively little variability throughout the year, while short-term variability can be high especially at the urban site. The average hygroscopicity parameter, κ, calculated from the chemical composition of submicron particles was highest at the coastal site of Mace Head (0.6) and lowest at the rain forest station ATTO (0.2-0.3). We performed closure studies based on κ-Köhler theory

  15. Sensitive and fast mutation detection by solid phase chemical cleavage

    DEFF Research Database (Denmark)

    Hansen, Lise Lotte; Justesen, Just; Kruse, Torben A

    1996-01-01

    We have developed a solid phase chemical cleavage method (SpCCM) for screening large DNA fragments for mutations. All reactions can be carried out in microtiterwells from the first amplification of the patient (or test) DNA through the search for mutations. The reaction time is significantly...... reduced compared to the conventional chemical cleavage method (CCM), and even by using a uniformly labelled probe, the exact position and nature of the mutation can be revealed. The SpCCM is suitable for automatization using a workstation to carry out the reactions and a fluorescent detection-based DNA...

  16. Quantum chemical approach for condensed-phase thermochemistry (IV): Solubility of gaseous molecules

    Science.gov (United States)

    Ishikawa, Atsushi; Kamata, Masahiro; Nakai, Hiromi

    2016-07-01

    The harmonic solvation model (HSM) was applied to the solvation of gaseous molecules and compared to a procedure based on the ideal gas model (IGM). Examination of 25 molecules showed that (i) the accuracy of ΔGsolv was similar for both methods, but the HSM shows advantages for calculating ΔHsolv and TΔSsolv; (ii) TΔSsolv contributes more than ΔHsolv to ΔGsolv in the HSM, i.e. the solvation of gaseous molecules is entropy-driven, which agrees well with experimental understanding (the IGM does not show this); (iii) the temperature dependence of Henry's law coefficient was correctly reproduced with the HSM.

  17. Extending atomistic scale chemistry to mesoscale model of condensed-phase deflagration

    Science.gov (United States)

    Joshi, Kaushik; Chaudhuri, Santanu

    2017-01-01

    Predictive simulations connecting chemistry that follow the shock or thermal initiation of energetic materials to subsequent deflagration or detonation events is currently outside the realm of possibilities. Molecular dynamics and first-principles based dynamics have made progress in understanding reactions in picosecond to nanosecond time scale. Results from thermal ignition of different phases of RDX show a complex reaction network and emergence of a deterministic behavior for critical temperature before ignition and hot spot growth rates. The kinetics observed is dependent on the hot spot temperature, system size and thermal conductivity. For cases where ignition is observed, the incubation period is dominated by intermolecular and intramolecular hydrogen transfer reactions. The gradual temperature and pressure increase in the incubation period is accompanied by accumulation of heavier polyradicals. The challenge of connecting such chemistry in mesoscale simulations remain in reducing the complexity of chemistry. The hot spot growth kinetics in RDX grains and interfaces is an important challenge for reactive simulations aiming to fill in the gaps in our knowledge in the nanoseconds to microseconds time scale. The results discussed indicate that the mesoscale chemistry may include large polyradical molecules in dense reactive mix reaching an instability point at certain temperatures and pressures.

  18. A re-assessment of the thermodynamic properties of iodine condensed phases

    International Nuclear Information System (INIS)

    Arblaster, J.W.

    2011-01-01

    Highlights: → In the low temperature region below 298.15 K all previous reviews included highly discrepant experimental data points which should have been rejected. In the present review these data points have been rejected leading to a smooth specific heat curve similar to that obtained for solid bromine. The current values, especially at 298.15 K therefore differ considerably from other reviews but it is suggested are more acceptable. → For temperatures above 298.15 K previous reviews carried out unnecessary corrections to the experimental enthalpy measurements and therefore arrived at distorted values for the thermodynamic properties and since these corrections differed from one review to the next then the situation existed where different sets of thermodynamic tables existed and there was no way to suggest which was the correct one. In the present review the experimental values have been used without correction for calibration and therefore again represent a superior set of tables. → Since iodine is solid at room temperature then the question arises as to whether or not to divide the thermodynamic tables in to low temperature values based on 0 K and high temperature values based on 298.15 K. In this paper the values are based on 0 K only to be consistent with the analogues chlorine and bromine. However if in the opinion of the referees the divide ought to be used in this can be achieved quite easily. - Abstract: Thermodynamic properties of iodine have been calculated to 500 K. Specific heat anomalies accepted for the solid phase in previous reviews have been eliminated and a smooth specific heat curve derived. Corrections previously applied to high temperature solid and liquid enthalpy measurements were shown to be unnecessary.

  19. Zero point energy leakage in condensed phase dynamics: An assessment of quantum simulation methods for liquid water

    Science.gov (United States)

    Habershon, Scott; Manolopoulos, David E.

    2009-12-01

    The approximate quantum mechanical ring polymer molecular dynamics (RPMD) and linearized semiclassical initial value representation (LSC-IVR) methods are compared and contrasted in a study of the dynamics of the flexible q-TIP4P/F water model at room temperature. For this water model, a RPMD simulation gives a diffusion coefficient that is only a few percent larger than the classical diffusion coefficient, whereas a LSC-IVR simulation gives a diffusion coefficient that is three times larger. We attribute this discrepancy to the unphysical leakage of initially quantized zero point energy (ZPE) from the intramolecular to the intermolecular modes of the liquid as the LSC-IVR simulation progresses. In spite of this problem, which is avoided by construction in RPMD, the LSC-IVR may still provide a useful approximation to certain short-time dynamical properties which are not so strongly affected by the ZPE leakage. We illustrate this with an application to the liquid water dipole absorption spectrum, for which the RPMD approximation breaks down at frequencies in the O-H stretching region owing to contamination from the internal modes of the ring polymer. The LSC-IVR does not suffer from this difficulty and it appears to provide quite a promising way to calculate condensed phase vibrational spectra.

  20. Zero point energy leakage in condensed phase dynamics: an assessment of quantum simulation methods for liquid water.

    Science.gov (United States)

    Habershon, Scott; Manolopoulos, David E

    2009-12-28

    The approximate quantum mechanical ring polymer molecular dynamics (RPMD) and linearized semiclassical initial value representation (LSC-IVR) methods are compared and contrasted in a study of the dynamics of the flexible q-TIP4P/F water model at room temperature. For this water model, a RPMD simulation gives a diffusion coefficient that is only a few percent larger than the classical diffusion coefficient, whereas a LSC-IVR simulation gives a diffusion coefficient that is three times larger. We attribute this discrepancy to the unphysical leakage of initially quantized zero point energy (ZPE) from the intramolecular to the intermolecular modes of the liquid as the LSC-IVR simulation progresses. In spite of this problem, which is avoided by construction in RPMD, the LSC-IVR may still provide a useful approximation to certain short-time dynamical properties which are not so strongly affected by the ZPE leakage. We illustrate this with an application to the liquid water dipole absorption spectrum, for which the RPMD approximation breaks down at frequencies in the O-H stretching region owing to contamination from the internal modes of the ring polymer. The LSC-IVR does not suffer from this difficulty and it appears to provide quite a promising way to calculate condensed phase vibrational spectra.

  1. Quantum-phase dynamics of two-component Bose-Einstein condensates: Collapse-revival of macroscopic superposition states

    International Nuclear Information System (INIS)

    Nakano, Masayoshi; Kishi, Ryohei; Ohta, Suguru; Takahashi, Hideaki; Furukawa, Shin-ichi; Yamaguchi, Kizashi

    2005-01-01

    We investigate the long-time dynamics of two-component dilute gas Bose-Einstein condensates with relatively different two-body interactions and Josephson couplings between the two components. Although in certain parameter regimes the quantum state of the system is known to evolve into macroscopic superposition, i.e., Schroedinger cat state, of two states with relative atom number differences between the two components, the Schroedinger cat state is also found to repeat the collapse and revival behavior in the long-time region. The dynamical behavior of the Pegg-Barnett phase difference between the two components is shown to be closely connected with the dynamics of the relative atom number difference for different parameters. The variation in the relative magnitude between the Josephson coupling and intra- and inter-component two-body interaction difference turns out to significantly change not only the size of the Schroedinger cat state but also its collapse-revival period, i.e., the lifetime of the Schroedinger cat state

  2. Condensed phase QM/MM simulations utilizing the exchange core functions to describe exchange repulsions at the QM boundary region

    International Nuclear Information System (INIS)

    Umino, Satoru; Takahashi, Hideaki; Morita, Akihiro

    2016-01-01

    In a recent work, we developed a method [H. Takahashi et al., J. Chem. Phys. 143, 084104 (2015)] referred to as exchange-core function (ECF) approach, to compute exchange repulsion E ex between solute and solvent in the framework of the quantum mechanical (QM)/molecular mechanical (MM) method. The ECF, represented with a Slater function, plays an essential role in determining E ex on the basis of the overlap model. In the work of Takahashi et al. [J. Chem. Phys. 143, 084104 (2015)], it was demonstrated that our approach is successful in computing the hydrogen bond energies of minimal QM/MM systems including a cationic QM solute. We provide in this paper the extension of the ECF approach to the free energy calculation in condensed phase QM/MM systems by combining the ECF and the QM/MM-ER approach [H. Takahashi et al., J. Chem. Phys. 121, 3989 (2004)]. By virtue of the theory of solutions in energy representation, the free energy contribution δμ ex from the exchange repulsion was naturally formulated. We found that the ECF approach in combination with QM/MM-ER gives a substantial improvement on the calculation of the hydration free energy of a hydronium ion. This can be attributed to the fact that the ECF reasonably realizes the contraction of the electron density of the cation due to the deficit of an electron.

  3. Condensed phase QM/MM simulations utilizing the exchange core functions to describe exchange repulsions at the QM boundary region

    Energy Technology Data Exchange (ETDEWEB)

    Umino, Satoru; Takahashi, Hideaki, E-mail: hideaki@m.tohoku.ac.jp; Morita, Akihiro [Department of Chemistry, Graduate School of Science, Tohoku University, Sendai, Miyagi 980-8578 (Japan)

    2016-08-28

    In a recent work, we developed a method [H. Takahashi et al., J. Chem. Phys. 143, 084104 (2015)] referred to as exchange-core function (ECF) approach, to compute exchange repulsion E{sub ex} between solute and solvent in the framework of the quantum mechanical (QM)/molecular mechanical (MM) method. The ECF, represented with a Slater function, plays an essential role in determining E{sub ex} on the basis of the overlap model. In the work of Takahashi et al. [J. Chem. Phys. 143, 084104 (2015)], it was demonstrated that our approach is successful in computing the hydrogen bond energies of minimal QM/MM systems including a cationic QM solute. We provide in this paper the extension of the ECF approach to the free energy calculation in condensed phase QM/MM systems by combining the ECF and the QM/MM-ER approach [H. Takahashi et al., J. Chem. Phys. 121, 3989 (2004)]. By virtue of the theory of solutions in energy representation, the free energy contribution δμ{sub ex} from the exchange repulsion was naturally formulated. We found that the ECF approach in combination with QM/MM-ER gives a substantial improvement on the calculation of the hydration free energy of a hydronium ion. This can be attributed to the fact that the ECF reasonably realizes the contraction of the electron density of the cation due to the deficit of an electron.

  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. 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

  6. Long-term cloud condensation nuclei number concentration, particle number size distribution and chemical composition measurements at regionally representative observatories

    Directory of Open Access Journals (Sweden)

    J. Schmale

    2018-02-01

    Full Text Available Aerosol–cloud interactions (ACI constitute the single largest uncertainty in anthropogenic radiative forcing. To reduce the uncertainties and gain more confidence in the simulation of ACI, models need to be evaluated against observations, in particular against measurements of cloud condensation nuclei (CCN. Here we present a data set – ready to be used for model validation – of long-term observations of CCN number concentrations, particle number size distributions and chemical composition from 12 sites on 3 continents. Studied environments include coastal background, rural background, alpine sites, remote forests and an urban surrounding. Expectedly, CCN characteristics are highly variable across site categories. However, they also vary within them, most strongly in the coastal background group, where CCN number concentrations can vary by up to a factor of 30 within one season. In terms of particle activation behaviour, most continental stations exhibit very similar activation ratios (relative to particles  > 20 nm across the range of 0.1 to 1.0 % supersaturation. At the coastal sites the transition from particles being CCN inactive to becoming CCN active occurs over a wider range of the supersaturation spectrum. Several stations show strong seasonal cycles of CCN number concentrations and particle number size distributions, e.g. at Barrow (Arctic haze in spring, at the alpine stations (stronger influence of polluted boundary layer air masses in summer, the rain forest (wet and dry season or Finokalia (wildfire influence in autumn. The rural background and urban sites exhibit relatively little variability throughout the year, while short-term variability can be high especially at the urban site. The average hygroscopicity parameter, κ, calculated from the chemical composition of submicron particles was highest at the coastal site of Mace Head (0.6 and lowest at the rain forest station ATTO (0.2–0.3. We performed closure

  7. Impact of chemical structure of flavanol monomers and condensed tannins on in vitro anthelmintic activity against bovine nematodes

    DEFF Research Database (Denmark)

    Desrues, Olivier; Fryganas, Christos; Ropiak, Honorata M.

    2016-01-01

    Plants containing condensed tannins (CT) may have potential to control gastrointestinal nematodes (GIN) of cattle. The aim was to investigate the anthelmintic activities of four flavan-3-ols, two galloyl derivatives and 14 purified CT fractions, and to define which structural features of CT deter...

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

    Energy Technology Data Exchange (ETDEWEB)

    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{approx}20mm pipe break dia., 7{approx}12MPa stagnation pressure, 0{approx}60 deg C subcooling degree and 0{approx}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{sup 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.

  9. 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

  10. 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

  11. PWR steam generator chemical cleaning, Phase I. Final report

    International Nuclear Information System (INIS)

    Rothstein, S.

    1978-07-01

    United Nuclear Industries (UNI) entered into a subcontract with Consolidated Edison Company of New York (Con Ed) on August 8, 1977, for the purpose of developing methods to chemically clean the secondary side tube to tube support crevices of the steam generators of Indian Point Nos. 1 and 2 PWR plants. This document represents the first reporting on activities performed for Phase I of this effort. Specifically, this report contains the results of a literature search performed by UNI for the purpose of determining state-of-the-art chemical solvents and methods for decontaminating nuclear reactor steam generators. The results of the search sought to accomplish two objectives: (1) identify solvents beyond those proposed at present by UNI and Con Ed for the test program, and (2) confirm the appropriateness of solvents and methods of decontamination currently in use by UNI

  12. Chemical phase analysis of seed mediated synthesized anisotropic silver nanoparticles

    International Nuclear Information System (INIS)

    Bharti, Amardeep; Goyal, Navdeep; Singh, Suman; Singla, M. L.

    2015-01-01

    Noble-metal nanoparticles are of great interest because of its broad applications almost in every stream (i.e. biology, chemistry and engineering) due to their unique size/shape dependant properties. In this paper, chemical phase of seed mediated synthesized anisotropic silver nanoparticle (AgNPs) has been investigated via fourier transform infrared spectroscopy (FTIR) and thermogravimetric analysis (TGA). These nanaoparticles were synthesized by seed-growth method controlled by urea and dextrose results to highly stable 12-20 nm particle size revealed by zeta potential and transmission electron microscopy (TEM)

  13. Effect of the Gouy phase on the coherent phase control of chemical reactions.

    Science.gov (United States)

    Gordon, Robert J; Barge, Vishal J

    2007-11-28

    We show how the spatial phase of a focused laser beam may be used as a tool for controlling the branching ratio of a chemical reaction. Guoy discovered [Acad. Sci., Paris, C. R. 110, 1250 (1890)] that when an electromagnetic wave passes through a focus its phase increases by pi. In a coherent control scheme involving the absorption of n photons of frequency omega(m) and m photons of frequency omega(n), the overall phase shift produced by the Gouy phase is (n-m)pi. At any given point in space, this phase shift is identical for all reaction products. Nevertheless, if the yields for different reaction channels have different intensity dependencies, the Gouy phase produces a net phase lag between the products that varies with the axial coordinate of the laser focus. We obtain here analytical and numerical values of this phase as the laser focus is scanned across the diameter of the molecular beam, taking into account the Rayleigh range and astigmatism of the laser beam and saturation of the transition. We also show that the modulation depth of the interference pattern may be increased by optimizing the relative intensities of the two fields.

  14. Boilers, evaporators, and condensers

    International Nuclear Information System (INIS)

    Kakac, S.

    1991-01-01

    This book reports on the boilers, evaporators and condensers that are used in power plants including nuclear power plants. Topics included are forced convection for single-phase side heat exchangers, heat exchanger fouling, industrial heat exchanger design, fossil-fuel-fired boilers, once through boilers, thermodynamic designs of fossil fuel-first boilers, evaporators and condensers in refrigeration and air conditioning systems (with respect to reducing CFC's) and nuclear steam generators

  15. Methods of chemical and phase composition analysis of gallstones

    Science.gov (United States)

    Suvorova, E. I.; Pantushev, V. V.; Voloshin, A. E.

    2017-11-01

    This review presents the instrumental methods used for chemical and phase composition investigation of gallstones. A great body of data has been collected in the literature on the presence of elements and their concentrations, obtained by fluorescence microscopy, X-ray fluorescence spectroscopy, neutron activation analysis, proton (particle) induced X-ray emission, atomic absorption spectroscopy, high-resolution gamma-ray spectrometry, electron paramagnetic resonance. Structural methods—powder X-ray diffraction, infrared spectroscopy, Raman spectroscopy—provide information about organic and inorganic phases in gallstones. Stone morphology was studied at the macrolevel with optical microscopy. Results obtained by analytical scanning and transmission electron microscopy with X-ray energy dispersive spectrometry are discussed. The chemical composition and structure of gallstones determine the strategy of removing stone from the body and treatment of patients: surgery or dissolution in the body. Therefore one chapter of the review describes the potential of dissolution methods. Early diagnosis and appropriate treatment of the disease depend on the development of clinical methods for in vivo investigation, which gave grounds to present the main characteristics and potential of ultrasonography (ultrasound scanning), magnetic resonance imaging, and X-ray computed tomography.

  16. 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...

  17. Heterogeneous oxidation of saturated organic aerosols by hydroxyl radicals: uptake kinetics, condensed-phase products, and particle size change

    Directory of Open Access Journals (Sweden)

    I. J. George

    2007-08-01

    Full Text Available The kinetics and reaction mechanism for the heterogeneous oxidation of saturated organic aerosols by gas-phase OH radicals were investigated under NOx-free conditions. The reaction of 150 nm diameter Bis(2-ethylhexyl sebacate (BES particles with OH was studied as a proxy for chemical aging of atmospheric aerosols containing saturated organic matter. An aerosol reactor flow tube combined with an Aerodyne time-of-flight aerosol mass spectrometer (ToF-AMS and scanning mobility particle sizer (SMPS was used to study this system. Hydroxyl radicals were produced by 254 nm photolysis of O3 in the presence of water vapour. The kinetics of the heterogeneous oxidation of the BES particles was studied by monitoring the loss of a mass fragment of BES with the ToF-AMS as a function of OH exposure. We measured an initial OH uptake coefficient of γ0=1.3 (±0.4, confirming that this reaction is highly efficient. The density of BES particles increased by up to 20% of the original BES particle density at the highest OH exposure studied, consistent with the particle becoming more oxidized. Electrospray ionization mass spectrometry analysis showed that the major particle-phase reaction products are multifunctional carbonyls and alcohols with higher molecular weights than the starting material. Volatilization of oxidation products accounted for a maximum of 17% decrease of the particle volume at the highest OH exposure studied. Tropospheric organic aerosols will become more oxidized from heterogeneous photochemical oxidation, which may affect not only their physical and chemical properties, but also their hygroscopicity and cloud nucleation activity.

  18. Spectroscopic and theoretical study of the "azo"-dye E124 in condensate phase: evidence of a dominant hydrazo form.

    Science.gov (United States)

    Almeida, Mariana R; Stephani, Rodrigo; Dos Santos, Hélio F; de Oliveira, Luiz Fernando C

    2010-01-14

    Spectroscopic techniques, including Raman, IR, UV/vis, and NMR were used to characterize the samples of the azo dye Ponceau 4R (also known as E124, New Coccine; Cochineal Red; C.I. no. 16255; Food Red No. 102), which is 1,3-naphthalenedisulfonic acid, 7-hydroxy-8-[(4-sulfo-1-naphthalenyl) azo] trisodium salt in aqueous solution and solid state. In addition, first principle calculations were carried out for the azo (OH) and hydrazo (NH) tautomers in order to assist in the assignment of the experimental data. The two intense bands observed in the UV/vis spectrum, centered at 332 and 507 nm, can be compared to the calculated values at 296 and 474 nm for azo and 315 and 500 nm for hydrazo isomer, with the latter in closer agreement to the experiment. The Raman spectrum is quite sensitive to tautomeric equilibrium; in solid state and aqueous solution, three bands were observed around 1574, 1515, and 1364 cm(-1), assigned to mixed modes including deltaNH + betaCH + nuCC, deltaNH + nuC horizontal lineO + nuC horizontal lineN + betaCH and nuCC vibrations, respectively. These assignments are predicted only for the NH species centered at 1606, 1554, and 1375 cm(-1). The calculated Raman spectrum for the azo (OH) tautomer showed two strong bands at 1468 (nuN = N + deltaOH) and 1324 cm(-1) (nuCC + nuC-N), which were not obtained experimentally. The (13)C NMR spectrum showed a very characteristic peak at 192 ppm assigned to the carbon bound to oxygen in the naphthol ring; the predicted values were 165 ppm for OH and 187 for NH isomer, supporting once again the predominance of NH species in solution. Therefore, all of the experimental and theoretical results strongly suggest the food dye Ponceau 4R or E124 has a major contribution of the hydrazo structure instead of the azo form as the most abundant in condensate phase.

  19. 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.

  20. Thermochemistry of methoxythiophenes: Measurement of their enthalpies of vaporization and estimation of their enthalpies of formation in the condensed phase

    International Nuclear Information System (INIS)

    Temprado, Manuel; Notario, Rafael; Roux, María Victoria; Verevkin, Sergey P.

    2014-01-01

    Highlights: • The enthalpies of vaporization of 2- and 3-methoxythiophenes have been measured by the transpiration method. • We have estimated the enthalpies of formation of methoxythiophenes in liquid phase. • The optimized geometries of methoxythiophenes have been tabulated and compared with the experimental crystal structures. - Abstract: Enthalpies of vaporization of 2- and 3-methoxythiophenes (48.32 ± 0.30 and 48.54 ± 0.22 kJ · mol −1 , respectively) have been measured by the transpiration method using nitrogen as the carrying and protecting stream. Combustion experiments leading to enthalpies of formation in the liquid phase, Δ f H 0 m (l), for both isomers failed due to rapid darkening of freshly distilled samples even under a protecting atmosphere. However, combination of experimental vaporization enthalpies with values of the gaseous enthalpies of formation, Δ f H 0 m (g), obtained by quantum-chemical calculations from our previous work Notario et al. (2012) [24] permits establishing estimated Δ f H 0 m (l) values of −(68.3 ± 4.2) and −(80.1 ± 4.2) kJ · mol −1 , for 2- and 3-methoxythiophene, respectively

  1. 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

  2. Impact of chemical structure of flavanol monomers and condensed tannins on in vitro anthelmintic activity against bovine nematodes

    DEFF Research Database (Denmark)

    Desrues, Olivier; Fryganas, Christos; Ropiak, Honorata M.

    2016-01-01

    Plants containing condensed tannins (CT) may have potential to control gastrointestinal nematodes (GIN) of cattle. The aim was to investigate the anthelmintic activities of four flavan-3-ols, two galloyl derivatives and 14 purified CT fractions, and to define which structural features of CT...... susceptible to all CT fractions than C. oncophora L1. The mean degree of polymerization of CT (i.e. average size) was the most important structural parameter: large CT reduced larval feeding more than small CT. The flavan-3-ols of prodelphinidin (PD)-type tannins had a stronger negative influence on parasite...

  3. Ultrarapid mutation detection by multiplex, solid-phase chemical cleavage

    Energy Technology Data Exchange (ETDEWEB)

    Rowley, G.; Saad, S.; Giannelli, F.; Green, P.M. [Guy`s & St. Thomas`s Hospitals, London (United Kingdom)

    1995-12-10

    The chemical cleavage of mismatches in heteroduplexes formed by probe and test DNA detects and locates any sequence change in long DNA segments ({approximately}1.8 kb), and its efficiency has been well tested in the analysis of both average (e.g., coagulation factor IX) and large, complex genes (e.g., coagulation factor VIII and dystrophin). In the latter application RT/PCR products allow the examination of all essential sequences of the gene in a minimum number of reactions. We use two specific chemical reactants (hydroxylamine and osmium tetroxide) and piperidine cleavage of the above procedure to develop a very fast mutation screening method. This is based on: (1) 5{prime} or internal fluorescent labeling to allow concurrent screening of three to four DNA fragments and (2) solid-phase chemistry to use a microliter format and reduce the time required for the procedure, from amplification of sequence to gel loading inclusive, to one person-working-day. We test the two variations of the method, one entailing 5{prime} labeling of probe DNA and the other uniform labeling of both probe and target DNA, by detecting 114 known hemophilia B (coagulation factor IX) mutations and by analyzing 129 new patients. Uniform labeling of both probe and target DNA prior to formation of the heteroduplexes leads to almost twofold redundancy in the ability to detect mutations. Alternatively, the latter procedure may offer very efficient though less than 100% screening for sequence changes with only hydroxylamine. The full method with two chemical reactions (hydroxylamine and osmium tetroxide) should allow one person to screen with virtually 100% accuracy more than 300 kb of sequence in three ABI 373 gels in 1 day. 26 refs., 7 figs., 1 tab.

  4. 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.)

  5. A study on the performance of condensation heat transfer for various working fluid of two-phase closed thermosyphons with various helical grooves

    International Nuclear Information System (INIS)

    Han, Kyu Il; Cho, Dong Hyun

    2005-01-01

    This study concerns the performance of condensing heat transfer in two-phase closed thermosyphons with various helical grooves. Distilled water, methanol, ethanol have been used as the working fluid. In the present work, a copper tube of the length of 1200mm and 14.28mm of inside diameter is used as the container of the thermosyphon. Each of the evaporator and the condenser section has a length of 550mm, while the remaining part of the thermosyphon tube is adiabatic section. A experimental study was carried out for analyzing the performances of having 50, 60, 70, 80, 90 helical grooves. A plain thermosyphon having the same inner and outer diameter as the grooved thermosyphons is also tested for the comparison. The type of working fluid and the numbers of grooves of the thermosyphons with various helical grooves have been used as the experimental parameters. The experimental results have been assessed and compared with existing theories. The results show that the type of working fluids are very important factors for the operation of thermosyphons. And the maximum enhancement (i.e. the ratio of the heat transfer coefficients the helical thermosyphons to plain thermosyphons) is 1.5∼2 for condensation

  6. Orthogonality Catastrophe as a prerequisite for the irreversible decay of the global relative phase of a two-component Bose-Einstein condensate

    Science.gov (United States)

    Birman, Joseph L.; Kuklov, A. B.

    2001-05-01

    The concept of the orthogonality catastrophe (OC), which has been introduced previously for one component condensate ( A.B. Kuklov, J.L. Birman, PRA 63), 013609 (2001), is applied to the two-component condensate. The evolution of the global relative phase, which is created by the rf-pulse, is studied under the condition of no exchange of bosons between the components after the pulse. It is shown that the normal component does not induce the OC. Instead, it produces a reversible thermal dephasing, which competes with the quantum phase diffusion (QPD) effect (E.M.Wright, et al, PRL 77), 2158(1996). The thermal dephasing results from the thermal ensemble averaging, and the corresponding dephasing rate is controlled by the two-body interaction and temperature as well as by the closeness to the intrinsic su(2) symmetry, so that no dephasing exists in the case of the exact symmetry (A.B. Kuklov, J.L. Birman, PRL 85), 5488 (2000). The reversible nature of the thermal dephasing as well as of the QPD can be revealed in the atomic echo effect. The role of external noise in erasing the phase memory is discussed as well.

  7. Experimental facility with two-phase flow and with high concentration of non-condensable gases for research and development of emergency cooling system of advanced nuclear reactors

    International Nuclear Information System (INIS)

    Macedo, Luiz Alberto; Baptista Filho, Benedito Dias

    2006-01-01

    The development of emergency cooling passive systems of advanced nuclear reactors requires the research of some relative processes to natural circulation, in two-phase flow conditions involving condensation processes in the presence of non-condensable gases. This work describes the main characteristics of the experimental facility called Bancada de Circulacao Natural (BCN), designed for natural circulation experiments in a system with a hot source, electric heater, a cold source, heat exchanger, operating with two-phase flow and with high concentration of noncondensable gas, air. The operational tests, the data acquisition system and the first experimental results in natural circulation are presented. The experiments are transitory in natural circulation considering power steps. The distribution of temperatures and the behavior of the flow and of the pressure are analyzed. The experimental facility, the instrumentation and the data acquisition system demonstrated to be adapted for the purposes of research of emergency cooling passive systems, operating with two-phase flow and with high concentration of noncondensable gases. (author)

  8. Layer-by-layer fabrication of chemical-bonded graphene coating for solid-phase microextraction.

    Science.gov (United States)

    Zhang, Suling; Du, Zhuo; Li, Gongke

    2011-10-01

    A new fabrication strategy of the graphene-coated solid-phase microextraction (SPME) fiber is developed. Graphite oxide was first used as starting coating material that covalently bonded to the fused-silica substrate using 3-aminopropyltriethoxysilane (APTES) as cross-linking agent and subsequently deoxidized by hydrazine to give the graphene coating in situ. The chemical bonding between graphene and the silica fiber improve its chemical stability, and the obtained fiber was stable enough for more than 150 replicate extraction cycles. The graphene coating was wrinkled and folded, like the morphology of the rough tree bark. Its performance is tested by headspace (HS) SPME of polycyclic aromatic hydrocarbons (PAHs) followed by GC/MS analysis. The results showed that the graphene-coated fiber exhibited higher enrichment factors (EFs) from 2-fold for naphthalene to 17-fold for B(b)FL as compared to the commercial polydimethylsioxane (PDMS) fiber, and the EFs increased with the number of condensed rings of PAHs. The strong adsorption affinity was believed to be mostly due to the dominant role of π-π stacking interaction and hydrophobic effect, according to the results of selectivity study for a variety of organic compounds including PAHs, the aromatic compounds with different substituent groups, and some aliphatic hydrocarbons. For PAHs analysis, the graphene-coated fiber showed good precision (<11%), low detection limits (1.52-2.72 ng/L), and wide linearity (5-500 ng/L) under the optimized conditions. The repeatability of fiber-to-fiber was 4.0-10.8%. The method was applied to simultaneous analysis of eight PAHs with satisfactory recoveries, which were 84-102% for water samples and 72-95% for soil samples, respectively.

  9. 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.

  10. 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...... where the spin degrees of freedom are slaved by the translational degrees of freedom and develop a first-order singularity in the order-disorder transition that accompanies the lattice-melting transition. The internal degeneracy of the spin states in model III implies that the spin order...

  11. 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.

  12. Atomistic modeling of dropwise condensation

    Energy Technology Data Exchange (ETDEWEB)

    Sikarwar, B. S., E-mail: bssikarwar@amity.edu; Singh, P. L. [Department of Mechanical Engineering, Amity University Uttar Pradesh, Noida (India); Muralidhar, K.; Khandekar, S. [Department of Mechanical Engineering, IIT Kanpur (India)

    2016-05-23

    The basic aim of the atomistic modeling of condensation of water is to determine the size of the stable cluster and connect phenomena occurring at atomic scale to the macroscale. In this paper, a population balance model is described in terms of the rate equations to obtain the number density distribution of the resulting clusters. The residence time is taken to be large enough so that sufficient time is available for all the adatoms existing in vapor-phase to loose their latent heat and get condensed. The simulation assumes clusters of a given size to be formed from clusters of smaller sizes, but not by the disintegration of the larger clusters. The largest stable cluster size in the number density distribution is taken to be representative of the minimum drop radius formed in a dropwise condensation process. A numerical confirmation of this result against predictions based on a thermodynamic model has been obtained. Results show that the number density distribution is sensitive to the surface diffusion coefficient and the rate of vapor flux impinging on the substrate. The minimum drop radius increases with the diffusion coefficient and the impinging vapor flux; however, the dependence is weak. The minimum drop radius predicted from thermodynamic considerations matches the prediction of the cluster model, though the former does not take into account the effect of the surface properties on the nucleation phenomena. For a chemically passive surface, the diffusion coefficient and the residence time are dependent on the surface texture via the coefficient of friction. Thus, physical texturing provides a means of changing, within limits, the minimum drop radius. The study reveals that surface texturing at the scale of the minimum drop radius does not provide controllability of the macro-scale dropwise condensation at large timescales when a dynamic steady-state is reached.

  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. Boiling, condensation, and gas-liquid flow

    International Nuclear Information System (INIS)

    Whalley, P.B.

    1987-01-01

    Heat transfer phenomena involving boiling and condensation are an important aspect of engineering in the power and process industries. This book, aimed at advanced first-degree and graduate students in mechanical and chemical engineering, deals with these phenomena in detail. The first part of the book describes gas-liquid two-phase flow, as a necessary preliminary to the later discussion of heat transfer and change of phase. A detailed section on calculation methods shows how theory can be put to practical use, and there are also descriptions of some of the equipment and plant used in the process and power industries

  15. SLAC synchronous condenser

    International Nuclear Information System (INIS)

    Corvin, C.

    1995-06-01

    A synchronous condenser is a synchronous machine that generates reactive power that leads real power by 90 degrees in phase. The leading reactive power generated by the condenser offsets or cancels the normal lagging reactive power consumed by inductive and nonlinear loads at the accelerator complex. The quality of SLAC's utility power is improved with the addition of the condenser. The inertia of the condenser's 35,000 pound rotor damps and smoothes voltage excursions on two 12 kilovolt master substation buses, improving voltage regulation site wide. The condenser absorbs high frequency transients and noise in effect ''scrubbing'' the electric system power at its primary distribution source. In addition, the condenser produces a substantial savings in power costs. Federal and investor owned utilities that supply electric power to SLAC levy a monthly penalty for lagging reactive power delivered to the site. For the 1993 fiscal year this totaled over $285,000 in added costs for the year. By generating leading reactive power on site, thereby reducing total lagging reactive power requirements, a substantial savings in electric utility bills is achieved. Actual savings of $150,000 or more a year are possible depending on experimental operations

  16. 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.)

  17. Chemically modified cellulose paper as a thin film microextraction phase.

    Science.gov (United States)

    Saraji, Mohammad; Farajmand, Bahman

    2013-11-01

    In this paper, chemically modified cellulose paper was introduced as a novel extracting phase for thin film microextraction (TFME). Different reagents (Octadecyltrichlorosilane, diphenyldichlorosilane, cyclohexyl isocyanate and phenyl isocyanate) were used to modify the cellulose papers. The modified papers were evaluated as a sorbent for the extraction of some synthetic and natural estrogenic hormones (17α-ethynylestradiol, estriol and estradiol) from aqueous samples. Liquid chromatography-fluorescence detection was used for the quantification of the extracted compounds. The cellulose paper modified with phenyl isocyanate showed the best affinity to the target compounds. TEME parameters such as desorption condition, shaking rate, sample ionic strength and extraction time were investigated and optimized. Limit of detections were between 0.05 and 0.23μgL(-1) and relative standard deviations were less than 11.1% under the optimized condition. The calibration curves were obtained in the range of 0.2-100μgL(-1) with a good linearity (r(2)>0.9935). Wastewater, human urine, pool and river water samples were studied as real samples for the evaluation of the method. Relative recoveries were found to be between 75% and 101%. Copyright © 2013 Elsevier B.V. All rights reserved.

  18. Diquark condensate and quark interaction with instanton liquid

    International Nuclear Information System (INIS)

    Zinov'ev, G.M.; Molodtsov, S.V.

    2003-01-01

    The interaction of light quarks and instanton liquid is analyzed at finite density of quark/baryon matter and in the phase of nonzero values of diquark (color) condensate. It is shown that instanton liquid perturbation produced by such an interaction results in an essential increase of the critical value of quark chemical potential μ c which provokes the perceptible increase of quark matter density around the expected onset of the color superconductivity phase [ru

  19. Impact of chemical structure of flavanol monomers and condensed tannins on in vitro anthelmintic activity against bovine nematodes.

    Science.gov (United States)

    Desrues, Olivier; Fryganas, Christos; Ropiak, Honorata M; Mueller-Harvey, Irene; Enemark, Heidi L; Thamsborg, Stig M

    2016-04-01

    Plants containing condensed tannins (CT) may have potential to control gastrointestinal nematodes (GIN) of cattle. The aim was to investigate the anthelmintic activities of four flavan-3-ols, two galloyl derivatives and 14 purified CT fractions, and to define which structural features of CT determine the anti-parasitic effects against the main cattle nematodes. We used in vitro tests targeting L1 larvae (feeding inhibition assay) and adults (motility assay) of Ostertagia ostertagi and Cooperia oncophora. In the larval feeding inhibition assay, O. ostertagi L1 were significantly more susceptible to all CT fractions than C. oncophora L1. The mean degree of polymerization of CT (i.e. average size) was the most important structural parameter: large CT reduced larval feeding more than small CT. The flavan-3-ols of prodelphinidin (PD)-type tannins had a stronger negative influence on parasite activity than the stereochemistry, i.e. cis- vs trans-configurations, or the presence of a gallate group. In contrast, for C. oncophora high reductions in the motility of larvae and adult worms were strongly related with a higher percentage of PDs within the CT fractions while there was no effect of size. Overall, the size and the percentage of PDs within CT seemed to be the most important parameters that influence anti-parasitic activity.

  20. 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)

  1. 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

  2. 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.

  3. 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.

  4. Differences in the Chemical Composition of the Particulate Phase of Inhaled and Exhaled Cigarette Mainstream Smoke

    Directory of Open Access Journals (Sweden)

    Moldoveanu SC

    2014-12-01

    Full Text Available In this study, a comparison between the chemical composition of the particulate-phase of exhaled smoke and that of smoke generated with a smoking machine has been performed. For this purpose, eight human subjects smoked a common Lights (10.6 mg ‘tar’/cig commercial cigarette and the exhaled particulate-phase smoke from three cigarettes was collected on Cambridge pads for each smoker. The smoke collection from the human subjects was vacuum assisted. The cigarette butts from the smokers were collected and analyzed for nicotine. The machine smoking was performed with a Borgwaldt RM20 CSR smoking machine working under conditions recommended by the U.S. Federal Trade Commission (FTC. The nicotine levels for the cigarette butts from the smokers were used to normalize the level of exhaled smoke condensate to that of the FTC smoking conditions. The smoke condensates from exhaled smoke as well as that from the machine smoking were analyzed by a gas chromatographic technique with mass spectral peak identification. The retention efficiency for 160 compounds was calculated from the ratio of the compound peak areas in the exhaled smoke (normalized by the corresponding butt nicotine level vs. the areas of the corresponding peaks from the chromatogram of the smoke generated by the smoking machine. In the calculation of the results, it was assumed that the composition of mainstream smoke remains practically constant at different smoking regimes. All compounds found in the machine-generated smoke were also present in the exhaled smoke, but at different levels. About one third of the compounds were retained more than 66% by the smoker. Another third of the compounds were retained between 33% and 66%, and the rest of the compounds were retained very little from the mainstream particulate-phase of the cigarette smoke. The compounds retained more than 66% were in general compounds with lower molecular weight and with higher water solubility, which eluted first

  5. Isolation of condensed tannins in individual size from grape seeds and their impact on astringency perception

    OpenAIRE

    Ma, Wen; Waffo-Téguo, Pierre; Jourdes, Michael; Li, Hua; Teissedre, Pierre Louis

    2016-01-01

    Astringency perception, as an essential parameter for high-quality red wine, is principally elicited by condensed tannins in diversified chemical structures. The influence of DP size of condensed tannins on astringency perception remains unclear for decades. In the present study, the astringency intensity of purified and identified grape oligomeric tannins (DP ranged from 1 to 5) was firstly explored. A novel non-solid phase strategy was used to rapidly exclude the galloylated PAs from the no...

  6. Polariton condensates

    International Nuclear Information System (INIS)

    Snoke, David; Littlewood, Peter

    2010-01-01

    Most students of physics know about the special properties of Bose-Einstein condensates (BECs) as demonstrated in the two best-known examples: superfluid helium-4, first reported in 1938, and condensates of trapped atomic gases, first observed in 1995. (See the article by Wolfgang Ketterle in PHYSICS TODAY, December 1999, page 30.) Many also know that superfluid 3 He and superconducting metals contain BECs of fermion pairs. An underlying principle of all those condensed-matter systems, known as quantum fluids, is that an even number of fermions with half-integer spin can be combined to make a composite boson with integer spin. Such composite bosons, like all bosons, have the property that below some critical temperature--roughly the temperature at which the thermal de Broglie wavelength becomes comparable to the distance between the bosons--the total free energy is minimized by having a macroscopic number of bosons enter a single quantum state and form a macroscopic, coherent matter wave. Remarkably, the effect of interparticle repulsion is to lead to quantum mechanical exchange interactions that make that state robust, since the exchange interactions add coherently.

  7. Fumigant Management Plan Templates - Phase 2 Files Listed by Chemical

    Science.gov (United States)

    FMP templates are in PDF and Word formats for each type of soil fumigant pesticide, with samples of filled out plans. Types are by active ingredient chemical: Chloropicrin, dazomet, dimethyl disulfide, metam sodium/potassium, and methyl bromide.

  8. Operational High Resolution Chemical Kinetics Simulation, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — Numerical simulations of chemical kinetics are critical to addressing urgent issues in both the developed and developing world. Ongoing demand for higher resolution...

  9. Applications of New Chemical Heat Sources Phase 1

    National Research Council Canada - National Science Library

    Bell, William

    2001-01-01

    Report developed under Small Business Innovative Research (SBIR) contract. This project has examined the application of new chemical heat sources, with emphasis on portable heaters for military field rations...

  10. Design of multi-phase dynamic chemical networks

    Science.gov (United States)

    Chen, Chenrui; Tan, Junjun; Hsieh, Ming-Chien; Pan, Ting; Goodwin, Jay T.; Mehta, Anil K.; Grover, Martha A.; Lynn, David G.

    2017-08-01

    Template-directed polymerization reactions enable the accurate storage and processing of nature's biopolymer information. This mutualistic relationship of nucleic acids and proteins, a network known as life's central dogma, is now marvellously complex, and the progressive steps necessary for creating the initial sequence and chain-length-specific polymer templates are lost to time. Here we design and construct dynamic polymerization networks that exploit metastable prion cross-β phases. Mixed-phase environments have been used for constructing synthetic polymers, but these dynamic phases emerge naturally from the growing peptide oligomers and create environments suitable both to nucleate assembly and select for ordered templates. The resulting templates direct the amplification of a phase containing only chain-length-specific peptide-like oligomers. Such multi-phase biopolymer dynamics reveal pathways for the emergence, self-selection and amplification of chain-length- and possibly sequence-specific biopolymers.

  11. 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.

  12. Deuterium isotope effects in condensed-phase thermochemical decomposition reactions of octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine

    International Nuclear Information System (INIS)

    Shackelford, S.A.; Coolidge, M.B.; Goshgarian, B.B.; Loving, B.A.; Rogers, R.N.; Janney, J.L.; Ebinger, M.H.

    1985-01-01

    The deuterium isotope effect was applied to condensed-phase thermochemical reactions of HMX and HMX-d 8 by using isothermal techniques. Dissimilar deuterium isotope effects revealed a mechanistic dependence of HMX upon different physical states which may singularly predominate in a specific type of thermal event. Solid-state HMX thermochemical decomposition produces a primary deuterium isotope effect (DIE), indicating that covalent C-H bond rupture is the rate-controlling step in this phase. An apparent inverse DIE is displayed by the mixed melt phase and can be attributed to C-H bond contraction during a weakening of molecular lattice forces as the solid HMX liquefies. The liquid-state decomposition rate appears to be controlled by ring C-N bond cleavage as evidenced by a secondary DIE and higher molecular weight products. These results reveal a dependence of the HMX decomposition process on physical state and lead to a broader mechanistic interpretation which explains the seemingly contradictory data found in current literature reviews. 33 references, 9 figures, 5 tables

  13. The geometric phase in quantum systems foundations, mathematical concepts, and applications in molecular and condensed matter physics

    CERN Document Server

    Böhm, Arno; Koizumi, Hiroyasu; Niu, Qian; Zwanziger, Joseph

    2003-01-01

    Aimed at graduate physics and chemistry students, this is the first comprehensive monograph covering the concept of the geometric phase in quantum physics from its mathematical foundations to its physical applications and experimental manifestations It contains all the premises of the adiabatic Berry phase as well as the exact Anandan-Aharonov phase It discusses quantum systems in a classical time-independent environment (time dependent Hamiltonians) and quantum systems in a changing environment (gauge theory of molecular physics) The mathematical methods used are a combination of differential geometry and the theory of linear operators in Hilbert Space As a result, the monograph demonstrates how non-trivial gauge theories naturally arise and how the consequences can be experimentally observed Readers benefit by gaining a deep understanding of the long-ignored gauge theoretic effects of quantum mechanics and how to measure them

  14. 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.

  15. 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....

  16. Classification of phase transitions of finite Bose-Einstein condensates in power law traps by Fisher zeros

    NARCIS (Netherlands)

    Mülken, O.; Borrmann, P.; Harting, J.D.R.; Stamerjohanns, H.

    2001-01-01

    We present a detailed description of a classification scheme for phase transitions in finite systems based on the distribution of Fisher zeros of the canonical partition function in the complex temperature plane. We apply this scheme to finite Bose systems in power-law traps within a semi-analytic

  17. Condensed elementary particle matter

    International Nuclear Information System (INIS)

    Kajantie, K.

    1996-01-01

    Quark matter is a special case of condensed elementary particle matter, matter governed by the laws of particle physics. The talk discusses how far one can get in the study of particle matter by reducing the problem to computations based on the action. As an example the computation of the phase diagram of electroweak matter is presented. It is quite possible that ultimately an antireductionist attitude will prevail: experiments will reveal unpredicted phenomena not obviously reducible to the study of the action. (orig.)

  18. 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.

  19. Advanced chemical analysis service for elements, radionuclides and phases

    International Nuclear Information System (INIS)

    Sansoni, B.

    1986-01-01

    A review is given on the structure, organisation and performance of the chemical analysis service of the Central Department for Chemical Analysis at the Kernforschungsanlage Juelich GmbH. The research and development programs together with the infrastructure of the Centre afford to analyse almost all stable elements of the periodical table in almost any material. The corresponding chemical analysis service has been organized according to a new modular system of analytical steps. According to this, the most complicated and, therefore, most general case of an analytical scheme for element and radionuclide analysis in any type of material can be differentiated into about 14 different steps, the modules. They are more or less independent of the special problem. The laboratory is designed and organized according to these steps. (orig./PW) [de

  20. 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.

  1. Condensation of exciton polaritons

    International Nuclear Information System (INIS)

    Kasprzak, J.

    2006-10-01

    Because of their unique property of bringing pure quantum effects into the real world scale, phase transitions towards condensed phases - like Bose-Einstein condensation (BEC), superfluidity, and superconductivity - have always fascinated scientists. The BEC, appearing upon cooling a gas of bosons below a critical temperature, has been given a striking demonstration in dilute atomic gases of rubidium atoms at temperatures below 200 nK. By confining photons in a semiconductor micro-cavity, and strongly coupling them to electronic excitations, one may create polaritons. These bosonic quasi-particles are 10 9 times lighter than rubidium atoms, thus theoretically allowing a BEC at standard cryogenic temperatures. Here we detail a comprehensive set of experiments giving compelling evidence for a BEC of polaritons. Above a critical density, we observe massive occupation of the ground state, developing from a thermalized and saturated distribution of the polariton population at (16-20) K. We demonstrate as well the existence of a critical temperature for this transition. The spontaneous onset of a coherent state is manifested by the increase of temporal coherence, the build-up of long-range spatial coherence and the reduction of the thermal noise observed in second order coherence experiments. The marked linear polarization of the emission from the condensate is also measured. All of these findings indicate the spontaneous onset of a macroscopic quantum phase. (author)

  2. Understanding Phase-Change Memory Alloys from a Chemical Perspective

    Science.gov (United States)

    Kolobov, A. V.; Fons, P.; Tominaga, J.

    2015-09-01

    Phase-change memories (PCM) are associated with reversible ultra-fast low-energy crystal-to-amorphous switching in GeTe-based alloys co-existing with the high stability of the two phases at ambient temperature, a unique property that has been recently explained by the high fragility of the glass-forming liquid phase, where the activation barrier for crystallisation drastically increases as the temperature decreases from the glass-transition to room temperature. At the same time the atomistic dynamics of the phase-change process and the associated changes in the nature of bonding have remained unknown. In this work we demonstrate that key to this behavior is the formation of transient three-center bonds in the excited state that is enabled due to the presence of lone-pair electrons. Our findings additionally reveal previously ignored fundamental similarities between the mechanisms of reversible photoinduced structural changes in chalcogenide glasses and phase-change alloys and offer new insights into the development of efficient PCM materials.

  3. 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...

  4. Formation of clusters (ions solvated with products of radiolysis) during irradiation of certain chloralkanes in the condensed phase

    International Nuclear Information System (INIS)

    Sukhov, F.F.; Karatun, A.A.; Slovokhotova, N.A.

    1983-01-01

    Using the infrared spectroscopy method, the radiolysis of the 2-chloropropane and 2-chloro-2-methylpropane was investigated in various phase states and in argon matrix at 15 and 77 K. A conclusion is drawn that the reaction of the radiation dehydrochlorination in the chloralkanes investigated occurs under certain conditions in the vicinity of ions, mostly; as this takes place, unique clusters composed of radiolysis products, i.e. ions solvated with complexes of alkane and hydrogen chloride are being formed. (author)

  5. Differentiation of osteoporotic and neoplastic vertebral fractures by chemical shift {in-phase and out-of phase} MR imaging

    International Nuclear Information System (INIS)

    Ragab, Yasser; Emad, Yasser; Gheita, Tamer; Mansour, Maged; Abou-Zeid, A.; Ferrari, Serge; Rasker, Johannes J.

    2009-01-01

    Objective: The objective of this study was to establish the cut-off value of the signal intensity drop on chemical shift magnetic resonance imaging (MRI) with appropriate sensitivity and specificity to differentiate osteoporotic from neoplastic wedging of the spine. Patients and methods: All patients with wedging of vertebral bodies were included consecutively between February 2006 and January 2007. A chemical shift MRI was performed and signal intensity after (in-phase and out-phase) images were obtained. A DXA was performed in all. Results: A total of 40 patients were included, 20 with osteoporotic wedging (group 1) and 20 neoplastic (group 2). They were 21 males and 19 females. Acute vertebral collapse was observed in 15 patients in group 1 and subacute collapse in another 5 patients, while in group 2, 11 patients showed acute collapse and 9 patients (45%) showed subacute vertebral collapse. On the chemical shift MRI a substantial reduction in signal intensity was found in all lesions in both groups. The proportional changes observed in signal intensity of bone marrow lesions on in-phase compared with out-of-phase images showed significant differences in both groups (P < 0.05). At a cut-off value of 35%, the observed sensitivity of out-of-phase images was 95%, specificity was 100%, positive predictive value was 100% and negative predictive value was 95.2%. Conclusion: A chemical shift MRI is useful in order to differentiate patients with vertebral collapse due to underlying osteoporosis or neoplastic process.

  6. 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.

  7. Deiodinase 1 Screening of ToxCast Phase 1 Chemical Library

    Data.gov (United States)

    U.S. Environmental Protection Agency — This excel spreadsheet contains the resultant data for over from inhibition assays with human Deiodinase 1 screened against the ToxCast Phase 1 chemical library and...

  8. Chemically and Thermally Stable High Energy Density Silicone Composites, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — Thermal energy storage systems with 300 -- 1000 kJ/kg energy density through either phase changes or chemical heat absorption are sought by NASA. This proposed...

  9. The properties of W-boson condensation induced by fermion density at finite temperatures

    International Nuclear Information System (INIS)

    Perez Rojas, H.; Kalashnikov, O.K.

    1987-01-01

    Bose-Einstein condensation of W bosons induced by fermion density is discussed within models of unified interactions at T ≠ 0. We study in detail the Weinberg-Salam model in wich chemical potentials related to lepton number, electric charge and weak neutral charge are introduced. The one-loop thermodynamic potential is calculated and a set of equations representing the necessary condition for condensation is solved thogether with the corresponding chemical equilibrium conditions. The boundary of the condensate phase is established and estimations for the critical lepton density are given. It is found that for small lepton density W-boson condensation exists only in the finite temperature region, evaporating when T goes to zero. (orig.)

  10. Bose-Einstein condensation of photons in an optical microcavity

    OpenAIRE

    Klaers, Jan; Schmitt, Julian; Vewinger, Frank; Weitz, Martin

    2010-01-01

    Bose-Einstein condensation, the macroscopic ground state accumulation of particles with integer spin (bosons) at low temperature and high density, has been observed in several physical systems, including cold atomic gases and solid state physics quasiparticles. However, the most omnipresent Bose gas, blackbody radiation (radiation in thermal equilibrium with the cavity walls) does not show this phase transition, because the chemical potential of photons vanishes and, when the temperature is r...

  11. Models of coherent exciton condensation

    International Nuclear Information System (INIS)

    Littlewood, P B; Eastham, P R; Keeling, J M J; Marchetti, F M; Simons, B D; Szymanska, M H

    2004-01-01

    That excitons in solids might condense into a phase-coherent ground state was proposed about 40 years ago, and has been attracting experimental and theoretical attention ever since. Although experimental confirmation has been hard to come by, the concepts released by this phenomenon have been widely influential. This tutorial review discusses general aspects of the theory of exciton and polariton condensates, focusing on the reasons for coherence in the ground state wavefunction, the BCS to Bose crossover(s) for excitons and for polaritons, and the relationship of the coherent condensates to standard lasers

  12. Models of coherent exciton condensation

    Energy Technology Data Exchange (ETDEWEB)

    Littlewood, P B [Theory of Condensed Matter, Cavendish Laboratory, Cambridge CB3 0HE (United Kingdom); Eastham, P R [Theory of Condensed Matter, Cavendish Laboratory, Cambridge CB3 0HE (United Kingdom); Keeling, J M J [Theory of Condensed Matter, Cavendish Laboratory, Cambridge CB3 0HE (United Kingdom); Marchetti, F M [Theory of Condensed Matter, Cavendish Laboratory, Cambridge CB3 0HE (United Kingdom); Simons, B D [Theory of Condensed Matter, Cavendish Laboratory, Cambridge CB3 0HE (United Kingdom); Szymanska, M H [Theory of Condensed Matter, Cavendish Laboratory, Cambridge CB3 0HE (United Kingdom)

    2004-09-08

    That excitons in solids might condense into a phase-coherent ground state was proposed about 40 years ago, and has been attracting experimental and theoretical attention ever since. Although experimental confirmation has been hard to come by, the concepts released by this phenomenon have been widely influential. This tutorial review discusses general aspects of the theory of exciton and polariton condensates, focusing on the reasons for coherence in the ground state wavefunction, the BCS to Bose crossover(s) for excitons and for polaritons, and the relationship of the coherent condensates to standard lasers.

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

    International Nuclear Information System (INIS)

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

    2013-01-01

    existing theories of the ET. Our alternative dynamic ET model for local modes immersed in the continuum harmonic medium is formulated for both classical and quantum regimes, and accounts explicitly for the mode/medium interaction. The kinetics of the energy exchange between the local ET subsystem and the surrounding environment essentially determine the total ET rate. The efficient computer code for rate computations is elaborated on. The computations are available for a wide range of system parameters, such as the temperature, external field, local mode frequency, and characteristics of mode/medium interaction. The relation of the 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

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

    Energy Technology Data Exchange (ETDEWEB)

    Basilevsky, M. V.; Mitina, E. A. [Photochemistry Center, Russian Academy of Sciences, 7a, Novatorov ul., Moscow (Russian Federation); Odinokov, A. V. [Photochemistry Center, Russian Academy of Sciences, 7a, Novatorov ul., Moscow (Russian Federation); National Research Nuclear University “MEPhI,” 31, Kashirskoye shosse, Moscow (Russian Federation); Titov, S. V. [Karpov Institute of Physical Chemistry, 3-1/12, Building 6, Obuha pereulok, Moscow (Russian Federation)

    2013-12-21

    kinetic regimes, which are usually postulated in the existing theories of the ET. Our alternative dynamic ET model for local modes immersed in the continuum harmonic medium is formulated for both classical and quantum regimes, and accounts explicitly for the mode/medium interaction. The kinetics of the energy exchange between the local ET subsystem and the surrounding environment essentially determine the total ET rate. The efficient computer code for rate computations is elaborated on. The computations are available for a wide range of system parameters, such as the temperature, external field, local mode frequency, and characteristics of mode/medium interaction. The relation of the 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.

  15. 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

    2013-12-21

    modes immersed in the continuum harmonic medium is formulated for both classical and quantum regimes, and accounts explicitly for the mode∕medium interaction. The kinetics of the energy exchange between the local ET subsystem and the surrounding environment essentially determine the total ET rate. The efficient computer code for rate computations is elaborated on. The computations are available for a wide range of system parameters, such as the temperature, external field, local mode frequency, and characteristics of mode/medium interaction. The relation of the 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.

  16. 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).

  17. Calculation of temperatures in condensed phase of burning PMMA by equation of Michelson, Mullar and Le Chatelier

    Science.gov (United States)

    Turgumbayeva, R. Kh; Abdikarimov, M. N.; Sagintayeva, S. S.

    2018-05-01

    Results of studying an aerosol of the dioxide of sulfur and pentoxide of phosphorus released into the atmosphere by the chemical company for processing of phosphorit are presented. Influence of the direction and speed of wind on sulfur dioxide distribution and pentoxide of phosphorus in a ground layer of the atmosphere is studied, and the points of the direction of wind leading to pollution of the atmosphere of the nearby city are allocated. The statistical analysis of environmental pollution is carried out by the method of the correlation and regression analysis. The equations of dependence of the amount of the sulfur dioxide and pentoxide of phosphorus, released into the atmosphere, on the volume, released by the enterprise of production, are defined. The obtained results are recommended for control, regulation and management of the environment.

  18. Keeping condensers clean

    Energy Technology Data Exchange (ETDEWEB)

    Wicker, K.

    2006-04-15

    The humble condenser is among the biggest contributors to a steam power plant's efficiency. But although a clean condenser can provide great economic benefit, a dirty one can raise plant heat rate, resulting in large losses of generation revenue and/or unnecessarily high fuel bills. Conventional methods for cleaning fouled tubes range form chemicals to scrapers to brushes and hydro-blasters. This article compares the available options and describes how one power station, Omaha Public Power District's 600 MW North Omaha coal-fired power station, cleaned up its act. The makeup and cooling water of all its five units comes from the Missouri River. 6 figs.

  19. Phase Characterization of Cucumber Growth: A Chemical Gel Model

    Directory of Open Access Journals (Sweden)

    Bo Li

    2016-01-01

    Full Text Available Cucumber grows with complex phenomena by changing its volume and shape, which is not fully investigated and challenges agriculture and food safety industry. In order to understand the mechanism and to characterize the growth process, the cucumber is modeled as a hydrogel in swelling and its development is studied in both preharvest and postharvest stages. Based on thermodynamics, constitutive equations, incorporating biological quantities, are established. The growth behavior of cucumber follows the classic theory of continuous or discontinuous phase transition. The mechanism of bulged tail in cucumber is interpreted by phase coexistence and characterized by critical conditions. Conclusions are given for advances in food engineering and novel fabrication techniques in mechanical biology.

  20. Sedimentation stacking diagram of binary colloidal mixtures and bulk phases in the plane of chemical potentials

    International Nuclear Information System (INIS)

    Heras, Daniel de las; Schmidt, Matthias

    2015-01-01

    We give a full account of a recently proposed theory that explicitly relates the bulk phase diagram of a binary colloidal mixture to its phase stacking phenomenology under gravity (de las Heras and Schmidt 2013 Soft Matter 9 8636). As we demonstrate, the full set of possible phase stacking sequences in sedimentation-diffusion equilibrium originates from straight lines (sedimentation paths) in the chemical potential representation of the bulk phase diagram. From the analysis of various standard topologies of bulk phase diagrams, we conclude that the corresponding sedimentation stacking diagrams can be very rich, even more so when finite sample height is taken into account. We apply the theory to obtain the stacking diagram of a mixture of nonadsorbing polymers and colloids. We also present a catalog of generic phase diagrams in the plane of chemical potentials in order to facilitate the practical application of our concept, which also generalizes to multi-component mixtures. (paper)

  1. Isotope effects and the temperature dependences of the hyperfine coupling constants of muoniated sec-butyl radicals in condensed phases.

    Science.gov (United States)

    Fleming, Donald G; Bridges, Michael D; Arseneau, Donald J; Chen, Ya Kun; Wang, Yan Alexander

    2011-04-07

    Reported here is the first μSR study of the muon (A(μ)) and proton (A(p)) β-hyperfine coupling constants (Hfcc) of muoniated sec-butyl radicals, formed by muonium (Mu) addition to 1-butene and to cis- and trans-2-butene. The data are compared with in vacuo spin-unrestricted MP2 and hybrid DFT/B3YLP calculations reported in the previous paper (I), which played an important part in the interpretation of the data. The T-dependences of both the (reduced) muon, A(μ)′(T), and proton, A(p)(T), Hfcc are surprisingly well explained by a simple model, in which the calculated Hfcc from paper I at energy minima of 0 and near ±120° are thermally averaged, assuming an energy dependence given by a basic 2-fold torsional potential. Fitted torsional barriers to A(μ)′(T) from this model are similar (~3 kJ/mol) for all muoniated butyl radicals, suggesting that these are dominated by ZPE effects arising from the C−Mu bond, but for A(p)(T) exhibit wide variations depending on environment. For the cis- and trans-2-butyl radicals formed from 2-butene, A(μ)′(T) exhibits clear discontinuities at bulk butene melting points, evidence for molecular interactions enhancing these muon Hfcc in the environment of the solid state, similar to that found in earlier reports for muoniated tert-butyl. In contrast, for Mu−sec-butyl formed from 1-butene, there is no such discontinuity. The muon hfcc for the trans-2-butyl radical are seemingly very well predicted by B3LYP calculations in the solid phase, but for sec-butyl from 1-butene, showing the absence of further interactions, much better agreement is found with the MP2 calculations across the whole temperature range. Examples of large proton Hfcc near 0 K are also reported, due to eclipsed C−H bonds, in like manner to C−Mu, which then also exhibit clear discontinuities in A(p)(T) at bulk melting points. The data suggest that the good agreement found between theory and experiment from the B3LYP calculations for eclipsed bonds in

  2. Characterization of spacecraft humidity condensate

    Science.gov (United States)

    Muckle, Susan; Schultz, John R.; Sauer, Richard L.

    1994-01-01

    When construction of Space Station Freedom reaches the Permanent Manned Capability (PMC) stage, the Water Recovery and Management Subsystem will be fully operational such that (distilled) urine, spent hygiene water, and humidity condensate will be reclaimed to provide water of potable quality. The reclamation technologies currently baselined to process these waste waters include adsorption, ion exchange, catalytic oxidation, and disinfection. To ensure that the baseline technologies will be able to effectively remove those compounds presenting a health risk to the crew, the National Research Council has recommended that additional information be gathered on specific contaminants in waste waters representative of those to be encountered on the Space Station. With the application of new analytical methods and the analysis of waste water samples more representative of the Space Station environment, advances in the identification of the specific contaminants continue to be made. Efforts by the Water and Food Analytical Laboratory at JSC were successful in enlarging the database of contaminants in humidity condensate. These efforts have not only included the chemical characterization of condensate generated during ground-based studies, but most significantly the characterization of cabin and Spacelab condensate generated during Shuttle missions. The analytical results presented in this paper will be used to show how the composition of condensate varies amongst enclosed environments and thus the importance of collecting condensate from an environment close to that of the proposed Space Station. Although advances were made in the characterization of space condensate, complete characterization, particularly of the organics, requires further development of analytical methods.

  3. A quantitative infrared spectral library of vapor phase chemicals: applications to environmental monitoring and homeland defense

    Science.gov (United States)

    Sharpe, Steven W.; Johnson, Timothy J.; Sams, Robert L.

    2004-12-01

    The utility of infrared spectroscopy for monitoring and early warning of accidental or deliberate chemical releases to the atmosphere is well documented. Regardless of the monitoring technique (open-path or extractive) or weather the spectrometer is passive or active (Fourier transform or lidar) a high quality, quantitative reference library is essential for meaningful interpretation of the data. Pacific Northwest National Laboratory through the support of the Department of Energy has been building a library of pure, vapor phase chemical species for the last 4 years. This infrared spectral library currently contains over 300 chemicals and is expected to grow to over 400 chemicals before completion. The library spectra are based on a statistical fit to many spectra at different concentrations, allowing for rigorous error analysis. The contents of the library are focused on atmospheric pollutants, naturally occurring chemicals, toxic industrial chemicals and chemicals specifically designed to do damage. Applications, limitations and technical details of the spectral library will be discussed.

  4. The influence of vertical sorbed phase transport on the fate of organic chemicals in surface soils.

    Science.gov (United States)

    McLachlan, Michael S; Czub, Gertje; Wania, Frank

    2002-11-15

    Gaseous exchange between surface soil and the atmosphere is an important process in the environmental fate of many chemicals. It was hypothesized that this process is influenced by vertical transport of chemicals sorbed to soil particles. Vertical sorbed phase transport in surface soils occurs by many processes such as bioturbation, cryoturbation, and erosion into cracks formed by soil drying. The solution of the advection/diffusion equation proposed by Jury et al. to describe organic chemical fate in a uniformly contaminated surface soil was modified to include vertical sorbed phase transport This process was modeled using a sorbed phase diffusion coefficient, the value of which was derived from soil carbon mass balances in the literature. The effective diffusivity of the chemical in a typical soil was greater in the modified model than in the model without sorbed phase transport for compounds with log K(OW) > 2 and log K(OA) > 6. Within this chemical partitioning space, the rate of volatilization from the surface soil was larger in the modified model than in the original model by up to a factor of 65. The volatilization rate was insensitive to the value of the sorbed phase diffusion coefficient throughout much of this chemical partitioning space, indicating that the surface soil layer was essentially well-mixed and that the mass transfer coefficient was determined by diffusion through the atmospheric boundary layer only. When this process was included in a non-steady-state regional multimedia chemical fate model running with a generic emissions scenario to air, the predicted soil concentrations increased by upto a factor of 25,whilethe air concentrations decreased by as much as a factor of approximately 3. Vertical sorbed phase transport in the soil thus has a major impact on predicted air and soil concentrations, the state of equilibrium, and the direction and magnitude of the chemical flux between air and soil. It is a key process influencing the environmental

  5. 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

  6. Chemical dynamics in the gas phase: Time-dependent quantum mechanics of chemical reactions

    Energy Technology Data Exchange (ETDEWEB)

    Gray, S.K. [Argonne National Laboratory, IL (United States)

    1993-12-01

    A major goal of this research is to obtain an understanding of the molecular reaction dynamics of three and four atom chemical reactions using numerically accurate quantum dynamics. This work involves: (i) the development and/or improvement of accurate quantum mechanical methods for the calculation and analysis of the properties of chemical reactions (e.g., rate constants and product distributions), and (ii) the determination of accurate dynamical results for selected chemical systems, which allow one to compare directly with experiment, determine the reliability of the underlying potential energy surfaces, and test the validity of approximate theories. This research emphasizes the use of recently developed time-dependent quantum mechanical methods, i.e. wave packet methods.

  7. Antimicrobial activity of silica coated silicon nano-tubes (SCSNT) and silica coated silicon nano-particles (SCSNP) synthesized by gas phase condensation.

    Science.gov (United States)

    Tank, Chiti; Raman, Sujatha; Karan, Sujoy; Gosavi, Suresh; Lalla, Niranjan P; Sathe, Vasant; Berndt, Richard; Gade, W N; Bhoraskar, S V; Mathe, Vikas L

    2013-06-01

    Silica-coated, silicon nanotubes (SCSNTs) and silica-coated, silicon nanoparticles (SCSNPs) have been synthesized by catalyst-free single-step gas phase condensation using the arc plasma process. Transmission electron microscopy and scanning tunneling microscopy showed that SCSNTs exhibited a wall thickness of less than 1 nm, with an average diameter of 14 nm and a length of several 100 nm. Both nano-structures had a high specific surface area. The present study has demonstrated cheaper, resistance-free and effective antibacterial activity in silica-coated silicon nano-structures, each for two Gram-positive and Gram-negative bacteria. The minimum inhibitory concentration (MIC) was estimated, using the optical densitometric technique, and by determining colony-forming units. The MIC was found to range in the order of micrograms, which is comparable to the reported MIC of metal oxides for these bacteria. SCSNTs were found to be more effective in limiting the growth of multidrug-resistant Staphylococcus aureus over SCSNPs at 10 μg/ml (IC 50 = 100 μg/ml).

  8. Simultaneous on-line size and chemical analysis of gas phase and particulate phase of mainstream tobacco smoke

    International Nuclear Information System (INIS)

    McAughey, J; McGrath, C; Adam, T; Mocker, C; Zimmermann, R

    2009-01-01

    Tobacco smoke is a complex and dynamic physical and chemical matrix in which about 4800 components have been identified. It is known that deposition efficiencies of smoke particles in the lung in the lung (60-80%) are greater than expected for smoke particles of 150-- 250 nm count median diameter (CMD). Various mechanisms have been put forward to explain this enhanced deposition pattern, including coagulation, hygroscopic growth, condensation and evaporation, changes in composition, or changes in inhalation behaviour. This paper represents one of three studies seeking to better quantify smoke chemistry, inhalation behaviour and cumulative particle growth. This information will improve dosimetry estimates in quantitative risk assessment tools as part of a harm reduction process. In this study smoke particle size and chemistry were measured simultaneously in real-time using electrical mobility spectrometry and soft-ionisation, time-of-flight mass spectrometry respectively. Qualitative puff-by-puff resolved yields of three selected compounds (acetaldehyde, phenol, and styrene) are shown and compared with particle number and count median diameter from different smoking intensities and filter ventilation. Yields of chemical analysis, particle diameter and concentration are in good agreement with the intensity of the smoking regime and the dilution of smoke by filter ventilation.

  9. Dynamics of inhomogeneous chiral condensates

    Science.gov (United States)

    Carlomagno, Juan Pablo; Krein, Gastão; Kroff, Daniel; Peixoto, Thiago

    2018-01-01

    We study the dynamics of the formation of inhomogeneous chirally broken phases in the final stages of a heavy-ion collision, with particular interest on the time scales involved in the formation process. The study is conducted within the framework of a Ginzburg-Landau time evolution, driven by a free energy functional motivated by the Nambu-Jona-Lasinio model. Expansion of the medium is modeled by one-dimensional Bjorken flow and its effect on the formation of inhomogeneous condensates is investigated. We also use a free energy functional from a nonlocal Nambu-Jona-Lasinio model which predicts metastable phases that lead to long-lived inhomogeneous condensates before reaching an equilibrium phase with homogeneous condensates.

  10. 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.

  11. Black hole phase transitions and the chemical potential

    Energy Technology Data Exchange (ETDEWEB)

    Maity, Reevu, E-mail: reevum@iitk.ac.in; Roy, Pratim, E-mail: proy@iitk.ac.in; Sarkar, Tapobrata, E-mail: tapo@iitk.ac.in

    2017-02-10

    In the context of black hole thermodynamics and the AdS–CFT correspondence, we consider the chemical potential (μ) dual to the number of colours (N) of the boundary gauge theory, in the grand canonical ensemble. By appropriately defining μ via densities of thermodynamic quantities, we show that it changes sign precisely at the Hawking–Page transition for AdS–Schwarzschild and RN–AdS black holes in five dimensions, signalling the onset of quantum effects at the transition point. Such behaviour is absent for non-rotating black holes in four dimensions. For Kerr–AdS black holes in four and five dimensions, our analysis points to the fact that μ can change sign in the stable black hole region, i.e. above the Hawking–Page transition temperature, for a range of angular frequencies. We also analyse AdS black holes in five dimensional Gauss–Bonnet gravity, and find similar features for μ as in the Kerr–AdS case.

  12. The Eco Logic gas-phase chemical reduction process

    International Nuclear Information System (INIS)

    Hallett, D.J.; Campbell, K.R.

    1994-01-01

    Since 1986, Eco Logic has conducted research with the aim of developing a new technology for destroying aqueous organic wastes, such as contaminated harbor sediments, landfill soil and leachates, and lagoon sludges. The goal was a commercially-viable chemical process that could deal with these watery wastes and also process stored wastes. The process described in this paper was developed with a view to avoiding the expense and technical drawbacks of incinerators, while still providing high destruction efficiencies and waste volume capabilities. A lab-scale process unit was constructed in 1988 and tested extensively. Based on the results of these tests, it was decided to construct a mobile pilot-scale unit that could be used for further testing and ultimately for small commercial waste processing operations. It was taken through a preliminary round of tests at Hamilton Harbour, Ontario, where the waste processed was coal-tar-contaminated harbor sediment. In 1992, the same unit was taken through a second round of tests in Bay City, Michigan. In this test program, the pilot-scale unit processed PCBs in aqueous, organic and soil matrices. This paper describes the process reactions and the pilot-scale process unit, and presents the results of pilot-scale testing thus far

  13. Black hole phase transitions and the chemical potential

    Directory of Open Access Journals (Sweden)

    Reevu Maity

    2017-02-01

    Full Text Available In the context of black hole thermodynamics and the AdS–CFT correspondence, we consider the chemical potential (μ dual to the number of colours (N of the boundary gauge theory, in the grand canonical ensemble. By appropriately defining μ via densities of thermodynamic quantities, we show that it changes sign precisely at the Hawking–Page transition for AdS–Schwarzschild and RN–AdS black holes in five dimensions, signalling the onset of quantum effects at the transition point. Such behaviour is absent for non-rotating black holes in four dimensions. For Kerr–AdS black holes in four and five dimensions, our analysis points to the fact that μ can change sign in the stable black hole region, i.e. above the Hawking–Page transition temperature, for a range of angular frequencies. We also analyse AdS black holes in five dimensional Gauss–Bonnet gravity, and find similar features for μ as in the Kerr–AdS case.

  14. Polymorphism of Lysozyme Condensates.

    Science.gov (United States)

    Safari, Mohammad S; Byington, Michael C; Conrad, Jacinta C; Vekilov, Peter G

    2017-10-05

    Protein condensates play essential roles in physiological processes and pathological conditions. Recently discovered mesoscopic protein-rich clusters may act as crucial precursors for the nucleation of ordered protein solids, such as crystals, sickle hemoglobin polymers, and amyloid fibrils. These clusters challenge settled paradigms of protein condensation as the constituent protein molecules present features characteristic of both partially misfolded and native proteins. Here we employ the antimicrobial enzyme lysozyme and examine the similarities between mesoscopic clusters, amyloid structures, and disordered aggregates consisting of chemically modified protein. We show that the mesoscopic clusters are distinct from the other two classes of aggregates. Whereas cluster formation and amyloid oligomerization are both reversible, aggregation triggered by reduction of the intramolecular S-S bonds is permanent. In contrast to the amyloid structures, protein molecules in the clusters retain their enzymatic activity. Furthermore, an essential feature of the mesoscopic clusters is their constant radius of less than 50 nm. The amyloid and disordered aggregates are significantly larger and rapidly grow. These findings demonstrate that the clusters are a product of limited protein structural flexibility. In view of the role of the clusters in the nucleation of ordered protein solids, our results suggest that fine-tuning the degree of protein conformational stability is a powerful tool to control and direct the pathways of protein condensation.

  15. Goldstone boson condensation and effects of the axial anomaly in color superconductivity

    Energy Technology Data Exchange (ETDEWEB)

    Basler, Hannes Gregor Steffen

    2011-01-12

    One of the central objects of interest in high energy physics is the phase diagram of strongly interacting matter, the behavior of quarks and gluons in dependence of temperature and chemical potential. At very high densities and low temperatures it is expected that quarks form a superconductor, the so-called color superconductor. Such a color superconductor might be realized in the inner core of a neutron star. To study the phase structure of a color superconductor under neutron star conditions the Nambu-Jona-Lasinio model is used. The diquark condensates appearing in a color superconductor may break the original symmetries and give rise to Goldstone bosons. In this work we study the possible condensation of these Goldstone bosons. On the level of diquark condensates the condensation of Goldstone bosons is realized by a rotation of scalar into pseudoscalar diquark condensates. The phase diagram is studied, including pseudoscalar diquark condensates, for several different values of the lepton number chemical potential. The masses and thereby the condensation of the Goldstone bosons is effected by a six-point interaction that breaks the axial U(1) symmetry. Usually this six-point interaction is implemented in the NJL model in such a way that is does not effect the diquark sector. This can be fixed by adding an second six-point interaction term to the NJL Lagrangian. The coupling strength of this new interaction term has a great influence on the phase digram. In this context also the effect on the chiral phase transition is studied. (orig.)

  16. Plasma-assisted partial oxidation of methane at low temperatures: numerical analysis of gas-phase chemical mechanism

    Energy Technology Data Exchange (ETDEWEB)

    Goujard, Valentin; Nozaki, Tomohiro; Yuzawa, Shuhei; Okazaki, Ken [Department of Mechanical and Control Engineering, Tokyo Institute of Technology, 2-12-1 O-okayama, Meguro, 1528552, Tokyo (Japan); Agiral, Anil, E-mail: tnozaki@mech.titech.ac.jp [Mesoscale Chemical Systems, MESA Institute for Nanotechnology, Faculty of Science and Technology, University of Twente, PO Box 217, 7500 AE, Enschede (Netherlands)

    2011-07-13

    Methane partial oxidation was investigated using a plasma microreactor. The experiments were performed at 5 and 300 deg. C. Microreactor configuration allows an efficient evacuation of the heat generated by methane partial oxidation and dielectric barrier discharges, allowing at the same time a better temperature control. At 5 deg. C, liquid condensation of low vapour pressure compounds, such as formaldehyde and methanol, occurs. {sup 1}H-NMR analysis allowed us to demonstrate significant CH{sub 3}OOH formation during plasma-assisted partial oxidation of methane. Conversion and product selectivity were discussed for both temperatures. In the second part of this work, a numerical simulation was performed and a gas-phase chemical mechanism was proposed and discussed. From the comparison between the experimental results and the simulation it was found that CH{sub 3}OO{center_dot} formation has a determinant role in oxygenated compound production, since its fast formation disfavoured radical recombination. At 5 deg. C the oxidation leads mainly towards oxygenated compound formation, and plasma dissociation was the major phenomenon responsible for CH{sub 4} conversion. At 300 deg. C, higher CH{sub 4} conversion resulted from oxidative reactions induced by {center_dot}OH radicals with a chemistry predominantly oxidative, producing CO, H{sub 2}, CO{sub 2} and H{sub 2}O.

  17. 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.

  18. 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.

  19. 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

  20. Dual approaches for defects condensation

    Energy Technology Data Exchange (ETDEWEB)

    Rougemont, Romulo; Grigorio, Leonardo de Souza; Wotzasek, Clovis [Universidade Federal do Rio de Janeiro (UFRJ), RJ (Brazil); Guimaraes, Marcelo Santos [Universidade do Estado do Rio de Janeiro (UERJ), RJ (Brazil)

    2009-07-01

    Full text. Due to the fact that the QCD running coupling constant becomes larger as we go into the low energy (or large distance) limit of the theory, a perturbative treatment of its infrared (IR) region is impossible. In particular, a formal mathematical demonstration of color confinement and a complete physical understanding of the exact mechanism that confines quarks and gluons are two missing points in our current knowledge of the IR-QCD. It was known that due to the Meissner effect of expulsion of magnetic fields in a electric condensate that usual superconductors should confine magnetic monopoles. That point led to the conjecture that the QCD vacuum could be a condensate of chromomagnetic monopoles, a dual superconductor (DSC). Such a chromomagnetic condensate should be responsible for the dual Meissner effect which is expected to lead to the confinement of color charges immersed in this medium. In dual superconductor models of color confinement, magnetic monopoles appear as topological defects in points of the space where the abelian projection becomes singular. Also, condensation of other kinds of defects such as vortices in superfluids and line-like defects in solids are responsible for a great variety of phase transitions, which once more proves the relevance of the subject. In the present work we review two methods that allow us to approach the condensation of defects: the Kleinert Mechanism (KM) and the Julia-Toulouse Mechanism (JTM). We show that in the limit where the vortex gauge field goes to zero, which we identify as the signature of the condensation of defects in the dual picture, these are two equivalent dual prescriptions for obtaining an effective theory for a phase where defects are condensed, starting from the fundamental theory defined in the normal phase where defects are diluted. (author)

  1. Modeling the partitioning of organic chemical species in cloud phases with CLEPS (1.1)

    Science.gov (United States)

    Rose, Clémence; Chaumerliac, Nadine; Deguillaume, Laurent; Perroux, Hélène; Mouchel-Vallon, Camille; Leriche, Maud; Patryl, Luc; Armand, Patrick

    2018-02-01

    The new detailed aqueous-phase mechanism Cloud Explicit Physico-chemical Scheme (CLEPS 1.0), which describes the oxidation of isoprene-derived water-soluble organic compounds, is coupled with a warm microphysical module simulating the activation of aerosol particles into cloud droplets. CLEPS 1.0 was then extended to CLEPS 1.1 to include the chemistry of the newly added dicarboxylic acids dissolved from the particulate phase. The resulting coupled model allows the prediction of the aqueous-phase concentrations of chemical compounds originating from particle scavenging, mass transfer from the gas-phase and in-cloud aqueous chemical reactivity. The aim of the present study was more particularly to investigate the effect of particle scavenging on cloud chemistry. Several simulations were performed to assess the influence of various parameters on model predictions and to interpret long-term measurements conducted at the top of Puy de Dôme (PUY, France) in marine air masses. Specific attention was paid to carboxylic acids, whose predicted concentrations are on average in the lower range of the observations, with the exception of formic acid, which is rather overestimated in the model. The different sensitivity runs highlight the fact that formic and acetic acids mainly originate from the gas phase and have highly variable aqueous-phase reactivity depending on the cloud acidity, whereas C3-C4 carboxylic acids mainly originate from the particulate phase and are supersaturated in the cloud.

  2. 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

  3. Chemical synthesis, phase transformation and magnetic proprieties of FePt and FePd nanoparticles

    International Nuclear Information System (INIS)

    Delattre, Anastasia

    2010-01-01

    This work aims at understanding the chemical synthesis of FePt and FePd nanoparticles (NPs), and at exploring how to implement the phase transformation from the chemically disordered to the L10 phase, without coalescence. Using hexadecanenitrile instead of oleylamine, we obtain NPs with a more homogenous internal composition, instead of core-shell NPs. Through a systematic study (designed experiment relying on Taguchi tables), we developed the FePd synthesis, while evidencing the role of each ligand and of the reductor. To induce the crystalline phase transformation while avoiding coalescence, we explored two ways. In the first one, atomic vacancies are introduced in the NPs through light ion irradiation, atomic mobility being ensured by annealing at moderate temperature (300 C). As a result, the blocking temperature is multiplied by 4, due to anisotropy enhancement. However, strong chemical ordering in the L10 phase cannot be achieved. The second approach relies on the dispersion of the NPs in a salt (NaCl) matrix, prior to annealing at 700 C: high chemical ordering is achieved, and the blocking temperature is beyond 400 C. We then developed a single-step process to remove the salt by dissolution in water and to re-disperse NPs in stable aqueous or organics solutions. These high magnetic anisotropy NPs are then readily available for further chemical or manipulation steps, with applied perspectives in areas such as data storage, or biology. (author)

  4. Condensation model for the ESBWR passive condensers

    International Nuclear Information System (INIS)

    Revankar, S. T.; Zhou, W.; Wolf, B.; Oh, S.

    2012-01-01

    In the General Electric's Economic simplified boiling water reactor (GE-ESBWR) the passive containment cooling system (PCCS) plays a major role in containment pressure control in case of an loss of coolant accident. The PCCS condenser must be able to remove sufficient energy from the reactor containment to prevent containment from exceeding its design pressure following a design basis accident. There are three PCCS condensation modes depending on the containment pressurization due to coolant discharge; complete condensation, cyclic venting and flow through mode. The present work reviews the models and presents model predictive capability along with comparison with existing data from separate effects test. The condensation models in thermal hydraulics code RELAP5 are also assessed to examine its application to various flow modes of condensation. The default model in the code predicts complete condensation well, and basically is Nusselt solution. The UCB model predicts through flow well. None of condensation model in RELAP5 predict complete condensation, cyclic venting, and through flow condensation consistently. New condensation correlations are given that accurately predict all three modes of PCCS condensation. (authors)

  5. Chemical-Reaction-Controlled Phase Separated Drops: Formation, Size Selection, and Coarsening

    Science.gov (United States)

    Wurtz, Jean David; Lee, Chiu Fan

    2018-02-01

    Phase separation under nonequilibrium conditions is exploited by biological cells to organize their cytoplasm but remains poorly understood as a physical phenomenon. Here, we study a ternary fluid model in which phase-separating molecules can be converted into soluble molecules, and vice versa, via chemical reactions. We elucidate using analytical and simulation methods how drop size, formation, and coarsening can be controlled by the chemical reaction rates, and categorize the qualitative behavior of the system into distinct regimes. Ostwald ripening arrest occurs above critical reaction rates, demonstrating that this transition belongs entirely to the nonequilibrium regime. Our model is a minimal representation of the cell cytoplasm.

  6. Bi-Polaron Condensation in High Tc Superconductors

    International Nuclear Information System (INIS)

    Ranninger, J.

    1995-01-01

    On the basis of optical measurements-, photoemission-, EXAFS- and neutron scattering-experiments we conclude that itinerant valence electrons coexist with localized bi-polarons.Entering the metallic phase upon chemical doping, a charge transfer between the two electronic subsystems is triggered off. We show that as the temperature is lowered towards Tc this process leads to a delocalization of bi-polarons due to a precursor effect of superfluidity of those bi-polarons. Upon entering the superconducting phase, these bipolarons ultimately condense into a superfluid state which is expected to largely determine the superconducting properties of high Tc materials. (authors)

  7. Temperature and baryon-chemical-potential-dependent bag pressure for a deconfining phase transition

    International Nuclear Information System (INIS)

    Patra, B.K.; Singh, C.P.

    1996-01-01

    We explore the consequences of a bag model developed by Leonidov et al. for the deconfining phase transition in which the bag pressure is made to depend on the temperature and baryon chemical potential in order to ensure the entropy and baryon number conservation at the phase boundary together with the Gibbs construction for an equilibrium phase transition. We show that the bag pressure thus obtained yields an anomalous increasing behavior with the increasing baryon chemical potential at a fixed temperature which defies a physical interpretation. We demonstrate that the inclusion of the perturbative interactions in the QGP phase removes this difficulty. Further consequences of the modified bag pressure are discussed. copyright 1996 The American Physical Society

  8. Mixed fermion-photon condensate in strongly coupled quantum electrodynamics

    International Nuclear Information System (INIS)

    Gusynin, V.P.; Kushnir, V.A.

    1989-01-01

    The existence of a new mixed fermion-photon condensate breaking chiral symmetry in strongly coupled phase of quantum electrodynamics is shown. An analytical expression for the renormalized condensate is obtained. 20 refs.; 2 figs

  9. 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

  10. 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.

  11. Phase and Texture Evolution in Chemically Derived PZT Thin Films on Pt Substrates

    Science.gov (United States)

    2014-09-01

    function of heating rate. The FWHM of the Ill PZT texture components is sim 2978 Journal of the American Ceramic Society Mhin et al. Vol. 97, No. 9...Z39.18 ABSTRACT Phase and Texture Evolution in Chemically Derived PZT Thin Films on Pt Substrates Report Title The crystallization of lead zirconate...phase influencing texture evolution. The results suggest that PZT nucleates directly on Pt, which explains the observation of a more highly oriented

  12. Assessment of chemical vulnerabilities in the Hanford high-level waste tanks

    International Nuclear Information System (INIS)

    Meacham, J.E.

    1996-01-01

    The purpose of this report is to summarize results of relevant data (tank farm and laboratory) and analysis related to potential chemical vulnerabilities of the Hanford Site waste tanks. Potential chemical safety vulnerabilities examined include spontaneous runaway reactions, condensed phase waste combustibility, and tank headspace flammability. The major conclusions of the report are the following: Spontaneous runaway reactions are not credible; condensed phase combustion is not likely; and periodic releases of flammable gas can be mitigated by interim stabilization

  13. Constraining the QCD phase diagram by tricritical lines at imaginary chemical potential

    CERN Document Server

    de Forcrand, Philippe

    2010-01-01

    We present unambiguous evidence from lattice simulations of QCD with three degenerate quark species for two tricritical points in the (T,m) phase diagram at fixed imaginary \\mu/T=i\\pi/3 mod 2\\pi/3, one in the light and one in the heavy mass regime. These represent the boundaries of the chiral and deconfinement critical lines continued to imaginary chemical potential, respectively. It is demonstrated that the shape of the deconfinement critical line for real chemical potentials is dictated by tricritical scaling and implies the weakening of the deconfinement transition with real chemical potential. The generalization to non-degenerate and light quark masses is discussed.

  14. Enhanced Condensation Heat Transfer

    Science.gov (United States)

    Rose, John Winston

    The paper gives some personal observations on various aspects of enhanced condensation heat transfer. The topics discussed are external condensation (horizontal low-finned tubes and wire-wrapped tubes), internal condensation (microfin tubes and microchannels) and Marangoni condensation of binary mixtures.

  15. The constitutive distributed parameter model of multicomponent chemical processes in gas, fluid and solid phase

    International Nuclear Information System (INIS)

    Niemiec, W.

    1985-01-01

    In the literature of distributed parameter modelling of real processes is not considered the class of multicomponent chemical processes in gas, fluid and solid phase. The aim of paper is constitutive distributed parameter physicochemical model, constructed on kinetics and phenomenal analysis of multicomponent chemical processes in gas, fluid and solid phase. The mass, energy and momentum aspects of these multicomponent chemical reactions and adequate phenomena are utilized in balance operations, by conditions of: constitutive invariance for continuous media with space and time memories, reciprocity principle for isotropic and anisotropic nonhomogeneous media with space and time memories, application of definitions of following derivative and equation of continuity, to the construction of systems of partial differential constitutive state equations, in the following derivative forms for gas, fluid and solid phase. Couched in this way all physicochemical conditions of multicomponent chemical processes in gas, fluid and solid phase are new form of constitutive distributed parameter model for automatics and its systems of equations are new form of systems of partial differential constitutive state equations in sense of phenomenal distributed parameter control

  16. ECO LOGIC INTERNATIONAL GAS-PHASE CHEMICAL REDUCTION PROCESS - THE THERMAL DESORPTION UNIT - APPLICATIONS ANALYSIS REPORT

    Science.gov (United States)

    ELI ECO Logic International, Inc.'s Thermal Desorption Unit (TDU) is specifically designed for use with Eco Logic's Gas Phase Chemical Reduction Process. The technology uses an externally heated bath of molten tin in a hydrogen atmosphere to desorb hazardous organic compounds fro...

  17. Lignin solubilization and aqueous phase reforming for the production of aromatic chemicals and hydrogen

    NARCIS (Netherlands)

    Zakzeski, J.|info:eu-repo/dai/nl/326160256; Weckhuysen, B.M.|info:eu-repo/dai/nl/285484397

    2011-01-01

    The solubilization and aqueous phase reforming of lignin, including kraft, soda, and alcell lignin along with sugarcane bagasse, at low temperatures (T≤498 K) and pressures (P≤29 bar) is reported for the first time for the production of aromatic chemicals and hydrogen. Analysis of lignin model

  18. Chemically and geographically distinct solid-phase iron pools in the Southern Ocean

    CSIR Research Space (South Africa)

    Mtshali, TN

    2012-11-01

    Full Text Available Iron is a limiting nutrient in many parts of the oceans, including the unproductive regions of the Southern Ocean. Although the dominant fraction of the marine iron pool occurs in the form of solid-phase particles, its chemical speciation...

  19. Analytical model of chemical phase and formation of DSB in chromosomes by ionizing radiation

    Czech Academy of Sciences Publication Activity Database

    Barilla, J.; Lokajíček, Miloš; Pisaková, Hana; Šimr, P.

    2013-01-01

    Roč. 36, č. 1 (2013), s. 11-17 ISSN 0158-9938 Institutional support: RVO:68378271 Keywords : radiobiological mechanism * chemical phase * DSB formation * oxygen effect Subject RIV: BF - Elementary Particles and High Energy Physics Impact factor: 0.848, year: 2013

  20. Phase Equilibrium, Chemical Equilibrium, and a Test of the Third Law: Experiments for Physical Chemistry.

    Science.gov (United States)

    Dannhauser, Walter

    1980-01-01

    Described is an experiment designed to provide an experimental basis for a unifying point of view (utilizing theoretical framework and chemistry laboratory experiments) for physical chemistry students. Three experiments are described: phase equilibrium, chemical equilibrium, and a test of the third law of thermodynamics. (Author/DS)

  1. 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.)

  2. Fermion masses through four-fermion condensates

    Energy Technology Data Exchange (ETDEWEB)

    Ayyar, Venkitesh [Department of Physics, Duke University,Science Drive, Durham, NC 27708 (United States); Chandrasekharan, Shailesh [Department of Physics, Duke University,Science Drive, Durham, NC 27708 (United States); Center for High Energy Physics, Indian Institute of Science,C.V. Raman Avenue, Bangalore, 560012 (India)

    2016-10-12

    Fermion masses can be generated through four-fermion condensates when symmetries prevent fermion bilinear condensates from forming. This less explored mechanism of fermion mass generation is responsible for making four reduced staggered lattice fermions massive at strong couplings in a lattice model with a local four-fermion coupling. The model has a massless fermion phase at weak couplings and a massive fermion phase at strong couplings. In particular there is no spontaneous symmetry breaking of any lattice symmetries in both these phases. Recently it was discovered that in three space-time dimensions there is a direct second order phase transition between the two phases. Here we study the same model in four space-time dimensions and find results consistent with the existence of a narrow intermediate phase with fermion bilinear condensates, that separates the two asymptotic phases by continuous phase transitions.

  3. Investigation into the determination of trimethylarsine in natural gas and its partitioning into gas and condensate phases using (cryotrapping)/gas chromatography coupled to inductively coupled plasma mass spectrometry and liquid/solid sorption techniques

    International Nuclear Information System (INIS)

    Krupp, E.M.; Johnson, C.; Rechsteiner, C.; Moir, M.; Leong, D.; Feldmann, J.

    2007-01-01

    Speciation of trialkylated arsenic compunds in natural gas, pressurized and stable condensate samples from the same gas well was performed using (Cryotrapping) Gas Chromatography-Inductively Coupled Plasma Mass Spectrometry. The major species in all phases investigated was found to be trimethylarsine with a highest concentration of 17.8 ng/L (As) in the gas phase and 33.2 μg/L (As) in the stable condensate phase. The highest amount of trimethylarsine (121 μg/L (As)) was found in the pressurized condensate, along with trace amounts of non-identified higher alkylated arsines. Volatile arsenic species in natural gas and its related products cause concern with regards to environment, safety, occupational health and gas processing. Therefore, interest lies in a fast and simple field method for the determination of volatile arsenicals. Here, we use simple liquid and solid sorption techniques, namely absorption in silver nitrate solution and adsorption on silver nitrate impregnated silica gel tubes followed by total arsenic determination as a promising tool for field monitoring of volatile arsenicals in natural gas and gas condensates. Preliminary results obtained for the sorption-based methods show that around 70% of the arsenic is determined with these methods in comparison to volatile arsenic determination using GC-ICP-MS. Furthermore, an inter-laboratory- and inter-method comparison was performed using silver nitrate impregnated silica tubes on 14 different gas samples with concentrations varying from below 1 to 1000 μg As/m 3 natural gas. The results obtained from the two laboratories differ in a range of 10 to 60%, but agree within the order of magnitude, which is satisfactory for our purposes

  4. Field-induced magnetic instability within a superconducting condensate

    DEFF Research Database (Denmark)

    Mazzone, Daniel Gabriel; Raymond, Stephane; Gavilano, Jorge Luis

    2017-01-01

    The application of magnetic fields, chemical substitution, or hydrostatic pressure to strongly correlated electron materials can stabilize electronic phases with different organizational principles. We present evidence for a fieldinduced quantum phase transition, in superconducting Nd0.05Ce0.95Co...... that the magnetic instability is not magnetically driven, and we propose that it is driven by a modification of superconducting condensate at H*.......In5, that separates two antiferromagnetic phases with identical magnetic symmetry. At zero field, we find a spin-density wave that is suppressed at the critical field mu H-0* = 8 T. For H > H*, a spin-density phase emerges and shares many properties with the Q phase in CeCoIn5. These results suggest...

  5. Non-stationary filtration mode during chemical reactions with the gas phase

    Science.gov (United States)

    Zavialov, Ivan; Konyukhov, Andrey; Negodyaev, Sergey

    2015-04-01

    An experimental and numerical study of filtration accompanied by chemical reactions between displacing fluid and solid skeleton is considered. Glass balls (400-500 μm in diameter) were placed in 1 cm gap between two glass sheets and were used as model porous medium. The baking soda was added to the glass balls. The 70% solution of acetic acid was used as the displacer. The modeling porous medium was saturated with a mineral oil, and then 70% solution of colored acetic acid was pumped through the medium. The glass balls and a mineral oil have a similar refractive index, so the model porous medium was optically transparent. During the filtration, the gas phase was generated by the chemical reactions between the baking soda and acetic acid, and time-dependent displacement of the chemical reaction front was observed. The front of the chemical reaction was associated with the most intensive gas separation. The front moved, stopped, and then moved again to the area where it had been already. We called this process a secondary oxidation wave. To describe this effect, we added to the balance equations a term associated with the formation and disappearance of phases due to chemical reactions. The equations were supplemented by Darcy's law for multiphase filtration. Nonstationarity front propagation of the chemical reaction in the numerical experiment was observed at Damköhler numbers greater than 100. The mathematical modelling was agreed well with the experimental results.

  6. 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...

  7. 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)

  8. Mathematical model of phase transformations in thermo-chemical cathodes with zirconium insertion

    International Nuclear Information System (INIS)

    Kavokin, A.A.; Kazmi, I.H.

    2007-01-01

    The mathematical model of thermo-chemical processes in the cathode of plasmatron working in the gas environment is investigated. The model describes electromagnetic, temperature and concentration fields taking into account kinetic of phase transformation and chemical reaction in accordance with a state diagram. The offered approach is simpler than the Stefan's approach of describing an analogical phase transformation. As an example the case of copper cathodes with the zirconium insertion in the environment of oxygen is considered. The influence of separate parts of process on distribution of temperature inside of the insertion is estimated. On the basis of this analysis the opportunity of use of stationary approach for electric and temperature fields is shown and analytical formulas for temperature are received. After that a numerical solution for gas concentration distribution is obtained. The calculations on the specified model show that the size of area of a phase zirconium oxides depends mainly upon coefficient of diffusion of oxygen. The calculations for various types of dependencies of gas diffusion coefficient from temperature are concluded. The results of calculations develop understanding of some features of oxidation process of a zirconium insertion. Typical example of multi phase process model is the mathematical description of a heat and mass transfer occurring in metal which is being heated by an electric arch in the gas medium (1, 2, 4). The macroscopic model of physical and chemical transformations can be described as follows (3). As a metal is heated on the surface of an electrode as a function of rising results in the border dividing solid and liquid phases moves ahead deep into the electrode. At the same time there is a diffusion of gas in electrode and formation of new chemical compounds which can noticeably differ in the physical and chemical properties from each other and metal of the electrode. Moreover we shall name a phase of substance not

  9. 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.

  10. ANALYTIC APPROXIMATION OF CARBON CONDENSATION ISSUES IN TYPE II SUPERNOVAE

    Energy Technology Data Exchange (ETDEWEB)

    Clayton, Donald D., E-mail: claydonald@gmail.com [Department of Physics and Astronomy, Clemson University, Clemson, SC (United States)

    2013-01-01

    I present analytic approximations for some issues related to condensation of graphite, TiC, and silicon carbide in oxygen-rich cores of supernovae of Type II. Increased understanding, which mathematical analysis can support, renders researchers more receptive to condensation in O-rich supernova gases. Taking SN 1987A as typical, my first analysis shows why the abundance of CO molecules reaches an early maximum in which free carbon remains more abundant than CO. This analysis clarifies why O-rich gas cannot oxidize C if {sup 56}Co radioactivity is as strong as in SN 1987A. My next analysis shows that the CO abundance could be regarded as being in chemical equilibrium if the CO molecule is given an effective binding energy rather than its laboratory dissociation energy. The effective binding energy makes the thermal dissociation rate of CO equal to its radioactive dissociation rate. This preserves possible relevance for the concept of chemical equilibrium. My next analysis shows that the observed abundances of CO and SiO molecules in SN 1987A rule out frequent suggestions that equilibrium condensation of SUNOCONs has occurred following atomic mixing of the He-burning shell with more central zones in such a way as to reproduce roughly the observed spectrum of isotopes in SUNOCONs while preserving C/O > 1. He atoms admixed along with the excess carbon would destroy CO and SiO molecules, leaving their observed abundances unexplained. The final analysis argues that a chemical quasiequilibrium among grains (but not gas) may exist approximately during condensation, so that its computational use is partially justified as a guide to which mineral phases would be stable against reactions with gas. I illustrate this point with quasiequilibrium calculations by Ebel and Grossman that have shown that graphite is stable even when O/C >1 if prominent molecules are justifiably excluded from the calculation of chemical equilibrium.

  11. 125IdUrd-induced chromosome fragments, assayed by premature chromosome condensation, and DNA double-strand breaks have similar repair kinetics in G1-phase CHO-cells

    International Nuclear Information System (INIS)

    Iliakis, George; Pantelias, G.E.; Okayasu, Ryuichi; Seaner, Robert

    1987-01-01

    The effect of 125 I-decay on cell lethality, and induction of chromosome and DNA damage, was studied in synchronous non-cycling, G 1 -phase CHO-cells. Neutral filter elution was used to assay repair of DNA double-strand breaks (dsbs), and premature chromosome condensation was used to assay repair of chromosome fragments and induction of ring chromosomes. The results indicate very little repair at the cell survival level (repair of PLD). At the DNA level an efficient repair of DNA dsbs was observed, with kinetics similar to those observed after exposure to X-rays. At the chromosome level a fast repair of prematurely condensed chromosome fragments was observed, with a concomitant increase in the number of ring chromosomes induced. The repair kinetics of chromosome fragments and DNA dsbs were very similar, suggesting that DNA dsbs may underlie chromosome fragmentation. (author)

  12. Humidity independent mass spectrometry for gas phase chemical analysis via ambient proton transfer reaction.

    Science.gov (United States)

    Zhu, Hongying; Huang, Guangming

    2015-03-31

    In this work, a humidity independent mass spectrometric method was developed for rapid analysis of gas phase chemicals. This method is based upon ambient proton transfer reaction between gas phase chemicals and charged water droplets, in a reaction chamber with nearly saturate humidity under atmospheric pressure. The humidity independent nature enables direct and rapid analysis of raw gas phase samples, avoiding time- and sample-consuming sample pretreatments in conventional mass spectrometry methods to control sample humidity. Acetone, benzene, toluene, ethylbenzene and meta-xylene were used to evaluate the analytical performance of present method. The limits of detection for benzene, toluene, ethylbenzene and meta-xylene are in the range of ∼0.1 to ∼0.3 ppbV; that of benzene is well below the present European Union permissible exposure limit for benzene vapor (5 μg m(-3), ∼1.44 ppbV), with linear ranges of approximately two orders of magnitude. The majority of the homemade device contains a stainless steel tube as reaction chamber and an ultrasonic humidifier as the source of charged water droplets, which makes this cheap device easy to assemble and facile to operate. In addition, potential application of this method was illustrated by the real time identification of raw gas phase chemicals released from plants at different physiological stages. Copyright © 2015 Elsevier B.V. All rights reserved.

  13. QCD under extreme conditions. Inhomogeneous condensation

    Energy Technology Data Exchange (ETDEWEB)

    Heinz, Achim

    2014-10-15

    Almost 40 years after the first publication on the phase diagram of quantum chromodynamics (QCD) big progress has been made but many questions are still open. This work covers several aspects of low-energy QCD and introduces advanced methods to calculate selected parts of the QCD phase diagram. Spontaneous chiral symmetry breaking as well as its restoration is a major aspect of QCD. Two effective models, the Nambu-Jona-Lasinio (NJL) model and the linear σ-model, are widely used to describe the QCD chiral phase transition. We study the large-N{sub c} behavior of the critical temperature T{sub c} for chiral symmetry restoration in the framework of both models. While in the NJL model T{sub c} is independent of N{sub c} (and in agreement with the expected QCD scaling), the scaling behavior in the linear σ-model reads T{sub c} ∝ N{sup 1/2}{sub c}. However, this mismatch can be corrected: phenomenologically motivated temperature-dependent parameters or the extension with the Polyakov-loop renders the scaling in the linear σ-model compatible with the QCD scaling. The requirement that the chiral condensate which is the order parameter of the chiral symmetry is constant in space is too restrictive. Recent studies on inhomogeneous chiral condensation in cold, dense quark matter suggest a rich crystalline structure. These studies feature models with quark degrees of freedom. In this thesis we investigate the formation of the chiral density wave (CDW) in the framework of the so-called extended linear sigma model (eLSM) at high densities and zero temperature. The eLSM is a modern development of the linear σ-model which contains scalar, pseudoscalar, vector, as well as axial-vector mesons, and in addition, a light tetraquark state. The nucleon and its chiral partner are introduced as parity doublets in the mirror assignment. The model describes successfully the vacuum phenomenology and nuclear matter ground-state properties. As a result we find that an inhomogeneous phase

  14. The phase-resolved photoacoustic method to indicate chemical assignments of paracetamol

    Science.gov (United States)

    Camilotti, J. G.; Somer, A.; Costa, G. F.; Ribeiro, M. A.; Bonardi, C.; Cruz, G. K.; Gómez, S. L.; Beltrame, F. L.; Medina, A. N.; Sato, F.; Astrath, N. G. C.; Novatski, A.

    2014-03-01

    In this work, the phase-resolved photoacoustic method was applied to provide specific information on the chemical assignments of paracetamol in the near-infrared region. Two broad bands, centered at 1370 and 1130 nm, were well-resolved using this method, making it possible to assign the peaks centered at 1398, 1355 and 1295 nm to a C-H combination from a CH3 structure and the peak at 1305 nm to a C-H combination from the aromatic ring. This information represents a new finding in chemical studies regarding this medicament.

  15. Gas-Phase Molecular Dynamics: Theoretical Studies in Spectroscopy and Chemical Dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Yu, H.G.; Muckerman, J.T.

    2010-06-01

    The goal of this program is the development and application of computational methods for studying chemical reaction dynamics and molecular spectroscopy in the gas phase. We are interested in developing rigorous quantum dynamics algorithms for small polyatomic systems and in implementing approximate approaches for complex ones. Particular focus is on the dynamics and kinetics of chemical reactions and on the rovibrational spectra of species involved in combustion processes. This research also explores the potential energy surfaces of these systems of interest using state-of-the-art quantum chemistry methods.

  16. Performance of evaporative condensers

    Energy Technology Data Exchange (ETDEWEB)

    Ettouney, Hisham M.; El-Dessouky, Hisham T.; Bouhamra, Walid; Al-Azmi, Bader

    2001-07-01

    Experimental investigation is conducted to study the performance of evaporative condensers/coolers. The analysis includes development of correlations for the external heat transfer coefficient and the system efficiency. The evaporative condenser includes two finned-tube heat exchangers. The system is designed to allow for operation of a single condenser, two condensers in parallel, and two condensers in series. The analysis is performed as a function of the water-to-air mass flow rate ratio (L/G) and the steam temperature. Also, comparison is made between the performance of the evaporative condenser and same device as an air-cooled condenser. Analysis of the collected data shows that the system efficiency increases at lower L/G ratios and higher steam temperatures. The system efficiency for various configurations for the evaporative condenser varies between 97% and 99%. Lower efficiencies are obtained for the air-cooled condenser, with values between 88% and 92%. The highest efficiency is found for the two condensers in series, followed by two condensers in parallel and then the single condenser. The parallel condenser configuration can handle a larger amount of inlet steam and can provide the required system efficiency and degree of subcooling. The correlation for the system efficiency gives a simple tool for preliminary system design. The correlation developed for the external heat transfer coefficient is found to be consistent with the available literature data. (Author)

  17. Vortices in a rotating dark matter condensate

    International Nuclear Information System (INIS)

    Yu, Rotha P; Morgan, Michael J

    2002-01-01

    We examine vortices in a self-gravitating dark matter Bose-Einstein condensate (BEC), consisting of ultra-low mass scalar bosons that arise during a late-time cosmological phase transition. Rotation of the dark matter BEC imprints a background phase gradient on the condensate, which establishes a harmonic trap potential for vortices. A numerical simulation of vortex dynamics shows that the vortex number density, n v ∝ r -1 , resulting in a flat velocity profile for the dark matter condensate. (letter to the editor)

  18. Selected readings in chemical kinetics

    CERN Document Server

    Back, Margaret H

    2013-01-01

    Selected Readings in Chemical Kinetics covers excerpts from 12 papers in the field of general and gas-phase kinetics. The book discusses papers on the laws of connexion between the conditions of a chemical change and its amount; on the reaction velocity of the inversion of the cane sugar by acids; and the calculation in absolute measure of velocity constants and equilibrium constants in gaseous systems. The text then tackles papers on simple gas reactions; on the absolute rate of reactions in condensed phases; on the radiation theory of chemical action; and on the theory of unimolecular reacti

  19. The Effect of Capillary Number on a Condensate Blockage in Gas Condensate Reservoirs

    OpenAIRE

    Saifon DAUNGKAEW; Alain C GRINGARTEN

    2004-01-01

    In the petroleum industry, gas condensate reservoirs are becoming more common as exploration targets. However, there is a lack of knowledge of the reservoir behaviour mainly due to its complexity in the near wellbore region, where two phases, i.e. reservoir gas and condensate coexist when the wellbore pressure drops below the dew point pressure. The condensation process causes a reduction of the gas productivity (1). It has been reported in the literature that there is an increasing gas mobil...

  20. Chemical behavior of tungsten trifluorophosphines following neutron activation

    International Nuclear Information System (INIS)

    Bottomley, L.D.; Clark, R.J.

    1988-01-01

    The chemical reactions that follow neutron capture have been studied for a series of tungsten trifluorophosphine carbonyls. The molecular distribution of 187 W was determined by gas chromatographic separation using scintillation detection. The chemical behavior of these compounds was examined in the condensed phase and the gas phase, both with and without excess PF 3 or CO. The retention of the parent species was measured as well as the formation of any scrambled species W(PF 3 ) x (CO) 6-x in all experiments. The results of irradiations done in condensed phase with no excess ligands were modeled by a Simplex iterative routine to calculate the distribution of recoil fragments. (orig.)

  1. In Situ Environmental TEM in Imaging Gas and Liquid Phase Chemical Reactions for Materials Research.

    Science.gov (United States)

    Wu, Jianbo; Shan, Hao; Chen, Wenlong; Gu, Xin; Tao, Peng; Song, Chengyi; Shang, Wen; Deng, Tao

    2016-11-01

    Gas and liquid phase chemical reactions cover a broad range of research areas in materials science and engineering, including the synthesis of nanomaterials and application of nanomaterials, for example, in the areas of sensing, energy storage and conversion, catalysis, and bio-related applications. Environmental transmission electron microscopy (ETEM) provides a unique opportunity for monitoring gas and liquid phase reactions because it enables the observation of those reactions at the ultra-high spatial resolution, which is not achievable through other techniques. Here, the fundamental science and technology developments of gas and liquid phase TEM that facilitate the mechanistic study of the gas and liquid phase chemical reactions are discussed. Combined with other characterization tools integrated in TEM, unprecedented material behaviors and reaction mechanisms are observed through the use of the in situ gas and liquid phase TEM. These observations and also the recent applications in this emerging area are described. The current challenges in the imaging process are also discussed, including the imaging speed, imaging resolution, and data management. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  2. Chemical and phase composition of powders obtained by electroerosion dispersion from alloys WC-Co

    International Nuclear Information System (INIS)

    Putintseva, M.N.

    2004-01-01

    A consideration is given to the dependence of chemical and phase compositions of dispersed powders on the conditions, the medium of electroerosion dispersing and the content of cobalt in an initial alloy. It is shown that dissociation of carbon from tungsten carbide proceeds even on dispersing in liquid hydrocarbon-containing media (kerosene and machine oil). The phase composition is determined to a large extent by a medium of dispersing and a cobalt content in the initial alloy. In all powders complex tungsten-cobalt carbides and even Co 7 W 6 intermetallic compounds are found [ru

  3. Chemical and Phase Composition of Powders Obtained by Electroerosion Dispersion from WC - Co Alloys

    Science.gov (United States)

    Putintseva, M. N.

    2004-03-01

    The dependence of the chemical and phase composition of dispersed powders on the mode and medium of electroerosion dispersion and the content of cobalt in the initial alloy is considered. It is shown that the dissociation of carbon from tungsten carbide occurs even in dispersion in liquid hydrocarbon-bearing media (kerosene and industrial oils). The phase composition is primarily determined by the dispersion medium and the content of cobalt in the initial alloy. Compound tungsten-cobalt carbides and even a Co7W6 intermetallic are determined in all the powders.

  4. Scattering of atoms on a Bose-Einstein condensate

    International Nuclear Information System (INIS)

    Poulsen, Uffe V.; Moelmer, Klaus

    2003-01-01

    We study the scattering properties of a Bose-Einstein condensate held in a finite depth well when the incoming particles are identical to the ones in the condensate. We calculate phase shifts and corresponding transmission and reflection coefficients, and we show that the transmission times can be negative, i.e., the atomic wave packet seemingly leaves the condensate before it arrives

  5. Interference of an array of independent Bose-Einstein condensates

    International Nuclear Information System (INIS)

    Hadzibabic, Zoran; Stock, Sabine; Battelier, Baptiste; Bretin, Vincent; Dalibard, Jean

    2004-01-01

    We have observed high-contrast matter wave interference between 30 Bose-Einstein condensates with uncorrelated phases. Interferences were observed after the independent condensates were released from a one-dimensional optical lattice and allowed to overlap. This phenomenon is explained with a simple theoretical model, which generalizes the analysis of the interference of two condensates

  6. Quark mass correction to chiral separation effect and pseudoscalar condensate

    Energy Technology Data Exchange (ETDEWEB)

    Guo, Er-dong [State Key Laboratory of Theoretical Physics, Institute of Theoretical Physics,Chinese Academy of Sciences,Beijing 100190 (China); Kavli Institute of Theoretical Physics China, Chinese Academy of Sciences,Beijing 100190 (China); Lin, Shu [School of Physics and Astronomy, Sun Yat-Sen University,No 2 University Road, Zhuhai 519082 (China)

    2017-01-25

    We derived an analytic structure of the quark mass correction to chiral separation effect (CSE) in small mass regime. We confirmed this structure by a D3/D7 holographic model study in a finite density, finite magnetic field background. The quark mass correction to CSE can be related to correlators of pseudo-scalar condensate, quark number density and quark condensate in static limit. We found scaling relations of these correlators with spatial momentum in the small momentum regime. They characterize medium responses to electric field, inhomogeneous quark mass and chiral shift. Beyond the small momentum regime, we found existence of normalizable mode, which possibly leads to formation of spiral phase. The normalizable mode exists beyond a critical magnetic field, whose magnitude decreases with quark chemical potential.

  7. Numerical modeling of counter-current condensation in a Black Liquor Gasification plant

    International Nuclear Information System (INIS)

    Risberg, Mikael; Gebart, Rikard

    2013-01-01

    Pressurized Entrained flow High Temperature Black Liquor Gasification is a novel technique to recover the inorganic chemicals and available energy in black liquor originating from kraft pulping. The gasifier has a direct quench that quickly cools the raw syngas when it leaves the hot reactor by spraying the gas with a water solution. As a result, the raw syngas becomes saturated with steam. Typically the gasifier operates at 30 bar which corresponds to a dew point of about 235 °C and a steam concentration in the saturated syngas that is about 3 times higher than the total concentration of the other species in the syngas. After the quench cooler the syngas is passed through a counter-current condenser where the raw syngas is cooled and most of the steam is condensed. The condenser consists of several vertical tubes where reflux condensation occurs inside the tubes due to water cooling of the tubes on the shell-side. A large part of the condensation takes place inside the tubes on the wall and results in a counterflow of water driven by gravity through the counter current condenser. In this study a computational fluid dynamics model is developed for the two-phase fluid flow on the tube-side of the condenser and for the single phase flow of the shell-side. The two-phase flow was treated using an Euler–Euler formulation with closure correlations for heat flux, condensation rate and pressure drop inside the tubes. The single-phase model for the shell side uses closure correlations for the heat flux and pressure drop. Predictions of the model are compared with results from experimental measurements in a condenser used in a 3 MW Black Liquor Gasification development plant. The results are in good agreement with the limited experimental data that has been collected in the experimental gasifier. However, more validation data is necessary before a definite conclusion can be drawn about the predictive capability of the code. -- Highlights: • A multi-phase model for a

  8. Assessment of the physico-chemical properties of phases in the Na-U-Pu-O system

    International Nuclear Information System (INIS)

    Kleykamp, H.

    1990-05-01

    A critical review is given on the physico-chemical properties of phases in the Na-O, Na-U-O, Na-Pu-O and Na-U-Pu-O systems. This includes the phase diagrams as well as the crystallographic, mechanical, thermal, thermodynamic, transport, optical and chemical properties. This data is to be used for the modelling of the thermal, mechanical and chemical behaviour of defective LMFBR mixed oxide pins during and after reactor operation. (orig.) [de

  9. Dense baryon matter with isospin and chiral imbalance in the framework of a NJL4 model at large Nc: Duality between chiral symmetry breaking and charged pion condensation

    Science.gov (United States)

    Khunjua, T. G.; Klimenko, K. G.; Zhokhov, R. N.

    2018-03-01

    In this paper the phase structure of dense quark matter has been investigated at zero temperature in the presence of baryon, isospin and chiral isospin chemical potentials in the framework of massless (3 +1 )-dimensional Nambu-Jona-Lasinio model with two quark flavors. It has been shown that in the large-Nc limit (Nc is the number of colors of quarks) there exists a duality correspondence between the chiral symmetry breaking phase and the charged pion condensation one. The key conclusion of our studies is the fact that chiral isospin chemical potential generates charged pion condensation in dense quark matter with isotopic asymmetry.

  10. Mechanisms of gas phase decomposition of C-nitro compounds from quantum chemical data

    International Nuclear Information System (INIS)

    Khrapkovskii, Grigorii M; Shamov, Alexander G; Nikolaeva, E V; Chachkov, D V

    2009-01-01

    Data on the mechanisms of gas-phase monomolecular decomposition of nitroalkanes, nitroalkenes and nitroarenes obtained using modern quantum chemical methods are described systematically. The attention is focused on the discussion of multistage decomposition of nitro compounds to elementary experimentally observed products. Characteristic features of competition of different mechanisms and the effect of molecular structure on the change in the Arrhenius parameters of the primary reaction step are considered.

  11. Mechanisms of gas phase decomposition of C-nitro compounds from quantum chemical data

    Energy Technology Data Exchange (ETDEWEB)

    Khrapkovskii, Grigorii M; Shamov, Alexander G; Nikolaeva, E V; Chachkov, D V [Kazan State Technological University, Kazan (Russian Federation)

    2009-10-31

    Data on the mechanisms of gas-phase monomolecular decomposition of nitroalkanes, nitroalkenes and nitroarenes obtained using modern quantum chemical methods are described systematically. The attention is focused on the discussion of multistage decomposition of nitro compounds to elementary experimentally observed products. Characteristic features of competition of different mechanisms and the effect of molecular structure on the change in the Arrhenius parameters of the primary reaction step are considered.

  12. Phase distribution of ecologically controlled chemical elements in production of extraction phosphoric acid

    International Nuclear Information System (INIS)

    Kazak, V.G.; Agnelov, A.I.; Zajtsev, P.M.

    1995-01-01

    Content of 16 ecologically controlled chemical element (among them Cd, Sr, Th, U, V, Y) in solid and liquid phases of extraction phosphorus acid (EPA) production is determined. These elements are recommended to control by Scientific research institute of human ecology and environment to establish their extraction coefficients to phosphogypsum and EPA and optimal variant of production of ecologically sate phosphorus fertilizers. X-ray fluorescent, atomic-absorption and polarographic methods are used for analysis these elements

  13. Demonstration of Nautilus Centripetal Capillary Condenser Technology

    Science.gov (United States)

    Wheeler, RIchard; Tang, Linh; Wambolt, Spencer; Golliher, Eric; Agui, Juan

    2016-01-01

    This paper describes the results of a proof of concept effort for development of a Nautilus Centripetal Capillary Condenser (NCCC or NC3) used for microgravity compatible water recovery from moist air with integral passive phase separation. Removal of liquid condensate from the air stream exiting a condenser is readily performed here on Earth. In order to perform this function in space however, without gravity or mechanical action, other tactics including utilization of inertial, drag and capillary forces are required. Within the NC3, liquid water forms via condensation on cold condenser surfaces as humid air passes along multiple spiral channels, each in its own plane, all together forming a stacked plate assembly. Non-mechanical inertial forces are employed to transfer condensate, as it forms, via centripetal action to the outer perimeter of each channel. A V-shaped groove, constructed on this outer edge of the spiral channel, increases local capillary forces thereby retaining the liquid. Air drag then pulls the liquid along to a collection region near the center of the device. Dry air produced by each parallel spiral channel is combined in a common orthogonal, out-of-plane conduit passing down the axial center of the stacked device. Similarly, the parallel condensate streams are combined and removed from the condenser/separator through yet another out-of-plane axial conduit. NC3 is an integration of conventional finned condenser operation, combined with static phase separation and capillary transport phenomena. A Mars' transit mission would be a logical application for this technology where gravity is absent and the use of vibrating, energy-intensive, motor-driven centrifugal separators is undesired. Here a vapor stream from either the Heat Melt Compactor or the Carbon dioxide Reduction Assembly, for example, would be dried to a dew point of 10 deg using a passive NC3 condenser/separator with the precious water condensate recycled to the water bus.

  14. The chiral phase transition for two-flavour QCD at imaginary and zero chemical potential

    CERN Document Server

    Bonati, Claudio; de Forcrand, Philippe; Philipsen, Owe; Sanfillippo, Francesco

    2013-01-01

    The chiral symmetry of QCD with two massless quark flavours gets restored in a non-analytic chiral phase transition at finite temperature and zero density. Whether this is a first-order or a second-order transition has not yet been determined unambiguously, due to the difficulties of simulating light quarks. We investigate the nature of the chiral transition as a function of quark mass and imaginary chemical potential, using staggered fermions on N_t=4 lattices. At sufficiently large imaginary chemical potential, a clear signal for a first-order transition is obtained for small masses, which weakens with decreasing imaginary chemical potential. The second-order critical line m_c(mu_i), which marks the boundary between first-order and crossover behaviour, extrapolates to a finite m_c(mu_i=0) with known critical exponents. This implies a definitely first-order transition in the chiral limit on relatively coarse, N_t=4 lattices.

  15. Depth distribution of chemical phase concentration determined by grazing incidence X-ray diffraction

    International Nuclear Information System (INIS)

    Novak, P.; Ballo, P.; Dobrocka, E.; Vallo, M.; Lalinsky, T.

    2013-01-01

    Grazing incidence geometry is widely used in X-ray diffraction analysis of thin films. Penetration depth of radiation can be easily changed by an appropriate selection of the angle of incidence α that enables obtaining information from different depths of the sample. This depth can be decreased up to a nanometer scale by approaching the critical angle α_c for total external reflection. This method therefore provides an efficient tool for the analysis of depth distribution of various structural properties, such as the crystallite size, the amorphous fraction, stress or the concentration of chemical phase. However, absorption of the radiation can be characterized by an average attenuation coefficient μ a special care has to be paid to the last property. Variation of chemical phase concentration with depth usually results in depth dependence on the attenuation coefficient. In this contribution a method for determination of depth distribution of a chemical phase is outlined. The method correctly takes into account the depth variation of the attenuation coefficient. The method is tested on thin oxidized Ir layers. The aim of this paper is a comparison two simple model cases with the experimental results. (authors)

  16. Uptake rate constants and partition coefficients for vapor phase organic chemicals using semipermeable membrane devices (SPMDs)

    Science.gov (United States)

    Cranor, W.L.; Alvarez, D.A.; Huckins, J.N.; Petty, J.D.

    2009-01-01

    To fully utilize semipermeable membrane devices (SPMDs) as passive samplers in air monitoring, data are required to accurately estimate airborne concentrations of environmental contaminants. Limited uptake rate constants (kua) and no SPMD air partitioning coefficient (Ksa) existed for vapor-phase contaminants. This research was conducted to expand the existing body of kinetic data for SPMD air sampling by determining kua and Ksa for a number of airborne contaminants including the chemical classes: polycyclic aromatic hydrocarbons, organochlorine pesticides, brominated diphenyl ethers, phthalate esters, synthetic pyrethroids, and organophosphate/organosulfur pesticides. The kuas were obtained for 48 of 50 chemicals investigated and ranged from 0.03 to 3.07??m3??g-1??d-1. In cases where uptake was approaching equilibrium, Ksas were approximated. Ksa values (no units) were determined or estimated for 48 of the chemicals investigated and ranging from 3.84E+5 to 7.34E+7. This research utilized a test system (United States Patent 6,877,724 B1) which afforded the capability to generate and maintain constant concentrations of vapor-phase chemical mixtures. The test system and experimental design employed gave reproducible results during experimental runs spanning more than two years. This reproducibility was shown by obtaining mean kua values (n??=??3) of anthracene and p,p???-DDE at 0.96 and 1.57??m3??g-1??d-1 with relative standard deviations of 8.4% and 8.6% respectively.

  17. Condensation induced non-condensable accumulation in a non-vented horizontal pipe connected with an elbow and a vertical pipe

    International Nuclear Information System (INIS)

    Stevanovic, V.D.; Stosic, Z.V.; Stoll, U.

    2005-01-01

    In this paper the radiolytic gases (hydrogen and oxygen) accumulation is investigated numerically for the pipe geometry consisting of a horizontal pipe closed at one end, and connected via a downward directed elbow with a vertical pipe open at its bottom end. This configuration is a typical part of many pipeline systems or measuring lines. The steam inside the pipes is condensed due to heat losses to the surrounding atmosphere, the condensate is drained and the concentration of the remaining noncondensable radiolytic gases is increased. Three dimensional numerical simulations are performed with the thermal-hydraulic and physico-chemical code HELIO, especially developed for the simulation and analyses of radiolytic gases accumulation in pipelines. The HELIO code model is based on the mass, momentum and energy conservation equations for the gas mixture and wall condensate film flow, as well as on the transport equations for non-condensable diffusion and convection. At the liquid film surface, the phases are coupled through the no-slip velocity condition and the mass transfer due to steam condensation and non-condensable absorption and degassing. Obtained numerical results show the gas mixture and condensate liquid film flow fields. In case of here analyzed geometry, the gas mixture circulates in the elbow and the horizontal pipe due to buoyancy forces induced by concentration and related density differences. The circulation flow prevents the formation of the radiolytic gases concentration front. The non-condensable radiolytic gases are transported from the pipe through the open end by the mechanisms of diffusion and convection. The analyzed geometry is the same as in case of venting pipe mounted on the steam pipeline. The results are of practical importance since they show that radiolytic gases accumulation does not occur in the geometry of the venting pipes. (authors)

  18. Phase Equilibrium of TiO2 Nanocrystals in Flame-Assisted Chemical Vapor Deposition.

    Science.gov (United States)

    Liu, Changran; Camacho, Joaquin; Wang, Hai

    2018-01-19

    Nano-scale titanium oxide (TiO 2 ) is a material useful for a wide range of applications. In a previous study, we showed that TiO 2 nanoparticles of both rutile and anatase crystal phases could be synthesized over the size range of 5 to 20 nm in flame-assisted chemical vapor deposition. Rutile was unexpectedly dominant in oxygen-lean synthesis conditions, whereas anatase is the preferred phase in oxygen-rich gases. The observation is in contrast to the 14 nm rutile-anatase crossover size derived from the existing crystal-phase equilibrium model. In the present work, we made additional measurements over a wider range of synthesis conditions; the results confirm the earlier observations. We propose an improved model for the surface energy that considers the role of oxygen desorption at high temperatures. The model successfully explains the observations made in the current and previous work. The current results provide a useful path to designing flame-assisted chemical vapor deposition of TiO 2 nanocrystals with controllable crystal phases. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  19. Field electron emission characteristics of chemical vapour deposition diamond films with controlled sp2 phase concentration

    International Nuclear Information System (INIS)

    Lu, X.; Yang, Q.; Xiao, C.; Hirose, A.

    2008-01-01

    Diamond films were synthesized in a microwave plasma-enhanced chemical vapour deposition reactor. The microstructure and surface morphology of deposited films were characterized by Raman spectroscope and scanning electron microscope. The sp 2 phase concentration in diamond films was varied and its effect on the field electron emission (FEE) properties was investigated. Diamond films deposited under higher methane concentration exhibit better FEE property including lower turn-on electric field and larger emission current. The predominating factor modifying the FEE property is presumed to be the increase of sp 2 phase concentration. The influence of bias voltage on the FEE property of diamond films is not monotonic. Postgrowth acid treatment reduces the sp 2 phase content in diamond films without changing diamond grain sizes. The corresponding FEE property was degraded

  20. Condensation of steam

    International Nuclear Information System (INIS)

    Prisyazhniuk, V.A.

    2002-01-01

    An equation for nucleation kinetics in steam condensation has been derived, the equation taking into account the concurrent and independent functioning of two nucleation mechanisms: the homogeneous one and the heterogeneous one. The equation is a most general-purpose one and includes all the previously known condensation models as special cases. It is shown how the equation can be used in analyzing the process of steam condensation in the condenser of an industrial steam-turbine plant, and in working out new ways of raising the efficiency of the condenser, as well as of the steam-turbine plant as a whole. (orig.)

  1. Low pressure lithium condensation

    International Nuclear Information System (INIS)

    Wadkins, R.P.; Oh, C.H.

    1985-01-01

    A low pressure experiment to evaluate the laminar film condensation coefficients of lithium was conducted. Some thirty-six different heat transfer tests were made at system pressures ranging from 1.3 to 26 Pa. Boiled lithium was condensed on the inside of a 7.6-cm (ID), 409 stainless-steel pipe. Condensed lithium was allowed to reflux back to the pool boiling region below the condensing section. Fourteen chromel/alumel thermocouples were attached in various regions of the condensing section. The thermocouples were initially calibrated with errors of less than one degree Celsius

  2. Conditions for maximum isolation of stable condensate during separation in gas-condensate systems

    Energy Technology Data Exchange (ETDEWEB)

    Trivus, N.A.; Belkina, N.A.

    1969-02-01

    A thermodynamic analysis is made of the gas-liquid separation process in order to determine the relationship between conditions of maximum stable condensate separation and physico-chemical nature and composition of condensate. The analysis was made by considering the multicomponent gas-condensate fluid produced from Zyrya field as a ternary system, composed of methane, an intermediate component (propane and butane) and a heavy residue, C/sub 6+/. Composition of 5 ternary systems was calculated for a wide variation in separator conditions. At each separator pressure there is maximum condensate production at a certain temperature. This occurs because solubility of condensate components changes with temperature. Results of all calculations are shown graphically. The graphs show conditions of maximum stable condensate separation.

  3. 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)

  4. Condensate fraction in superfluid 4He

    International Nuclear Information System (INIS)

    Olinto, A.C.

    1986-01-01

    Recently, a relationship between the chemical potential and the condensate fraction η o (T) has been derived for all temperatures in the superfluid region. An analysis of liquid 4 He chemical potential data yields η o (T=0) = 0.062 and η o (T) is in excellent with the empirical results of Svensson, Sears, and Griffin. (Autor) [pt

  5. 40 CFR 721.10146 - Partially fluorinated condensation polymer (generic).

    Science.gov (United States)

    2010-07-01

    ... polymer (generic). 721.10146 Section 721.10146 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY... Specific Chemical Substances § 721.10146 Partially fluorinated condensation polymer (generic). (a) Chemical... as partially fluorinated condensation polymer (PMN P-07-87) is subject to reporting under this...

  6. Effect of finite chemical potential on QGP-hadron phase transition in a statistical model of fireball formation

    International Nuclear Information System (INIS)

    Ramanathan, R.; Singh, S.S.; Jha, A.K.; Gupta, K.K.

    2011-01-01

    We study the effect of finite chemical potential for the QGP constituents in the Ramanathan et al. statistical model. While the earlier computations using this model with vanishing chemical potentials indicated a weakly first order phase transition for the system in the vicinity of 170 MeV, the introduction of finite values for the chemical potentials of the constituents makes the transition a smooth roll over of the phases, while allowing fireball formation with radius of a few 'fermi' to take place. This seems to be in conformity with the latest consensus on the nature of the QGP-Hadron phase transition. (author)

  7. A novel perovskite oxide chemically designed to show multiferroic phase boundary with room-temperature magnetoelectricity

    Science.gov (United States)

    Fernández-Posada, Carmen M.; Castro, Alicia; Kiat, Jean-Michel; Porcher, Florence; Peña, Octavio; Algueró, Miguel; Amorín, Harvey

    2016-09-01

    There is a growing activity in the search of novel single-phase multiferroics that could finally provide distinctive magnetoelectric responses at room temperature, for they would enable a range of potentially disruptive technologies, making use of the ability of controlling polarization with a magnetic field or magnetism with an electric one (for example, voltage-tunable spintronic devices, uncooled magnetic sensors and the long-searched magnetoelectric memory). A very promising novel material concept could be to make use of phase-change phenomena at structural instabilities of a multiferroic state. Indeed, large phase-change magnetoelectric response has been anticipated by a first-principles investigation of the perovskite BiFeO3-BiCoO3 solid solution, specifically at its morphotropic phase boundary between multiferroic polymorphs of rhombohedral and tetragonal symmetries. Here, we report a novel perovskite oxide that belongs to the BiFeO3-BiMnO3-PbTiO3 ternary system, chemically designed to present such multiferroic phase boundary with enhanced ferroelectricity and canted ferromagnetism, which shows distinctive room-temperature magnetoelectric responses.

  8. Effect of dimethylamine on the gas phase sulfuric acid concentration measured by Chemical Ionization Mass Spectrometry

    CERN Document Server

    Rondo, L.; Kürten, A.; Adamov, A.; Bianchi, F.; Breitenlechner, M.; Duplissy, J.; Franchin, A.; Dommen, J.; Donahue, N. M.; Dunne, E. M.; Flagan, R. C.; Hakala, J.; Hansel, A.; Keskinen, H.; Kim, J.; Jokinen, T.; Lehtipalo, K.; Leiminger, M.; Praplan, A.; Riccobono, F.; Rissanen, M. P.; Sarnela, N.; Schobesberger, S.; Simon, M.; Sipilä, M.; Smith, J. N.; Tomé, A.; Tröstl, J.; Tsagkogeorgas, G.; Vaattovaara, P.; Winkler, P. M.; Williamson, C.; Wimmer, D.; Baltensperger, U.; Kirkby, J.; Kulmala, M.; Petäjä, T.; Worsnop, D. R.; Curtius, J.

    2016-01-01

    Sulfuric acid is widely recognized as a very important substance driving atmospheric aerosolnucleation. Based on quantum chemical calculations it has been suggested that the quantitative detectionof gas phase sulfuric acid (H2SO4) by use of Chemical Ionization Mass Spectrometry (CIMS) could be biased inthe presence of gas phase amines such as dimethylamine (DMA). An experiment (CLOUD7 campaign) was setup at the CLOUD (Cosmics Leaving OUtdoor Droplets) chamber to investigate the quantitative detection ofH2SO4in the presence of dimethylamine by CIMS at atmospherically relevant concentrations. For the first time inthe CLOUD experiment, the monomer sulfuric acid concentration was measured by a CIMS and by two CI-APi-TOF(Chemical Ionization-Atmospheric Pressure interface-Time Of Flight) mass spectrometers. In addition, neutralsulfuric acid clusters were measured with the CI-APi-TOFs. The CLOUD7 measurements show that in the presenceof dimethylamine (<5 to 70 pptv) the sulfuric acid monomer measured by the CIMS...

  9. Sensitivity analysis and economic optimization studies of inverted five-spot gas cycling in gas condensate reservoir

    OpenAIRE

    Shams Bilal; Yao Jun; Zhang Kai; Zhang Lei

    2017-01-01

    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...

  10. Application of modern online instrumentation for chemical analysis of gas and particulate phases of exhaust at the European Commission heavy-duty vehicle emission laboratory.

    Science.gov (United States)

    Adam, T W; Chirico, R; Clairotte, M; Elsasser, M; Manfredi, U; Martini, G; Sklorz, M; Streibel, T; Heringa, M F; Decarlo, P F; Baltensperger, U; De Santi, G; Krasenbrink, A; Zimmermann, R; Prevot, A S H; Astorga, C

    2011-01-01

    The European Commission recently established a novel test facility for heavy-duty vehicles to enhance more sustainable transport. The facility enables the study of energy efficiency of various fuels/scenarios as well as the chemical composition of evolved exhaust emissions. Sophisticated instrumentation for real-time analysis of the gas and particulate phases of exhaust has been implemented. Thereby, gas-phase characterization was carried out by a Fourier transform infrared spectrometer (FT-IR; carbonyls, nitrogen-containing species, small hydrocarbons) and a resonance-enhanced multiphoton ionization time-of-flight mass spectrometer (REMPI-TOFMS; monocyclic and polycyclic aromatic hydrocarbons). For analysis of the particulate phase, a high-resolution time-of-flight aerosol mass spectrometer (HR-TOF-AMS; organic matter, chloride, nitrate), a condensation particle counter (CPC; particle number), and a multiangle absorption photometer (MAAP; black carbon) were applied. In this paper, the first application of the new facility in combination with the described instruments is presented, whereby a medium-size truck was investigated by applying different driving cycles. The goal was simultaneous chemical characterization of a great variety of gaseous compounds and particulate matter in exhaust on a real-time basis. The time-resolved data allowed new approaches to view the results; for example, emission factors were normalized to time-resolved consumption of fuel and were related to emission factors evolved during high speeds. Compounds could be identified that followed the fuel consumption, others showed very different behavior. In particular, engine cold start, engine ignition (unburned fuel), and high-speed events resulted in unique emission patterns.

  11. Systematic Search for Chemical Reactions in Gas Phase Contributing to Methanol Formation in Interstellar Space.

    Science.gov (United States)

    Gamez-Garcia, Victoria G; Galano, Annia

    2017-10-05

    A massive search for chemical routes leading to methanol formation in gas phase has been conducted using computational chemistry, at the CBS-QB3 level of theory. The calculations were performed at five different temperatures (100, 80, 50, 20, and 10 K) and at three pressures (0.1, 0.01, and 0.001 atm) for each temperature. The search was focused on identifying reactions with the necessary features to be viable in the interstellar medium (ISM). A searching strategy was applied to that purpose, which allowed to reduce an initial set of 678 possible reactions to a subset of 11 chemical routes that are recommended, for the first time, as potential candidates for contributing to methanol formation in the gas phase of the ISM. They are all barrier-less, and thus they are expected to take place at collision rates. Hopefully, including these reactions in the currently available models, for the gas-phase methanol formation in the ISM, would help improving the predicted fractional abundance of this molecule in dark clouds. Further investigations, especially those dealing with grain chemistry and electronic excited states, would be crucial to get a complete picture of the methanol formation in the ISM.

  12. 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

  13. Thermodynamic entanglement of magnonic condensates

    Science.gov (United States)

    Yuan, H. Y.; Yung, Man-Hong

    2018-02-01

    Over the past decade, significant progress has been achieved to create Bose-Einstein condensates (BECs) of magnetic excitations, i.e., magnons, at room temperature, which is a novel quantum many-body system with a strong spin-spin correlation, and contains potential applications in magnonic spintronics. For quantum information science, the magnonic condensates can become an attractive source of quantum entanglement, which plays a central role in most of the quantum information processing tasks. Here we theoretically study the entanglement properties of a magnon gas above and below the condensation temperature. We show that the thermodynamic entanglement of the spins is a manifestation of the off-diagonal long-range order; the entanglement of the condensate does not vanish, even if the spins are separated by an infinitely long distance, which is fundamentally distinct from the normal magnetic ordering below the Curie temperature. In addition, the phase-transition point occurs when the derivative of the entanglement changes abruptly. These results provide a theoretical foundation for a future investigation of the magnon BEC in terms of quantum entanglement.

  14. Fundamental limits on gas-phase chemical reduction of NOx in a plasma

    Energy Technology Data Exchange (ETDEWEB)

    Penetrante, B.M.; Hsiao, M.C.; Merritt, B.T.; Vogtlin, G.E. [Lawrence Livermore National Lab., CA (United States)

    1997-12-31

    In the plasma, the electrons do not react directly with the NOx molecules. The electrons collide mainly with the background gas molecules like N{sub 2}, O{sub 2} and H{sub 2}O. Electron impact on these molecules result partly in dissociation reactions that produce reactive species like N, O and OH. The NOx in the engine exhaust gas initially consist mostly of NO. The ground state nitrogen atom, N, is the only species that could lead to the chemical reduction of NO to N{sub 2}. The O radical oxidizes NO to NO{sub 2} leaving the same amount of NOx. The OH radical converts NO{sub 2} to nitric acid. Acid products in the plasma can easily get adsorbed on surfaces in the plasma reactor and in the pipes. When undetected, the absence of these oxidation products can often be mistaken for chemical reduction of NOx. In this paper the authors will examine the gas-phase chemical reduction of NOx. They will show that under the best conditions, the plasma can chemically reduce 1.6 grams of NOx per brake-horsepower-hour [g(NOx)/bhp-hr] when 5% of the engine output energy is delivered to the plasma.

  15. Diffusion, Thermal Properties and Chemical Compatibilities of Select MAX Phases with Materials For Advanced Nuclear Systems

    Energy Technology Data Exchange (ETDEWEB)

    Barsoum, Michel [Drexel Univ., Philadelphia, PA (United States); Bentzel, Grady [Drexel Univ., Philadelphia, PA (United States); Tallman, Darin J. [Drexel Univ., Philadelphia, PA (United States); Sindelar, Robert [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL); Garcia-Diaz, Brenda [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL); Hoffman, Elizabeth [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL)

    2016-04-04

    The demands of Gen IV nuclear power plants for long service life under neutron irradiation at high temperature are severe. Advanced materials that would withstand high temperatures (up to 1000+ ºC) to high doses in a neutron field would be ideal for reactor internal structures and would add to the long service life and reliability of the reactors. The objective of this work is to investigate the chemical compatibility of select MAX with potential materials that are important for nuclear energy, as well as to measure the thermal transport properties as a function of neutron irradiation. The chemical counterparts chosen for this work are: pyrolytic carbon, SiC, U, Pd, FLiBe, Pb-Bi and Na, the latter 3 in the molten state. The thermal conductivities and heat capacities of non-irradiated MAX phases will be measured.

  16. Biomolecular condensates: organizers of cellular biochemistry.

    Science.gov (United States)

    Banani, Salman F; Lee, Hyun O; Hyman, Anthony A; Rosen, Michael K

    2017-05-01

    Biomolecular condensates are micron-scale compartments in eukaryotic cells that lack surrounding membranes but function to concentrate proteins and nucleic acids. These condensates are involved in diverse processes, including RNA metabolism, ribosome biogenesis, the DNA damage response and signal transduction. Recent studies have shown that liquid-liquid phase separation driven by multivalent macromolecular interactions is an important organizing principle for biomolecular condensates. With this physical framework, it is now possible to explain how the assembly, composition, physical properties and biochemical and cellular functions of these important structures are regulated.

  17. Bose-Einstein condensation in real space

    International Nuclear Information System (INIS)

    Valencia, J.J.; Llano, M. de; Solis, M.A.

    2004-01-01

    We show how Bose-Einstein condensation (BEC) occurs not only in momentum space but also in coordinate (or real) space. Analogies between the isotherms of a van der Waals classical gas of extended (or finite-diameter) identical atoms and the point (or zero-diameter) particles of an ideal BE gas allow concluding that, in contrast with the classical case, the volume per particle vanishes in the pure BE condensate phase precisely because the boson diameters are zero. Thus a BE condensate forms in real space without exhibiting a liquid branch as does the classical gas. (Author)

  18. Capillary condensation between disks in two dimensions

    DEFF Research Database (Denmark)

    Gil, Tamir; Ipsen, John Hjorth

    1997-01-01

    Capillary condensation between two two-dimensional wetted circular substrates (disks) is studied by an effective free energy description of the wetting interface. The interfacial free-energy potential is developed on the basis of the theory for the wetting of a single disk, where interfacial...... capillary fluctuations play a dominant role. A simple approximative analytical expression of the interfacial free energy is developed and is validated numerically. The capillary condensation is characterized by the analysis of the coverage of the condensed phase, its stability, and asymptotic behaviors...

  19. Turbulence and heat transfer in condensate in drying cylinders at high g-forces. Phase 2; Turbulens och vaermeoeverfoering i kondensat i torkcylindrar vid hoega g-krafter. Fas 2

    Energy Technology Data Exchange (ETDEWEB)

    Stenstroem, Stig; Ingvarsson, David [Lund Inst. of Tech. (Sweden). Dept. of Chemical Engineering

    2006-02-15

    During paper drying a condensate layer is formed on the inside surface of the rotating cylinder which acts as resistance for heat transfer through the cylinder. The heat transfer resistance in the condensate layer is mainly dependant on the layer thickness and the turbulence in the layer. Consequently the resistance increases with higher cylinder speeds due to increased centrifugal forces and thus reduced turbulence in the layer. In order to minimize the influence of condensate on the heat transfer process the cylinder used in Phase 1 has been equipped with axial grooves. The aim of the project has been to study the water movement in the cylinder and to investigate how the drying capacity is influenced by condensate accumulating in the grooves rather than moving along the smooth surface of a paper dryer cylinder. This knowledge should be considered preferably before construction of cylinders for new machines. For existing machines with smooth cylinders the importance of axial vertical flanges for improved heat transfer has been investigated. In addition the capacity of stationary siphons has been evaluated. The results are of importance for the manufacturers of paper machines as well as the producing newsprint and printing paper companies. According to the results from the experiments the water flows mainly in the grooves, assuming that the number of grooves and that the dimensions of the grooves are adjusted to the water load. Then the surfaces between the grooves can be considered as completely dry unlike in a smooth cylinder where the surfaces more or less are covered with a thin layer of condensate. Furthermore the centrifugal force helps the water to flow down into the grooves. Consequently a high water flow will rely on a high cylinder speed in order to keep the water flowing into the axial grooves. The computer simulations show that the drying capacity increases with up to 46 % in dryer cylinders provided with axial grooves compared to smooth cylinders

  20. 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.)

  1. Purification method for condensate

    International Nuclear Information System (INIS)

    Shimoda, Akiyoshi.

    1996-01-01

    Condensates generated in secondary coolant circuits of a PWR type reactor are filtered using a hollow thread separation membranes comprising aromatic polyether ketone. Preferably, condensates after passing through a turbine are filtered at a place between a condensator and a steam generator at high temperature as close as a temperature of the steam generator. As the hollow thread membrane, partially crystalline membrane comprising aromatic polyether ketone is used. When it is used at high temperature, the crystallinity is preferably not less than 15wt%. Since a hollow thread membrane comprising the aromatic polyether ketone of excellent heat resistance is used, it can filter and purify the condensates at not lower than 70degC. Accordingly, impurities such as colloidal iron can be removed from the condensates, and the precipitation of cruds in the condensates to a steam generator and a turbine can be suppressed. (I.N.)

  2. Effect of vapor-phase oxygen on chemical vapor deposition growth of graphene

    Science.gov (United States)

    Terasawa, Tomo-o.; Saiki, Koichiro

    2015-03-01

    To obtain a large-area single-crystal graphene, chemical vapor deposition (CVD) growth on Cu is considered the most promising. Recently, the surface oxygen on Cu has been found to suppress the nucleation of graphene. However, the effect of oxygen in the vapor phase was not elucidated sufficiently. Here, we investigate the effect of O2 partial pressure (PO2) on the CVD growth of graphene using radiation-mode optical microscopy. The nucleation density of graphene decreases monotonically with PO2, while its growth rate reaches a maximum at a certain pressure. Our results indicate that PO2 is an important parameter to optimize in the CVD growth of graphene.

  3. Physics of a ballistic missile defense - The chemical laser boost-phase defense

    Science.gov (United States)

    Grabbe, Crockett L.

    1988-01-01

    The basic physics involved in proposals to use a chemical laser based on satellites for a boost-phase defense are investigated. After a brief consideration of simple physical conditions for the defense, a calculation of an equation for the number of satellites needed for the defense is made along with some typical values of this for possible future conditions for the defense. Basic energy and power requirements for the defense are determined. A sumary is made of probable minimum conditions that must be achieved for laser power, targeting accuracy, number of satellites, and total sources for power needed.

  4. Gas-phase hydrosilylation of cyclohexene in an experimental radiation-chemical accelerator apparatus

    International Nuclear Information System (INIS)

    Pecherkin, A.S.; Sidorov, V.I.; Chernyshev, E.A.

    1992-01-01

    A process for the synthesis of methylcyclohexyldichlorosilane (a basic monomer for the production of organosilicon photoresists) has been investigated and perfected on an experimental apparatus with an ELV-2 electron accelerator; this synthesis involves gas-phase radiation-induced hydrosilylation of cyclohexene by methyldichlorosilane. Basic characteristics of the yield of the desired product under static conditions were determined. With the help of experiments on the synthesis of methylcyclohexyldichlorosilane in a flow- through mode, the technical features of the process of radiation-chemical hydrosilylation of cyclohexene on an accelerator apparatus were determined and studied, the optimal conditions for the synthesis were determined, and an experimental batch of the desired product was produced

  5. Effect of disorder on condensation in the lattice gas model on a random graph.

    Science.gov (United States)

    Handford, Thomas P; Dear, Alexander; Pérez-Reche, Francisco J; Taraskin, Sergei N

    2014-07-01

    The lattice gas model of condensation in a heterogeneous pore system, represented by a random graph of cells, is studied using an exact analytical solution. A binary mixture of pore cells with different coordination numbers is shown to exhibit two phase transitions as a function of chemical potential in a certain temperature range. Heterogeneity in interaction strengths is demonstrated to reduce the critical temperature and, for large-enough degreeS of disorder, divides the cells into ones which are either on average occupied or unoccupied. Despite treating the pore space loops in a simplified manner, the random-graph model provides a good description of condensation in porous structures containing loops. This is illustrated by considering capillary condensation in a structural model of mesoporous silica SBA-15.

  6. Computer simulation of chemical nucleation

    International Nuclear Information System (INIS)

    Turner, J.S.

    1979-01-01

    The problem of nucleation at chemical instabilities is investigated by means of microscopic computer simulation. The first-order transition of interest involves a new kind of nucleation arising from chemical transformations rather than physical forces. Here it is the chemical state of matter, and not matter itself, which is spatially localized to form the nucleus for transition between different chemical states. First, the concepts of chemical instability, nonequilibrium phase transition, and dissipative structure are reviewed briefly. Then recently developed methods of reactive molecular dynamics are used to study chemical nucleation in a simple model chemical reactions. Finally, the connection of these studies to nucleation and condensation processes involving physical and chemical interactions is explored. (orig.)

  7. The Effects of Diesel Exhaust and Stress on the Acute Phase Response and Symptoms in the Chemically Intolerant

    National Research Council Canada - National Science Library

    Fiedler, Nancy; Leumbach, Robert; Kipen, Howard; Lioy, Paul; Zhang, Jungfeng; Lehrer, Paul

    2006-01-01

    .... The purpose of the proposed study is to test a model for chemical sensitivity in GWV in which simultaneous acute exposures to DE and psychological stress cause increased symptoms via the acute phase response (APR...

  8. Chemical Frustration. A Design Principle for the Discovery of New Complex Alloy and Intermetallic Phases, Final Report

    Energy Technology Data Exchange (ETDEWEB)

    Fredrickson, Daniel C [Univ. of Wisconsin, Madison, WI (United States)

    2015-06-23

    Final technical report for "Chemical Frustration: A Design Principle for the Discovery of New Complex Alloy and Intermetallic Phases" funded by the Office of Science through the Materials Chemistry Program of the Office of Basic Energy Sciences.

  9. Reactive Ion Etching as Cleaning Method Post Chemical Mechanical Polishing for Phase Change Memory Device

    International Nuclear Information System (INIS)

    Min, Zhong; Zhi-Tang, Song; Bo, Liu; Song-Lin, Feng; Bomy, Chen

    2008-01-01

    In order to improve nano-scale phase change memory performance, a super-clean interface should be obtained after chemical mechanical polishing (CMP) of Ge 2 Sb 2 Te 5 phase change films. We use reactive ion etching (RIE) as the cleaning method. The cleaning effect is analysed by scanning electron microscopy and an energy dispersive spectrometer. The results show that particle residue on the surface has been removed. Meanwhile, Ge 2 Sb 2 Te 5 material stoichiometric content ratios are unchanged. After the top electrode is deposited, current-voltage characteristics test demonstrates that the set threshold voltage is reduced from 13 V to 2.7V and the threshold current from 0.1mA to 0.025mA. Furthermore, we analyse the RIE cleaning principle and compare it with the ultrasonic method

  10. 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

  11. Gas Phase Nanoparticle Synthesis

    Science.gov (United States)

    Granqvist, Claes; Kish, Laszlo; Marlow, William

    This book deals with gas-phase nanoparticle synthesis and is intended for researchers and research students in nanomaterials science and engineering, condensed matter physics and chemistry, and aerosol science. Gas-phase nanoparticle synthesis is instrumental to nanotechnology - a field in current focus that raises hopes for environmentally benign, resource-lean manufacturing. Nanoparticles can be produced by many physical, chemical, and even biological routes. Gas-phase synthesis is particularly interesting since one can achieve accurate manufacturing control and hence industrial viability.

  12. Condensation During Nuclear Reactor Loca

    International Nuclear Information System (INIS)

    Rihan, Y.; Teamah, M.; Sorour, M.; Soliman, S.

    2008-01-01

    Two-phase channel flow with condensation is a common phenomenon occurs in a number of nuclear reactor accident scenarios. It also plays an important role during the operation of the safety coolant injection systems in advanced nuclear reactors. Semiempirical correlations and simple models based on the analogy between heat and mass transfer processes have been previously applied. Rigorous models, compatible with the state-of-the-art numerical algorithms used in thermal-hydraulic computer codes, are scare, and are of great interest. The objective of this research is to develop a method for modeling condensation, with noncondensable gases, compatible with the state-of-the-art numerical methods for the solution of multi-phase field equations. A methodology for modeling condensation, based on the stagnant film theory, and compatible with the reviewed numerical algorithms, is developed. The model treats the coupling between the heat and mass transfer processes, and allows for an implicit treatment of the mass and momentum exchange terms as the gas-liquid interphase, without iterations. The developed model was used in the application of loss of coolant in pressurized water reactor accidents

  13. Synthesis of iron oxide nanorods via chemical scavenging and phase transformations of intermediates at ambient conditions

    Energy Technology Data Exchange (ETDEWEB)

    Deshmukh, Ruchi; Mehra, Anurag; Thaokar, Rochish, E-mail: rochish@che.iitb.ac.in [Indian Institute of Technology-Bombay, Department of Chemical Engineering (India)

    2017-01-15

    Chemically induced shape transformations of isotropic seeds, comprised of iron oxyhydroxides and iron oxide borate into nanorods, is reported. Transient growth studies show that the nanorods are formed via phase transformation and aggregation of various metastable species. Addition of tetra-methyl-ammonium hydroxide (TMAH) to the in situ synthesized seeds ensures a typical reaction pathway that favors formation of magnetite (Fe {sub 3}O{sub 4}) via the steps of chemical etching, phase transformation of intermediates, and crystal consolidation. Whereas, with addition of sodium hydroxide (NaOH), either magnetite (Fe {sub 3}O{sub 4}) or a mixture of (γ-Fe {sub 2}O{sub 3} + α-FeOOH) is obtained. The shape with both the additives is always that of nanorods. When the seeds treated with TMAH were aged in an ultrasonication bath, rods with almost twice the length and diameter (length = 2800 nm, diameter = 345 nm) are obtained as compared to the sample aged without ultrasonication (length = 1535 nm, diameter = 172 nm). The morphology of nanostructures depending upon other experimental conditions such as, aging the sample at 60 {sup ∘}C, seeds synthesized under ultrasonication/ stirring or externally added are also examined and discussed in detail. All the samples show high coercivity and strong ferromagnetic behavior at room temperature and should be promising candidates as ferro-fluids for various applications.

  14. Phase rule calculations and the thermodynamics of reactive systems under chemical equilibrium

    Directory of Open Access Journals (Sweden)

    PLATT G. M.

    1999-01-01

    Full Text Available In this paper, we examine the resolution of some phase rule problems within the context of multiple chemical equilibrium reactions, using cubic equations of state and an activity coefficient model. Bubble and dew reactive surfaces, reactive azeotropic loci and reactive critical loci are generated and presented in graphical form. Also isobaric bubble and dew reactive enthalpy loci, which may be useful in the modeling of reactive distillation operations, are depicted. All the formalism here employed is developed within the coordinate transformation of Ung and Doherty, which is appropriate for equilibrium reactive or multireactive systems. The major contribution of this work is the determination of critical loci for reactive or multireactive equilibrium systems. Since it is known that for some class of chemical reactions the kinetics and product distribution exhibit high sensitivity to pressure near criticality, the present study may be useful as a predicting tool in these cases if the chemical equilibrium condition is not too far from the real phenomenon.

  15. Evaporation of multicomponent chemical spills: When is liquid phase resistance significant?

    International Nuclear Information System (INIS)

    Berger, D.; Mackay, D.

    1993-01-01

    When chemicals are spilled on land or water, it is important to be able to estimate evaporation rates accurately. Conventional models used to predict evaporation rates of multicomponent spills assume that the entire resistance to evaporation lies in the vapor phase. Under certain conditions, an additional liquid phase resistance may be introduced, resulting in retarded evaporation rates. Existing models may thus fail to predict spill behavior accurately. A study is described whose objective is to elucidate the significance of the liquid phase resistance. Evaporation experiments were conducted in which a thin layer of synthetic oil (mineral oil enriched with compounds such as pentane, hexane, toluene, octane, and p-xylene) was exposed to prolonged evaporation in a metal tray at controlled wind speeds. Bulk samples of the spill layer were taken at specific time intervals and their composition was determined by gas chromatographic analysis. The results are compared to those from a theoretical model and to gas stripping experiments. The model is based on the evaporative flux equation incorporating Raoult's law; inputs are the air-oil partition coefficient for each component and the composition of the synthetic oil on a volume and mole fraction basis. The study has enabled the formation of vertical concentration profiles to be examined and liquid phase mass transfer coefficients to be estimated. The results imply that liquid-phase resistance effects are likely to be important for the most volatile components. Contaminated areas may thus continue to be hazardous, even though model predictions indicate otherwise. 7 refs., 3 figs., 2 tabs

  16. Synthesis and characterization of β-phase iron silicide nano-particles by chemical reduction

    International Nuclear Information System (INIS)

    Sen, Sabyasachi; Gogurla, Narendar; Banerji, Pallab; Guha, Prasanta K.; Pramanik, Panchanan

    2015-01-01

    Graphical abstract: - Highlights: • β-FeSi 2 nano-particle was synthesized by reducing with Mg and by diluting with MgO. • XRD profile shows the iron di-silicide phase to be semiconducting β-FeSi 2 . • HRTEM and FESEM images indicate the β-FeSi 2 average particle size to be 60–70 nm. • Absorption, reflectance and PL spectroscopy show band gap to be direct 0.87 eV. • Nano-β-FeSi 2 is p-type with hole density of 4.38 × 10 18 cm −3 and mobility 8.9 cm 2 /V s. - Abstract: Nano-particles of β-FeSi 2 have been synthesized by chemical reduction of a glassy phase of [Fe 2 O 3 , 4SiO 2 ] by Mg-metal where MgO is used as diluent to prevent the agglomeration of nano crystallites into micro-particles and also act as a negative catalyst for the formation of other phases. The sample is characterized by XRD, FESEM, HRTEM, EDX, ultra-violet-visible-infrared and PL spectroscopy and electronic properties have been investigated by Hall measurement. XRD profile shows that the synthesized powder consists of purely β-FeSi 2 semiconducting phase. The average crystallite size of β-FeSi 2 is determined to be around 65.4 nm from XRD peaks as well as from FESEM also. The optical absorption and PL spectroscopy shows that synthesized β-FeSi 2 phase is a direct band gap semiconductor with a value of 0.87 eV. Hall measurements show that β-FeSi 2 nano-particles is p-type with hole concentration of 4.38 × 10 18 cm −3 and average hole mobility of 8.9 cm 2 /V s at 300 K

  17. Development of chemical equilibrium analysis code 'CHEEQ'

    International Nuclear Information System (INIS)

    Nagai, Shuichiro

    2006-08-01

    'CHEEQ' code which calculates the partial pressure and the mass of the system consisting of ideal gas and pure condensed phase compounds, was developed. Characteristics of 'CHEEQ' code are as follows. All the chemical equilibrium equations were described by the formation reactions from the mono-atomic gases in order to simplify the code structure and input preparation. Chemical equilibrium conditions, Σν i μ i =0 for the gaseous compounds and precipitated condensed phase compounds and Σν i μ i > 0 for the non-precipitated condensed phase compounds, were applied. Where, ν i and μ i are stoichiometric coefficient and chemical potential of component i. Virtual solid model was introduced to perform the calculation of constant partial pressure condition. 'CHEEQ' was consisted of following 3 parts, (1) analysis code, zc132. f. (2) thermodynamic data base, zmdb01 and (3) input data file, zindb. 'CHEEQ' code can calculate the system which consisted of elements (max.20), condensed phase compounds (max.100) and gaseous compounds. (max.200). Thermodynamic data base, zmdb01 contains about 1000 elements and compounds, and 200 of them were Actinide elements and their compounds. This report describes the basic equations, the outline of the solution procedure and instructions to prepare the input data and to evaluate the calculation results. (author)

  18. 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....

  19. Developmental Effects of the ToxCast™ Phase I and Phase II Chemicals in Caenorhabditis elegans and Corresponding Responses in Zebrafish, Rats, and Rabbits

    Science.gov (United States)

    Boyd, Windy A.; Smith, Marjolein V.; Co, Caroll A.; Pirone, Jason R.; Rice, Julie R.; Shockley, Keith R.; Freedman, Jonathan H.

    2015-01-01

    Background: Modern toxicology is shifting from an observational to a mechanistic science. As part of this shift, high-throughput toxicity assays are being developed using alternative, nonmammalian species to prioritize chemicals and develop prediction models of human toxicity. Methods: The nematode Caenorhabditis elegans (C. elegans) was used to screen the U.S. Environmental Protection Agency’s (EPA’s) ToxCast™ Phase I and Phase II libraries, which contain 292 and 676 chemicals, respectively, for chemicals leading to decreased larval development and growth. Chemical toxicity was evaluated using three parameters: a biologically defined effect size threshold, half-maximal activity concentration (AC50), and lowest effective concentration (LEC). Results: Across both the Phase I and Phase II libraries, 62% of the chemicals were classified as active ≤ 200 μM in the C. elegans assay. Chemical activities and potencies in C. elegans were compared with those from two zebrafish embryonic development toxicity studies and developmental toxicity data for rats and rabbits. Concordance of chemical activity was higher between C. elegans and one zebrafish assay across Phase I chemicals (79%) than with a second zebrafish assay (59%). Using C. elegans or zebrafish to predict rat or rabbit developmental toxicity resulted in balanced accuracies (the average value of the sensitivity and specificity for an assay) ranging from 45% to 53%, slightly lower than the concordance between rat and rabbit (58%). Conclusions: Here, we present an assay that quantitatively and reliably describes the effects of chemical toxicants on C. elegans growth and development. We found significant overlap in the activity of chemicals in the ToxCast™ libraries between C. elegans and zebrafish developmental screens. Incorporating C. elegans toxicological assays as part of a battery of in vitro and in vivo assays provides additional information for the development of models to predict a chemical

  20. Laboratory studies of the chemical composition and cloud condensation nuclei (CCN activity of secondary organic aerosol (SOA and oxidized primary organic aerosol (OPOA

    Directory of Open Access Journals (Sweden)

    A. T. Lambe

    2011-09-01

    Full Text Available Secondary organic aerosol (SOA and oxidized primary organic aerosol (OPOA were produced in laboratory experiments from the oxidation of fourteen precursors representing atmospherically relevant biogenic and anthropogenic sources. The SOA and OPOA particles were generated via controlled exposure of precursors to OH radicals and/or O3 in a Potential Aerosol Mass (PAM flow reactor over timescales equivalent to 1–20 days of atmospheric aging. Aerosol mass spectra of SOA and OPOA were measured with an Aerodyne aerosol mass spectrometer (AMS. The fraction of AMS signal at m/z = 43 and m/z = 44 (f43, f44, the hydrogen-to-carbon (H/C ratio, and the oxygen-to-carbon (O/C ratio of the SOA and OPOA were obtained, which are commonly used to characterize the level of oxidation of oxygenated organic aerosol (OOA. The results show that PAM-generated SOA and OPOA can reproduce and extend the observed f44f43 composition beyond that of ambient OOA as measured by an AMS. Van Krevelen diagrams showing H/C ratio as a function of O/C ratio suggest an oxidation mechanism involving formation of carboxylic acids concurrent with fragmentation of carbon-carbon bonds. Cloud condensation nuclei (CCN activity of PAM-generated SOA and OPOA was measured as a function of OH exposure and characterized as a function of O/C ratio. CCN activity of the SOA and OPOA, which was characterized in the form of the hygroscopicity parameter κorg, ranged from 8.4×10−4 to 0.28 over measured O/C ratios ranging from 0.05 to 1.42. This range of κorg and O/C ratio is significantly wider than has been previously obtained. To first order, the κorg-to-O/C relationship is well represented by a linear function of the form κorg = (0.18±0.04 ×O/C + 0.03, suggesting that a simple, semi-empirical parameterization of OOA hygroscopicity and

  1. 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

  2. Study of clay chemical composition in formation of new phases in crystalline materials ceramic

    International Nuclear Information System (INIS)

    Lima, L.K.S.; Goncalves, W.P.; Silva, V.J.; Dias, G.; Neves, G.A.; Santana, L.N.L.

    2016-01-01

    The knowledge of the characteristics of raw materials and the behavior of these during the heat treatment is crucial before starting any manufacturing process of clay-based products. The objective of this work was to study phase transformations of clay under different heat treatments using conventional oven. To achieve the same were used two clays coming from the municipality of Cubati - PB and kaolin from an industry in the Northeast. The samples were subjected to beneficiation process, crushing, grinding and sieving and further characterized: chemical analysis, particle size, thermal and mineralogical. For heat treatment temperatures employed were 1000, 1100 and 1200 ° C, heating rate 5 ° C / min and residence time of 60min. After this step, the mineralogical characterization was performed by x-ray diffraction technique. Clays with larger particle size fraction below 2um and greater amount of flux oxides showed higher amount of mullite for the temperatures studied. The results also showed nucleation of mullite phase from 1100 °C, a band 2theta in the range of between 20 and 25°, characteristic of amorphous silica and the temperature rise was observed intensification of crystalline phases. (author)

  3. Liquid and vapor phase fluids visualization using an exciplex chemical sensor

    International Nuclear Information System (INIS)

    Kim, Jong Uk; Kim, Guang Hoon; Kim, Chang Bum; Suk, Hyyong

    2001-01-01

    Two dimensional slices of the cross-sectional distributions of fuel images in the combustion chamber were visualized quantitatively using a laser-induced exciplex (excited state complex) fluorescence technique. A new exciplex visualization system consisting of 5%DMA (N, N-dimethylaniline) · 5%1, 4,6-TMN (trimethylnaphthalene) in 90% isooctane (2,2,4-trimethylpentane) fuel was employed. In this method, the vapor phase was tagged by the monomer fluorescence while the liquid phase was tracked by the red-shifted exciplex fluorescence with good spectral and spatial resolution. The direct calibration of the fluorescence intensity as a function of the fluorescing dopant concentrations then permitted the determination of quantitative concentration maps of liquid and vapor phases in the fuel. The 308 nm (XeCl) line of the excimer laser was used to excite the doped molecules in the fuel and the resulting fluorescence images were obtained with an ICCD detector as a function time. In this paper, the spectroscopy of the exciplex chemical sensors as well as the optical diagnostic method of the fluid distribution is discussed in detail.

  4. Winding Up of the Wave-Function Phase by an Insulator-to-Superfluid Transition in a Ring of Coupled Bose-Einstein Condensates

    International Nuclear Information System (INIS)

    Dziarmaga, Jacek; Meisner, Jakub; Zurek, Wojciech H.

    2008-01-01

    We study phase transition from the Mott insulator to superfluid in a periodic optical lattice. Kibble-Zurek mechanism predicts buildup of winding number through random walk of BEC phases, with the step size scaling as a third root of transition rate. We confirm this and demonstrate that this scaling accounts for the net winding number after the transition

  5. Structure and chemical durability of barium borosilicate glass–ceramics containing zirconolite and titanite crystalline phases

    International Nuclear Information System (INIS)

    Li, Huidong; Wu, Lang; Xu, Dong; Wang, Xin; Teng, Yuancheng; Li, Yuxiang

    2015-01-01

    In order to increase the solubility of actinides in the glass matrix, the effects of CaO, TiO 2 , and ZrSiO 4 addition (abbreviated as CTZ, in the mole ratio of 2:2:1) on crystalline phases, microstructure, and chemical durability of barium borosilicate glass–ceramics were investigated. The results show that the samples possess both zirconolite-2M and titanite phase when the CTZ content is greater than or equal to 45 wt.%. For the glass–ceramics with 45 wt.% CTZ (CTZ-45), only zirconolite-2M phase is observed after annealing at 680–740 °C for 2 h. The CTZ-45 possess zirconolite-2M and titanite phases after annealing at 700 °C first, and then annealing at 900–1050 °C for 2 h. Furthermore, the zirconolite-2M and titanite grains show a strip and brick shape, respectively. The CTZ-45 annealing at 950 °C shows the lower normalized leaching rates of B, Na and Nd when compared to that of CTZ-0 and CTZ-55. - Highlights: • CaO, TiO 2 , ZrSiO 4 (CTZ) as nucleating agents were added to barium borosilicate glass. • The samples with 45–55 wt% CTZ possess CaZrTi 2 O 7 -2M and CaTiSiO 5 crystalline phases. • CTZ-45 (45wt% CTZ) possesses only CaZrTi 2 O 7 -2M phase after annealing at 680–740 °C. • CTZ-45 possesses CaZrTi 2 O 7 -2M and CaTiSiO 5 phases after annealing at 900–1050 °C. • CTZ-45 annealing at 950 °C shows the lower leaching rates of B, Na and Nd than CTZ-0 and CTZ-55.

  6. Targeted Functionalization of Nanoparticle Thin Films via Capillary Condensation

    KAUST Repository

    Gemici, Zekeriyya; Schwachulla, Patrick I.; Williamson, Erik H.; Rubner, Michael F.; Cohen, Robert E.

    2009-01-01

    Capillary condensation, an often undesired natural phenomenon in nanoporous materials, was used advantageously as a universal functionalization strategy in nanoparticle thin films assembled layer-by-layer. Judicious choice of nanoparticle (and therefore pore) size allowed targeted capillary condensation of chemical vapors of both hydrophilic and hydrophobic molecules across film thickness. Heterostructured thin films with modulated refractive index profiles produced in this manner exhibited broadband antireflection properties with an average reflectance over the visible region of the spectrum of only 0.4%. Capillary condensation was also used to modify surface chemistry and surface energy. Photosensitive capillary-condensates were UV-cross-linked in situ. Undesired adventitious condensation of humidity could be avoided by condensation of hydrophobic materials such as poly(dimethyl siloxane). © 2009 American Chemical Society.

  7. Targeted Functionalization of Nanoparticle Thin Films via Capillary Condensation

    KAUST Repository

    Gemici, Zekeriyya

    2009-03-11

    Capillary condensation, an often undesired natural phenomenon in nanoporous materials, was used advantageously as a universal functionalization strategy in nanoparticle thin films assembled layer-by-layer. Judicious choice of nanoparticle (and therefore pore) size allowed targeted capillary condensation of chemical vapors of both hydrophilic and hydrophobic molecules across film thickness. Heterostructured thin films with modulated refractive index profiles produced in this manner exhibited broadband antireflection properties with an average reflectance over the visible region of the spectrum of only 0.4%. Capillary condensation was also used to modify surface chemistry and surface energy. Photosensitive capillary-condensates were UV-cross-linked in situ. Undesired adventitious condensation of humidity could be avoided by condensation of hydrophobic materials such as poly(dimethyl siloxane). © 2009 American Chemical Society.

  8. Spectroscopy of dark soliton states in Bose-Einstein condensates

    International Nuclear Information System (INIS)

    Bongs, K; Burger, S; Hellweg, D; Kottke, M; Dettmer, S; Rinkleff, T; Cacciapuoti, L; Arlt, J; Sengstock, K; Ertmer, W

    2003-01-01

    Experimental and numerical studies of the velocity field of dark solitons in Bose-Einstein condensates are presented. The formation process after phase imprinting as well as the propagation of the emerging soliton are investigated using spatially resolved Bragg spectroscopy of soliton states in Bose-Einstein condensates of 87 Rb. A comparison of experimental data to results from numerical simulations of the Gross-Pitaevskii equation clearly identifies the flux underlying a dark soliton propagating in a Bose-Einstein condensate. The results allow further optimization of the phase imprinting method for creating collective excitations of Bose-Einstein condensates

  9. A new general methodology for incorporating physico-chemical transformations into multi-phase wastewater treatment process models.

    Science.gov (United States)

    Lizarralde, I; Fernández-Arévalo, T; Brouckaert, C; Vanrolleghem, P; Ikumi, D S; Ekama, G A; Ayesa, E; Grau, P

    2015-05-01

    This paper introduces a new general methodology for incorporating physico-chemical and chemical transformations into multi-phase wastewater treatment process models in a systematic and rigorous way under a Plant-Wide modelling (PWM) framework. The methodology presented in this paper requires the selection of the relevant biochemical, chemical and physico-chemical transformations taking place and the definition of the mass transport for the co-existing phases. As an example a mathematical model has been constructed to describe a system for biological COD, nitrogen and phosphorus removal, liquid-gas transfer, precipitation processes, and chemical reactions. The capability of the model has been tested by comparing simulated and experimental results for a nutrient removal system with sludge digestion. Finally, a scenario analysis has been undertaken to show the potential of the obtained mathematical model to study phosphorus recovery. Copyright © 2015 Elsevier Ltd. All rights reserved.

  10. Differentiation of osteoporotic and neoplastic vertebral fractures by chemical shift {l_brace}in-phase and out-of phase{r_brace} MR imaging

    Energy Technology Data Exchange (ETDEWEB)

    Ragab, Yasser [Radiology Department, Faculty of Medicine, Cairo University (Egypt); Radiology Department, Dr Erfan and Bagedo General Hospital (Saudi Arabia)], E-mail: yragab61@hotmail.com; Emad, Yasser [Rheumatology and Rehabilitation Department, Faculty of Medicine, Cairo University (Egypt); Rheumatology and Rehabilitation Department, Dr Erfan and Bagedo General Hospital (Saudi Arabia)], E-mail: yasseremad68@yahoo.com; Gheita, Tamer [Rheumatology and Rehabilitation Department, Faculty of Medicine, Cairo University (Egypt)], E-mail: gheitamer@yahoo.com; Mansour, Maged [Oncology Department, Faculty of Medicine, Cairo University (Egypt); Oncology Department, Dr Erfan and Bagedo General Hospital (Saudi Arabia)], E-mail: magedmansour@yahoo.com; Abou-Zeid, A. [Public Health Department, Faculty of Medicine, Cairo University, Cairo (Egypt)], E-mail: alaabouzeid@yahoo.com; Ferrari, Serge [Division of Bone Diseases, Department of Rehabilitation and Geriatrics, and WHO, Collaborating Center for Osteoporosis Prevention, Geneva University Hospital (Switzerland)], E-mail: serge.ferrari@medecine.unige.ch; Rasker, Johannes J. [Rheumatologist University of Twente, Enschede (Netherlands)], E-mail: j.j.rasker@utwente.nl

    2009-10-15

    Objective: The objective of this study was to establish the cut-off value of the signal intensity drop on chemical shift magnetic resonance imaging (MRI) with appropriate sensitivity and specificity to differentiate osteoporotic from neoplastic wedging of the spine. Patients and methods: All patients with wedging of vertebral bodies were included consecutively between February 2006 and January 2007. A chemical shift MRI was performed and signal intensity after (in-phase and out-phase) images were obtained. A DXA was performed in all. Results: A total of 40 patients were included, 20 with osteoporotic wedging (group 1) and 20 neoplastic (group 2). They were 21 males and 19 females. Acute vertebral collapse was observed in 15 patients in group 1 and subacute collapse in another 5 patients, while in group 2, 11 patients showed acute collapse and 9 patients (45%) showed subacute vertebral collapse. On the chemical shift MRI a substantial reduction in signal intensity was found in all lesions in both groups. The proportional changes observed in signal intensity of bone marrow lesions on in-phase compared with out-of-phase images showed significant differences in both groups (P < 0.05). At a cut-off value of 35%, the observed sensitivity of out-of-phase images was 95%, specificity was 100%, positive predictive value was 100% and negative predictive value was 95.2%. Conclusion: A chemical shift MRI is useful in order to differentiate patients with vertebral collapse due to underlying osteoporosis or neoplastic process.

  11. Vortex sorter for Bose-Einstein condensates

    International Nuclear Information System (INIS)

    Whyte, Graeme; Veitch, John; Courtial, Johannes; Oehberg, Patrik

    2004-01-01

    We have designed interferometers that sort Bose-Einstein condensates into their vortex components. The Bose-Einstein condensates in the two arms of the interferometer are rotated with respect to each other through fixed angles; different vortex components then exit the interferometer in different directions. The method we use to rotate the Bose-Einstein condensates involves asymmetric phase imprinting and is itself new. We have modeled rotation through fixed angles and sorting into vortex components with even and odd values of the topological charge of two-dimensional Bose-Einstein condensates in a number of states (pure or superposition vortex states for different values of the scattering length). Our scheme may have applications for quantum information processing

  12. Cheese whey valorisation: Production of valuable gaseous and liquid chemicals from lactose by aqueous phase reforming

    International Nuclear Information System (INIS)

    Remón, J.; Ruiz, J.; Oliva, M.; García, L.; Arauzo, J.

    2016-01-01

    Highlights: • Aqueous phase reforming: a promising strategy for cheese whey valorisation. • In-depth understanding of the effect of the operating conditions on the process. • Process optimisation for the selective production of valuable gas and liquid products. • High P, T, lactose concentration and spatial time favour gas production. • High T, low spatial time and the use of diluted solutions maximise liquids production. - Abstract: Cheese effluent management has become an important issue owing to its high biochemical oxygen demand and chemical oxygen demand values. Given this scenario, this work addresses the valorisation of lactose (the largest organic constituent of this waste) by aqueous phase reforming, analysing the influence of the most important operating variables (temperature, pressure, lactose concentration and mass of catalyst/lactose mass flow rate ratio) as well as optimising the process for the production of either gaseous or liquid value-added chemicals. The carbon converted into gas, liquid and solid products varied as follows: 5–41%, 33–97% and 0–59%, respectively. The gas phase was made up of a mixture of H_2 (8–58 vol.%), CO_2 (33–85 vol.%), CO (0–15 vol.%) and CH_4 (0–14 vol.%). The liquid phase consisted of a mixture of aldehydes: 0–11%, carboxylic acids: 0–22%, monohydric alcohols: 0–23%, polyhydric-alcohols: 0–48%, C3-ketones: 4–100%, C4-ketones: 0–18%, cyclic-ketones: 0–15% and furans: 0–85%. H_2 production is favoured at high pressure, elevated temperature, employing a high amount of catalyst and a concentrated lactose solution. Liquid production is preferential using diluted lactose solutions. At high pressure, the production of C3-ketones is preferential using a high temperature and a low amount of catalyst, while a medium temperature and a high amount of catalyst favours the production of furans. The production of alcohols is preferential using medium temperature and pressure and a low amount of

  13. High-Throughput Screening and Quantitative Chemical Ranking for Sodium-Iodide Symporter Inhibitors in ToxCast Phase I Chemical Library.

    Science.gov (United States)

    Wang, Jun; Hallinger, Daniel R; Murr, Ashley S; Buckalew, Angela R; Simmons, Steven O; Laws, Susan C; Stoker, Tammy E

    2018-05-01

    Thyroid uptake of iodide via the sodium-iodide symporter (NIS) is the first step in the biosynthesis of thyroid hormones that are critical for health and development in humans and wildlife. Despite having long been a known target of endocrine disrupting chemicals such as perchlorate, information regarding NIS inhibition activity is still unavailable for the vast majority of environmental chemicals. This study applied a previously validated high-throughput approach to screen for NIS inhibitors in the ToxCast phase I library, representing 293 important environmental chemicals. Here 310 blinded samples were screened in a tiered-approach using an initial single-concentration (100 μM) radioactive-iodide uptake (RAIU) assay, followed by 169 samples further evaluated in multi-concentration (0.001 μM-100 μM) testing in parallel RAIU and cell viability assays. A novel chemical ranking system that incorporates multi-concentration RAIU and cytotoxicity responses was also developed as a standardized method for chemical prioritization in current and future screenings. Representative chemical responses and thyroid effects of high-ranking chemicals are further discussed. This study significantly expands current knowledge of NIS inhibition potential in environmental chemicals and provides critical support to U.S. EPA's Endocrine Disruptor Screening Program (EDSP) initiative to expand coverage of thyroid molecular targets, as well as the development of thyroid adverse outcome pathways (AOPs).

  14. A macrothermodynamic approach to the limit of reversible capillary condensation.

    Science.gov (United States)

    Trens, Philippe; Tanchoux, Nathalie; Galarneau, Anne; Brunel, Daniel; Fubini, Bice; Garrone, Edoardo; Fajula, François; Di Renzo, Francesco

    2005-08-30

    The threshold of reversible capillary condensation is a well-defined thermodynamic property, as evidenced by corresponding states treatment of literature and experimental data on the lowest closure point of the hysteresis loop in capillary condensation-evaporation cycles for several adsorbates. The nonhysteretical filling of small mesopores presents the properties of a first-order phase transition, confirming that the limit of condensation reversibility does not coincide with the pore critical point. The enthalpy of reversible capillary condensation can be calculated by a Clausius-Clapeyron approach and is consistently larger than the condensation heat in unconfined conditions. Calorimetric data on the capillary condensation of tert-butyl alcohol in MCM-41 silica confirm a 20% increase of condensation heat in small mesopores. This enthalpic advantage makes easier the overcoming of the adhesion forces by the capillary forces and justifies the disappearing of the hysteresis loop.

  15. 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.

  16. Sedimentary condensation and authigenesis

    Science.gov (United States)

    Föllmi, Karl

    2016-04-01

    Most marine authigenic minerals form in sediments, which are subjected to condensation. Condensation processes lead to the formation of well individualized, extremely thin ( 100ky), and which experienced authigenesis and the precipitation of glaucony, verdine, phosphate, iron and manganese oxyhydroxides, iron sulfide, carbonate and/or silica. They usually show complex internal stratigraphies, which result from an interplay of sediment accumulation, halts in sedimentation, sediment winnowing, erosion, reworking and bypass. They may include amalgamated faunas of different origin and age. Hardgrounds may be part of condensed beds and may embody strongly condensed beds by themselves. Sedimentary condensation is the result of a hydrodynamically active depositional regime, in which sediment accumulation, winnowing, erosion, reworking and bypass are processes, which alternate as a function of changes in the location and intensity of currents, and/or as the result of episodic high-energy events engendered by storms and gravity flow. Sedimentary condensation has been and still is a widespread phenomenon in past and present-day oceans. The present-day distribution of glaucony and verdine-rich sediments on shelves and upper slopes, phosphate-rich sediments and phosphorite on outer shelves and upper slopes, ferromanganese crusts on slopes, seamounts and submarine plateaus, and ferromanganese nodules on abyssal seafloors is a good indication of the importance of condensation processes today. In the past, we may add the occurrence of oolitic ironstone, carbonate hardgrounds, and eventually also silica layers in banded iron formations as indicators of the importance of condensation processes. Besides their economic value, condensed sediments are useful both as a carrier of geochemical proxies of paleoceanographic and paleoenvironmental change, as well as the product of episodes of paleoceanographic and paleoenvironmental change themselves.

  17. Liquid-phase chemical hydrogen storage: catalytic hydrogen generation under ambient conditions.

    Science.gov (United States)

    Jiang, Hai-Long; Singh, Sanjay Kumar; Yan, Jun-Min; Zhang, Xin-Bo; Xu, Qiang

    2010-05-25

    There is a demand for a sufficient and sustainable energy supply. Hence, the search for applicable hydrogen storage materials is extremely important owing to the diversified merits of hydrogen energy. Lithium and sodium borohydride, ammonia borane, hydrazine, and formic acid have been extensively investigated as promising hydrogen storage materials based on their relatively high hydrogen content. Significant advances, such as hydrogen generation temperatures and reaction kinetics, have been made in the catalytic hydrolysis of aqueous lithium and sodium borohydride and ammonia borane as well as in the catalytic decomposition of hydrous hydrazine and formic acid. In this Minireview we briefly survey the research progresses in catalytic hydrogen generation from these liquid-phase chemical hydrogen storage materials.

  18. Chimera and phase-cluster states in populations of coupled chemical oscillators

    Science.gov (United States)

    Tinsley, Mark R.; Nkomo, Simbarashe; Showalter, Kenneth

    2012-09-01

    Populations of coupled oscillators may exhibit two coexisting subpopulations, one with synchronized oscillations and the other with unsynchronized oscillations, even though all of the oscillators are coupled to each other in an equivalent manner. This phenomenon, discovered about ten years ago in theoretical studies, was then further characterized and named the chimera state after the Greek mythological creature made up of different animals. The highly counterintuitive coexistence of coherent and incoherent oscillations in populations of identical oscillators, each with an equivalent coupling structure, inspired great interest and a flurry of theoretical activity. Here we report on experimental studies of chimera states and their relation to other synchronization states in populations of coupled chemical oscillators. Our experiments with coupled Belousov-Zhabotinsky oscillators and corresponding simulations reveal chimera behaviour that differs significantly from the behaviour found in theoretical studies of phase-oscillator models.

  19. Chemically and geographically distinct solid-phase iron pools in the Southern Ocean.

    Science.gov (United States)

    von der Heyden, B P; Roychoudhury, A N; Mtshali, T N; Tyliszczak, T; Myneni, S C B

    2012-11-30

    Iron is a limiting nutrient in many parts of the oceans, including the unproductive regions of the Southern Ocean. Although the dominant fraction of the marine iron pool occurs in the form of solid-phase particles, its chemical speciation and mineralogy are challenging to characterize on a regional scale. We describe a diverse array of iron particles, ranging from 20 to 700 nanometers in diameter, in the waters of the Southern Ocean euphotic zone. Distinct variations in the oxidation state and composition of these iron particles exist between the coasts of South Africa and Antarctica, with different iron pools occurring in different frontal zones. These speciation variations can result in solubility differences that may affect the production of bioavailable dissolved iron.

  20. Predicting dermal absorption of gas-phase chemicals: transient model development, evaluation, and application

    DEFF Research Database (Denmark)

    Gong, M.; Zhang, Y.; Weschler, Charles J.

    2014-01-01

    A transient model is developed to predict dermal absorption of gas-phase chemicals via direct air-to-skin-to-blood transport under non-steady-state conditions. It differs from published models in that it considers convective mass-transfer resistance in the boundary layer of air adjacent to the skin....... Results calculated with this transient model are in good agreement with the limited experimental results that are available for comparison. The sensitivity of the modeled estimates to key parameters is examined. The model is then used to estimate air-to-skin-to-blood absorption of six phthalate esters...... and less absorbed into blood than would a steady-state model. In the 7-day scenario, results calculated by the transient and steady-state models converge over a time period that varies between 3 and 4days for all but the largest phthalate (DEHP). Dermal intake is comparable to or larger than inhalation...

  1. The Northwest Infrared (NWIR) gas-phase spectral database of industrial and environmental chemicals: Recent updates

    Energy Technology Data Exchange (ETDEWEB)

    Brauer, Carolyn S.; Johnson, Timothy J.; Blake, Thomas A.; Sharpe, Steven W.; Sams, Robert L.; Tonkyn, Russell G.

    2014-05-22

    With continuing improvements in both standoff- and point-sensing techniques, there is an ongoing need for high-quality infrared spectral databases. The Northwest Infrared Database (NWIR) contains quantitative, gas-phase infrared spectra of nearly 500 pure chemical species that can be used for a variety of applications such as atmospheric monitoring, biomass burning studies, etc. The data, recorded at 0.1 cm-1 resolution, are pressure broadened to one atmosphere (N2) in order to mimic atmospheric conditions. Each spectrum is a composite composed of multiple individual measurements. Recent updates to the database include over 60 molecules that are known or suspected biomass-burning effluents. Examples from this set of measurements will be presented and experimental details will be discussed in the context of the utility of NWIR for environmental applications.

  2. Measurement and Modelling of Phase Equilibrium of Oil - Water - Polar Chemicals

    DEFF Research Database (Denmark)

    Frost, Michael Grynnerup

    in the temperature range of 303-323 K at atmospheric pressure. In the second part of this work, the CPA EoS has been used for modeling hydrocarbon systemcontaining polar chemicals, such as water and gas hydrate inhibitor MEG or methanol. All the experimental data measured in this work have been investigated using...... with the measurement of newexperimental data, but through the development of new experimental equipment for the study ofmulti-phase equilibrium. In addition to measurement of well-defined systems, LLE have beenmeasured for North Sea oils with MEG and water. The work can be split up into two parts: Experimental: VLE...... systems presented, confirming the quality of theequipment. The equipment is used for measurement of VLE for several systems of interest; methane+ water, methane + methanol, methane + methanol + water and methane + MEG. Details dealing with the design, assembling and testing of new experimental equipment...

  3. Condensation on Slippery Asymmetric Bumps

    Science.gov (United States)

    Park, Kyoo-Chul; Kim, Philseok; Aizenberg, Joanna

    2016-11-01

    Controlling dropwise condensation by designing surfaces that enable droplets to grow rapidly and be shed as quickly as possible is fundamental to water harvesting systems, thermal power generation, distillation towers, etc. However, cutting-edge approaches based on micro/nanoscale 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 couples both aspects of condensation and outperforms other synthetic surfaces. Inspired by an unconventional interpretation of the role of the beetle's bump geometry in promoting condensation, we show how to maximize vapor diffusion flux at the apex of convex millimetric bumps by optimizing curvature and shape. Integrating this apex geometry with a widening slope analogous to cactus spines couples rapid drop growth with fast directional transport, by creating a free energy profile that drives the drop down the slope. This coupling is further enhanced by a slippery, pitcher plant-inspired coating that facilitates feedback between coalescence-driven growth and capillary-driven motion. We further observe an unprecedented six-fold higher exponent in growth rate and much faster shedding time compared to other surfaces. We envision that our fundamental understanding and rational design strategy can be applied to a wide range of phase change applications.

  4. Condensate treatment and oxygen control in power plants

    International Nuclear Information System (INIS)

    Sakai, Toshiaki; Iida, Kei; Ohashi, Shinichi.

    1997-01-01

    In thermal and nuclear power stations, the steam that operated turbines is cooled and condensed with condensers. The condensate is heated again with boilers, nuclear reactors or steam generators, but if corrosion products or impurities are contained in the condensate, corrosion and scale formation occur in boilers and others. The filtration facility and the desalting facility for condensate are installed to remove impurities, but water quality control is different in thermal, BWR and PWR plants, therefore, the treatment facilities corresponding to respective condensates have been adopted. In order to reduce the amount of clud generation, the treatment of injecting a small quantity of oxygen into condensate has been adopted. In thermal power plants, all volatile treatment is carried out, in which corrosion is prevented by the addition of ammonia and hydrazine to boiler feedwater. The condensate filters of various types and the NH 4 type condensate desalter for thermal power plants are described. In BWR power plants, steam is generated in nuclear reactors, therefore, the addition of chemicals into water is never carried out, and high purity neutral water is used. In PWR power plants, the addition of chemicals to water is done in the primary system, and AVT is adopted in the secondary system. Also the condensate treatment facilities are different for both reactors. (K.I.)

  5. 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

  6. 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.

  7. The chiral phase transition in two-flavor QCD from imaginary chemical potential

    CERN Document Server

    Bonati, Claudio; D'Elia, Massimo; Philipsen, Owe; Sanfilippo, Francesco

    2014-01-01

    We investigate the order of the finite temperature chiral symmetry restoration transition for QCD with two massless fermions, by using a novel method, based on simulating imaginary values of the quark chemical potential $\\mu=i\\mu_i,\\mu_i\\in\\mathbb{R}$. Our method exploits the fact that, for low enough quark mass $m$ and large enough chemical potential $\\mu_i$, the chiral transition is decidedly first order, then turning into crossover at a critical mass $m_c(\\mu)$. It is thus possible to determine the critical line in the $m - \\mu^2$ plane, which can be safely extrapolated to the chiral limit by taking advantage of the known tricritical indices governing its shape. We test this method with standard staggered fermions and the result of our simulations is that $m_c(\\mu=0)$ is positive, so that the phase transition at zero density is definitely first order in the chiral limit, on our coarse $N_t=4$ lattices with $a\\simeq 0.3\\,\\mathrm{fm}$.

  8. Stand-Off Chemical Detection Using Photoacoustic Sensing Techniques—From Single Element to Phase Array

    Directory of Open Access Journals (Sweden)

    Deepa Gupta

    2018-01-01

    Full Text Available Technologies that can detect harmful chemicals, such as explosive devices, harmful gas leaks, airborne chemicals or/and biological agents, are heavily invested in by the government to prevent any possible catastrophic consequences. Some key features of such technology are, but not limited to, effective signal-to-noise ratio (SNR of the detected signal and extended distance between the detector and target. In this work, we describe the development of photoacoustic sensing techniques from simple to more complex systems. These techniques include passive and active noise filters, parabolic sound reflectors, a lock-in amplifier, and beam-forming with an array of microphones; using these techniques, we increased detection distance from a few cm in an indoor setting to over 41 feet in an outdoor setting. We also establish a theoretical mathematical model that explains the underlying principle of how SNR can be improved with an increasing number of microphone elements in the phase array. We validate this model with computational simulations as well as experimental results.

  9. Metal hydride/chemical heat-pump development project. Phase I. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Argabright, T.A.

    1982-02-01

    The metal hydride/chemical heat pump (MHHP) is a chemical heat pump containing two hydrides for the storage and/or recovery of thermal energy. It utilizes the heat of reaction of hydrogen with specific metal alloys. The MHHP design can be tailored to provide heating and/or cooling or temperature upgrading over a wide range of input and ambient temperatures. The system can thus be used with a variety of heat sources including waste heat, solar energy or a fossil fuel. The conceptual design of the MHHP was developed. A national market survey including a study of applications and market sectors was conducted. The technical tasks including conceptual development, thermal and mechanical design, laboratory verification of design and material performance, cost analysis and the detailed design of the Engineering Development Test Unit (EDTU) were performed. As a result of the market study, the temperature upgrade cycle of the MHHP was chosen for development. Operating temperature ranges for the upgrader were selected to be from 70 to 110/sup 0/C (160 to 230/sup 0/F) for the source heat and 140 to 190/sup 0/C (280 to 375/sup 0/F) for the product heat. These ranges are applicable to many processes in industries such as food, textile, paper and pulp, and chemical. The hydride pair well suited for these temperatures is LaNi/sub 5//LaNi/sub 4/ /sub 5/Al/sub 0/ /sub 5/. The EDTU was designed for the upgrade cycle. It is a compact finned tube arrangement enclosed in a pressure vessel. This design incorporates high heat transfer and low thermal mass in a system which maximizes the coefficient of performance (COP). It will be constructed in Phase II. Continuation of this effort is recommended.

  10. Understanding the solid phase chemical fractionation of uranium in soil and effect of ageing

    Energy Technology Data Exchange (ETDEWEB)

    Rout, Sabyasachi, E-mail: srout.barc@gmail.com [Health Physics Division, Bhabha Atomic Research Centre, Mumbai (India); Kumar, Ajay [Health Physics Division, Bhabha Atomic Research Centre, Mumbai (India); Ravi, P.M.; Tripathi, R.M. [Homi Bhabha National Institute Anushaktinagar, Mumbai (India)

    2016-11-05

    Highlights: • Apart of U(VI) converted to U(IV) during adsorption to soil. • Ageing leads to rearrangement of chemical fractionation of U in soil. • Organic matter and carbonate minerals responsible for Surface enrichment of U. • There occurs Occlusion of U-Fe-Oxides (Hydroxide) in to silica. - Abstract: The aim of the present work is to understand the solid phase chemical fractionation of Uranium (U) in soil and the mechanism involved. This study integrated batch experiments of U(VI) adsorption to soil, study of U in different soil fractions, ageing impact on fractionation of U and spectroscopic investigation of adsorbed U(VI) using X-ray Photoelectron Spectroscopy (XPS). For the study three soils, pedogenically different (S1: Igneous, S2: Sedimentary and S3: Metamorphic) were amended with U(VI) and chemical fractionation of U was studied by sequential extraction after an interval of one month and 12 months. It was found that there occurs a significant rearrangement of U in different fractions with ageing and no correlation was observed between the U content in different fractions and the adsorbents of respective fractions such as soil organic matter (SOM), Fe/Mn oxides (hydroxides) carbonates, soil cation exchange capacity (CEC). XPS study revealed that surface enrichment of U mainly governed by the carbonate minerals and SOM, whereas bulk concentration was controlled by the oxides (hydroxides) of Si and Al. Occlusion of U-Fe-oxides (hydroxides) on silica was identified as an important mechanism for bulk enrichment (Increase in residual fraction) and depletion of U concentration in reducible fraction.

  11. Understanding the solid phase chemical fractionation of uranium in soil and effect of ageing

    International Nuclear Information System (INIS)

    Rout, Sabyasachi; Kumar, Ajay; Ravi, P.M.; Tripathi, R.M.

    2016-01-01

    Highlights: • Apart of U(VI) converted to U(IV) during adsorption to soil. • Ageing leads to rearrangement of chemical fractionation of U in soil. • Organic matter and carbonate minerals responsible for Surface enrichment of U. • There occurs Occlusion of U-Fe-Oxides (Hydroxide) in to silica. - Abstract: The aim of the present work is to understand the solid phase chemical fractionation of Uranium (U) in soil and the mechanism involved. This study integrated batch experiments of U(VI) adsorption to soil, study of U in different soil fractions, ageing impact on fractionation of U and spectroscopic investigation of adsorbed U(VI) using X-ray Photoelectron Spectroscopy (XPS). For the study three soils, pedogenically different (S1: Igneous, S2: Sedimentary and S3: Metamorphic) were amended with U(VI) and chemical fractionation of U was studied by sequential extraction after an interval of one month and 12 months. It was found that there occurs a significant rearrangement of U in different fractions with ageing and no correlation was observed between the U content in different fractions and the adsorbents of respective fractions such as soil organic matter (SOM), Fe/Mn oxides (hydroxides) carbonates, soil cation exchange capacity (CEC). XPS study revealed that surface enrichment of U mainly governed by the carbonate minerals and SOM, whereas bulk concentration was controlled by the oxides (hydroxides) of Si and Al. Occlusion of U-Fe-oxides (hydroxides) on silica was identified as an important mechanism for bulk enrichment (Increase in residual fraction) and depletion of U concentration in reducible fraction.

  12. Chemically bonded carbon nanotubes on modified gold substrate as novel unbreakable solid phase microextraction fiber

    International Nuclear Information System (INIS)

    Bagheri, H.; Ayazi, Z.; Sistani, H.

    2011-01-01

    A new technique is introduced for preparation of an unbreakable fiber using gold wire as a substrate for solid phase microextraction (SPME). A gold wire is used as a solid support, onto which a first film is deposited that consists of a two-dimensional polymer obtained by hydrolysis of a self-assembled monolayer of 3-(trimethoxysilyl)-1-propanthiol. This first film is covered with a layer of 3-(triethoxysilyl)-propylamine. Next, a stationary phase of oxidized multi-walled carbon nanotubes was chemically bound to the surface. The synthetic strategy was verified by Fourier transform infrared spectroscopy and scanning electron microscopy. Thermal stability of new fiber was examined by thermogravimetric analysis. The applicability of the novel coating was verified by its employment as a SPME fiber for isolation of diazinon and fenthion, as model compounds. Parameters influencing the extraction process were optimized to result in limits of detection as low as 0.2 ng mL -1 for diazinon, and 0.3 ng mL -1 for fenthion using the time-scheduled selected ion monitoring mode. The method was successfully applied to real water, and the recoveries for spiked samples were 104% for diazinon and 97% for fenthion. (author)

  13. Poly High Internal Phase Emulsion for the Immobilization of Chemical Warfare Agents.

    Science.gov (United States)

    Wright, Alexander J; Main, Marcus J; Cooper, Nicholas J; Blight, Barry A; Holder, Simon J

    2017-09-20

    We report a facile method for the absorption (characterized by the weight/weight swelling degree, Q) of a variety of chemical warfare agents (CWAs); including sulfur mustard (HD) (Q = 40) and V-series (VM, VX, i-Bu-VX, n-Bu-VX) of nerve agents (Q ≥ 45) and a simulant, methyl benzoate (Q = 55), through the use of a poly(styrene-co-vinyl benzyl chloride-co-divinylbenzene) lightly cross-linked poly high internal phase emulsion (polyHIPE). By varying the vinyl benzyl chloride (VBC) content and the volume of the internal phase of the precursor emulsion it is demonstrated that absorption is facilitated both by the swelling of the polymer and the uptake of liquid in the pores. In particular the sample prepared from a 95% internal emulsion water content showed rapid swelling (<5 min to total absorption) and the ability to swell both from a monolithic state and from a compressed state, making these systems ideal practical candidates for the rapid immobilization of CWAs.

  14. Sensitivity analysis and economic optimization studies of inverted five-spot gas cycling in gas condensate reservoir

    Directory of Open Access Journals (Sweden)

    Shams Bilal

    2017-08-01

    Full Text Available 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.

  15. 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).

  16. 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...

  17. Gas and particle phase chemical characterization of photochemical smog in Beijing and Hong Kong

    Science.gov (United States)

    Hallquist, Mattias; Le Breton, Michael; Guo, Song; Zhen Yu, Jian; Hallquist, Åsa. M.; Pathak, Ravi K.; Liu, Qianyun; Wang, Yuchen; Li, Jinjian; Chan, Chak K.; Wang, Yujue; Zheng, Jing; Yang, Yudong; Lu, Keding; Wu, Zhijun; Hu, Min

    2017-04-01

    Secondary chemistry transforming primary pollutants is of high relevance for Chinese photochemical smog. In particular, formation of ozone (O3) and particulate matter (PM), including Secondary Organic Aerosols (SOA), are of major concern regarding impacts on health, climate and ecosystems. The atmospheric oxidation processes leading to SOA formation are complex and involves thousands of different compounds, both of biogenic and anthropogenic origin. Furthermore, for a thorough understanding both the gas and the particle phase need to be considered. As part of an intercollaborative project to assess the photochemical smog in China, two major field campaigns were arranged in 2016; in Changping, Bejing during springtime and at HKUST, Hong Kong during the autumn. Alongside with other advanced instrumentations, a Time of Flight Chemical Ionisation Mass Spectrometer (ToF CIMS) utilising the Filiter Inlet for Gases and AEROsols (FIGAERO) was used to chemically characterize the gas and the particle phase. This specific instrument applies soft ionization limiting the fragmentation and one can usually identify molecular composition of hundreds of different parent molecules. In both Beijing and Hong Kong the iodide ionization scheme was utilised, making it possible to specifically detect oxygenated compounds such as carboxylic acids, organic nitrates and sulphates as well as some inorganic compounds e.g. N2O5, ClNO2, and HONO. For numerous compounds significant levels were detected in both the gas and particle phase enabling evaluation of partitioning and gas-to-particle transformation and its relationship to atmospheric conditions and estimated vapour pressures. Furthermore, the detection of molecular markers such as levoglucosan, C6H5NO3, C10H16NSO7, C5H8SO7, C5H8O4 can support source apportionment and atmospheric process description. In order to further investigate atmospheric ageing/processing a portable laminar flow reactor (Go:PAM) was for selected periods utilized to

  18. Laser diagnostics of a diamond depositing chemical vapour deposition gas-phase environment

    Energy Technology Data Exchange (ETDEWEB)

    Smith, James Anthony

    2002-07-01

    Studies have been carried out to understand the gas-phase chemistry underpinning diamond deposition in hot filament and DC-arcjet chemical vapour deposition (CVD) systems. Resonance enhanced Multiphoton lonisation (REMPI) techniques were used to measure the relative H atom and CH{sub 3} radical number densities and local gas temperatures prevalent in a hot filament reactor, operating on Ch{sub 4}/H{sub 2} and C{sub 2}H{sub 2}/H{sub 2} gas mixtures. These results were compared to a 3D-computer simulation, and hence provided an insight into the nature of the gas-phase chemistry with particular reference to C{sub 2}{yields}C{sub 1} species conversion. Similar experimental and theoretical studies were also carried out to explain the chemistry involved in NH{sub 3}/CH{sub 4}/H{sub 2} and N{sub 2}/CH{sub 4}/H{sub 2} gas mixtures. It was demonstrated that the reactive nature of the filament surface was dependent on the addition of NH{sub 3}, influencing atomic hydrogen production, and thus the H/C/N gas-phase chemistry. Studies of the DC-arcjet diamond CVD reactor consisted of optical emission spectroscopic studies of the plume during deposition from an Ar/H{sub 2}/CH{sub 4}/N{sub 2} gas mixture. Spatially resolved species emission intensity maps were obtained for C{sub 2}(d{yields}a), CN(B{yields}X) and H{sub {beta}} from Abel-inverted datasets. The C{sub 2}(d{yields}a) and CN(B{yields}X) emission intensity maps both show local maxima near the substrate surface. SEM and Laser Raman analyses indicate that N{sub 2} additions lead to a reduction in film quality and growth rate. Photoluminescence and SIMS analyses of the grown films provide conclusive evidence of nitrogen incorporation (as chemically bonded CN). Absolute column densities of C{sub 2}(a) in a DC-arcjet reactor operating on an Ar/H{sub 2}/CH{sub 4} gas mixture, were measured using Cavity ring down spectroscopy. Simulations of the measured C{sub 2}(v=0) transition revealed a rotational temperature of {approx

  19. Laser diagnostics of a diamond depositing chemical vapour deposition gas-phase environment

    International Nuclear Information System (INIS)

    Smith, James Anthony

    2002-01-01

    Studies have been carried out to understand the gas-phase chemistry underpinning diamond deposition in hot filament and DC-arcjet chemical vapour deposition (CVD) systems. Resonance enhanced Multiphoton lonisation (REMPI) techniques were used to measure the relative H atom and CH 3 radical number densities and local gas temperatures prevalent in a hot filament reactor, operating on Ch 4 /H 2 and C 2 H 2 /H 2 gas mixtures. These results were compared to a 3D-computer simulation, and hence provided an insight into the nature of the gas-phase chemistry with particular reference to C 2 →C 1 species conversion. Similar experimental and theoretical studies were also carried out to explain the chemistry involved in NH 3 /CH 4 /H 2 and N 2 /CH 4 /H 2 gas mixtures. It was demonstrated that the reactive nature of the filament surface was dependent on the addition of NH 3 , influencing atomic hydrogen production, and thus the H/C/N gas-phase chemistry. Studies of the DC-arcjet diamond CVD reactor consisted of optical emission spectroscopic studies of the plume during deposition from an Ar/H 2 /CH 4 /N 2 gas mixture. Spatially resolved species emission intensity maps were obtained for C 2 (d→a), CN(B→X) and H β from Abel-inverted datasets. The C 2 (d→a) and CN(B→X) emission intensity maps both show local maxima near the substrate surface. SEM and Laser Raman analyses indicate that N 2 additions lead to a reduction in film quality and growth rate. Photoluminescence and SIMS analyses of the grown films provide conclusive evidence of nitrogen incorporation (as chemically bonded CN). Absolute column densities of C 2 (a) in a DC-arcjet reactor operating on an Ar/H 2 /CH 4 gas mixture, were measured using Cavity ring down spectroscopy. Simulations of the measured C 2 (v=0) transition revealed a rotational temperature of ∼3300 K. This gas temperature is similar to that deduced from optical emission spectroscopy studies of the C 2 (d→a) transition. (author)

  20. Melting the diquark condensate in two-color QCD: A renormalization group analysis

    International Nuclear Information System (INIS)

    Wirstam, J.; Lenaghan, J.T.; Splittorff, K.

    2003-01-01

    We use a Landau theory and the ε expansion to study the superfluid phase transition of two-color QCD at a nonzero temperature T and baryonic chemical potential μ. At low T, and for N f flavors of massless quarks, the global SU(N f )xSU(N f )xU(1) symmetry is spontaneously broken by a diquark condensate down to Sp(N f )xSp(N f ) for any μ>0. As the temperature increases, the diquark condensate melts, and at sufficiently large T the symmetry is restored. Using renormalization group arguments, we find that in the presence of the chiral anomaly term there can be a second order phase transition when N f =2 or N f ≥6, while the transition is first order for N f =4. We discuss the relevance of these results for the emergence of a tricritical point recently observed in lattice simulations

  1. 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...

  2. Cloud condensation nuclei from biomass burning

    International Nuclear Information System (INIS)

    Rogers, C.F.; Hudson, J.G.; Zielinska, B.; Tanner, R.L.; Hallett, J.; Watson, J.G.

    1991-01-01

    In this work, the authors have analyzed biomass and crude oil smoke samples for ionic and organic species. The cloud condensation nuclei activities of the smoke particles are discussed in terms of the measured chemical compositions of the smoke samples. The implications of biomass burning to global climatic change are discussed

  3. Chiral density wave versus pion condensation at finite density and zero temperature

    Science.gov (United States)

    Andersen, Jens O.; Kneschke, Patrick

    2018-04-01

    The quark-meson model is often used as a low-energy effective model for QCD to study the chiral transition at finite temperature T , baryon chemical potential μB , and isospin chemical potential μI . We determine the parameters of the model by matching the meson and quark masses, as well as the pion decay constant to their physical values using the on shell (OS) and modified minimal subtraction (MS ¯ ) schemes. In this paper, the existence of different phases at zero temperature is studied. In particular, we investigate the competition between an inhomogeneous chiral condensate and a homogeneous pion condensate. For the inhomogeneity, we use a chiral-density wave ansatz. For a sigma mass of 600 MeV, we find that an inhomogeneous chiral condensate exists only for pion masses below approximately 37 MeV. We also show that due to our parameter fixing, the onset of pion condensation takes place exactly at μIc=1/2 mπ in accordance with exact results.

  4. Synthesis, spectroscopic analyses (FT-IR and NMR), vibrational study, chemical reactivity and molecular docking study and anti-tubercular activity of condensed oxadiazole and pyrazine derivatives

    Science.gov (United States)

    El-Azab, Adel S.; Mary, Y. Sheena; Abdel-Aziz, Alaa A. M.; Miniyar, Pankaj B.; Armaković, Stevan; Armaković, Sanja J.

    2018-03-01

    The Fourier transform infrared spectra of the compounds 2-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazine (PHOXPY), 2-(5-styryl-1,3,4-oxadiazol-2-yl)pyrazine (STOXPY) and 2-(5-(furan-2-yl)-1,3,4-oxadiazol-2-yl)pyrazine (FUOXPY) have been recorded and the wavenumbers are computed at the density functional theory level. The assignments of all the fundamental bands of each molecule are made using potential energy distribution. The computed values of dipole moment, polarizability and hyperpolarizability values indicate that the title molecules exhibit NLO properties. The HOMO and LUMO energies demonstrate the chemical stability of the molecules and NBO analysis is made to study the stability of molecules arising from hyper conjugative interactions and charge delocalization. Detailed computational analysis and spectroscopic characterization has been performed for three newly synthesized oxadiazole derivatives. Obtained computational and experimental results have been mutually compared in order to understand the influence of structural parts specific for each derivative. From the MIC determination, MTb H37Rv was found to be sensitive to compounds, PHOXPY, STOXPY and FUOXPY. The results obtained from anti-TB activity are more promising as the compounds were found to be more potent than reference standards, streptomycin and pyrazinamide. Efforts were made in order to predict both global and local reactive properties of the title oxadiazole derivatives, including their sensitivity towards autoxidation mechanism and influence of water. The results obtained from anti-TB activity are more promising for the title compounds. Interaction with representative protein Pterindeaminase inhibitor asricin A was also investigated using the molecular docking procedure. The docked ligands form stable complexes with the receptor ricin A and the docking results suggest that these compounds can be developed as new anti-cancer drugs.

  5. Bose-Einstein condensation of paraxial light

    OpenAIRE

    Klaers, J.; Schmitt, J.; Damm, T.; Vewinger, F.; Weitz, M.

    2011-01-01

    Photons, due to the virtually vanishing photon-photon interaction, constitute to very good approximation an ideal Bose gas, but owing to the vanishing chemical potential a (free) photon gas does not show Bose-Einstein condensation. However, this is not necessarily true for a lower-dimensional photon gas. By means of a fluorescence induced thermalization process in an optical microcavity one can achieve a thermal photon gas with freely adjustable chemical potential. Experimentally, we have obs...

  6. Finite-size, chemical-potential and magnetic effects on the phase transition in a four-fermion interacting model

    Energy Technology Data Exchange (ETDEWEB)

    Correa, E.B.S. [Universidade Federal do Sul e Sudeste do Para, Instituto de Ciencias Exatas, Maraba (Brazil); Centro Brasileiro de Pesquisas Fisicas-CBPF/MCTI, Rio de Janeiro (Brazil); Linhares, C.A. [Universidade do Estado do Rio de Janeiro, Instituto de Fisica, Rio de Janeiro (Brazil); Malbouisson, A.P.C. [Centro Brasileiro de Pesquisas Fisicas-CBPF/MCTI, Rio de Janeiro (Brazil); Malbouisson, J.M.C. [Universidade Federal da Bahia, Instituto de Fisica, Salvador (Brazil); Santana, A.E. [Universidade de Brasilia, Instituto de Fisica, Brasilia, DF (Brazil)

    2017-04-15

    We study effects coming from finite size, chemical potential and from a magnetic background on a massive version of a four-fermion interacting model. This is performed in four dimensions as an application of recent developments for dealing with field theories defined on toroidal spaces. We study effects of the magnetic field and chemical potential on the size-dependent phase structure of the model, in particular, how the applied magnetic field affects the size-dependent critical temperature. A connection with some aspects of the hadronic phase transition is established. (orig.)

  7. Physico-chemical and mechanical properties of microencapsulated phase change material

    International Nuclear Information System (INIS)

    Giro-Paloma, Jessica; Oncins, Gerard; Barreneche, Camila; Martínez, Mònica; Fernández, A. Inés; Cabeza, Luisa F.

    2013-01-01

    Highlights: ► Microencapsulated phase change material MPCM (Micronal∗ DS 5001) was evaluated in this study. ► Due to the reported microcapsules breakage, physical and mechanical properties were analysed. ► Mechanical response was evaluated by AFM with indentation mode under different temperatures. ► The main result is that stiffness of MPCM depends on the temperature assay and particle size. - Abstract: Microencapsulated phase change materials (MPCM) are well known in advanced technologies for the utilization in active and passive systems, which have the capacity to absorb and slowly release the latent heat involved in a phase change process. Microcapsules consist of little containers, which are made of polymer on the outside, and paraffin wax as PCM in the inside. The use of microencapsulated PCM has many advantages as microcapsules can handle phase change materials as core allowing the preparation of slurries. However there are some concerns about cycling of MPCM slurries because of the breakage of microcapsules during charging/discharging and the subsequent loss of effectiveness. This phenomenon motivates the study of the mechanical response when a force is applied to the microcapsule. The maximum force that Micronal® DS 5001 can afford before breaking was determined by Atomic Force Microscopy (AFM). To simulate real conditions in service, assays were done at different temperatures: with the PCM in solid state at 25 °C, and with the PCM melted at 45 °C and 80 °C. To better understand the behavior of these materials, Micronal® DS 5001 microcapsules were characterized using different physic-chemical techniques. Microcapsules Fourier Transform Infrared Spectroscopy (FT-IR) results showed the main vibrations corresponding to acrylic groups of the outside polymer. Thermal stability was studied by Thermogravimetrical Analysis (TGA), and X-ray Fluorescence (XRF) was used to characterize the resulting inorganic residue. The thermal properties were

  8. Application of the string method to the study of critical nuclei in capillary condensation.

    Science.gov (United States)

    Qiu, Chunyin; Qian, Tiezheng; Ren, Weiqing

    2008-10-21

    We adopt a continuum description for liquid-vapor phase transition in the framework of mean-field theory and use the string method to numerically investigate the critical nuclei for capillary condensation in a slit pore. This numerical approach allows us to determine the critical nuclei corresponding to saddle points of the grand potential function in which the chemical potential is given in the beginning. The string method locates the minimal energy path (MEP), which is the most probable transition pathway connecting two metastable/stable states in configuration space. From the MEP, the saddle point is determined and the corresponding energy barrier also obtained (for grand potential). Moreover, the MEP shows how the new phase (liquid) grows out of the old phase (vapor) along the most probable transition pathway, from the birth of a critical nucleus to its consequent expansion. Our calculations run from partial wetting to complete wetting with a variable strength of attractive wall potential. In the latter case, the string method presents a unified way for computing the critical nuclei, from film formation at solid surface to bulk condensation via liquid bridge. The present application of the string method to the numerical study of capillary condensation shows the great power of this method in evaluating the critical nuclei in various liquid-vapor phase transitions.

  9. Separation of Corn Fiber and Conversion to Fuels and Chemicals Phase II: Pilot-scale Operation

    Energy Technology Data Exchange (ETDEWEB)

    Abbas, Charles; Beery, Kyle; Orth, Rick; Zacher, Alan

    2007-09-28

    The purpose of the Department of Energy (DOE)-supported corn fiber conversion project, “Separation of Corn Fiber and Conversion to Fuels and Chemicals Phase II: Pilot-scale Operation” is to develop and demonstrate an integrated, economical process for the separation of corn fiber into its principal components to produce higher value-added fuel (ethanol and biodiesel), nutraceuticals (phytosterols), chemicals (polyols), and animal feed (corn fiber molasses). This project has successfully demonstrated the corn fiber conversion process on the pilot scale, and ensured that the process will integrate well into existing ADM corn wet-mills. This process involves hydrolyzing the corn fiber to solubilize 50% of the corn fiber as oligosaccharides and soluble protein. The solubilized fiber is removed and the remaining fiber residue is solvent extracted to remove the corn fiber oil, which contains valuable phytosterols. The extracted oil is refined to separate the phytosterols and the remaining oil is converted to biodiesel. The de-oiled fiber is enzymatically hydrolyzed and remixed with the soluble oligosaccharides in a fermentation vessel where it is fermented by a recombinant yeast, which is capable of fermenting the glucose and xylose to produce ethanol. The fermentation broth is distilled to remove the ethanol. The stillage is centrifuged to separate the yeast cell mass from the soluble components. The yeast cell mass is sold as a high-protein yeast cream and the remaining sugars in the stillage can be purified to produce a feedstock for catalytic conversion of the sugars to polyols (mainly ethylene glycol and propylene glycol) if desirable. The remaining materials from the purification step and any materials remaining after catalytic conversion are concentrated and sold as a corn fiber molasses. Additional high-value products are being investigated for the use of the corn fiber as a dietary fiber sources.

  10. Atmospheric Peroxy Radical Measurements by Chemical Amplification - Cavity Attenuated Phase Shift Spectroscopy

    Science.gov (United States)

    Wood, E. C.; Charest, J. R.

    2013-12-01

    We present a new chemical amplifier for the detection of peroxy radicals using Cavity Attenuated Phase Shift spectroscopy (CAPS) detection of NO2. The amplification scheme is similar to other chemical amplifiers and involves addition of CO (8%) and NO (3 ppm) to air sampled in a PFA tube. The chain length is quantified by amplification of a known concentration of methyl peroxy radicals (CH3O2) and peroxyacetyl radicals (CH3COO2) sampled by the instrument's reactor. The CH3O2 and CH3COO2 radicals are produced by photolysis of acetone at 254 nm and quantified by conversion to NO2 by reaction with excess NO. The chain length (CL) in dry air is over 200 and constant at RO2 concentrations under 500 ppt. The CL decreases by 55% at a relative humidity of 50%. A 0.95 cm (3/8') ID PFA tube, a 0.32 cm (1/8' ID) PFA tube, and a 0.48 cm ID quartz reactor give near-identical chain lengths and RH dependence, demonstrating the small importance of wall reactions (for clean tubing) as radical termination steps. The instrument comprises two independent inlets and CAPS detectors, allowing for simultaneous measurements in ROx mode (= NO2 + O3 + RO2 + HO2) and Ox mode (= NO2 + O3) thereby greatly reducing the effect of variations in background [Ox]. The 1σ precision of the instrument at constant background [Ox] and 0% relative humidity is 0.2 ppt ROx with 100 second averaging and increases to 0.3 ppt at an RH of 50%. The absolute uncertainty of the measurements is estimated as 20% and is affected by the accuracy of the NO2 calibration, the precision of the CAPS when calibrating at low RO2 concentrations, and the uncertainty in the photolysis quantum yield for the CH3CO + CH3 channel of acetone photolysis.

  11. Evaluation of liquid-phase oxidation for the destruction of potential chemical terrorism agents

    Energy Technology Data Exchange (ETDEWEB)

    Thouin, G.; Harrison, S.; Li, K.; Kuang, W.; Volchek, K.; Fingas, M. [Environment Canada, Ottawa, ON (Canada). Emergencies Science Div; Potaraju, S.; Velicogna, D.; Obenauf, A. [SAIC Canada, Ottawa, ON (Canada)

    2005-07-01

    Although pesticides are designed to protect crops and livestock against insects, fungi or nuisance plants, the toxicity of these compounds is not limited to target species. Organophosphorus, organochlorine and carbamate pesticides all target the nervous systems of insects. This paper assessed the effectiveness of an enhanced oxidation process using peroxycarboxylic acids for the liquid-phase destruction of toxic industrial chemicals, considered to be potential agents of chemical terrorism. Peroxyacetic acid (PAA) and peroxypropionic acid (PPA) were tested as decontamination agents on organophosphorus, organochlorine and carbamate pesticides. The processes were reviewed in relation to the terms of percent agent destruction over time, with a target of 90 per cent destruction within 30 minutes. Effectiveness was also assessed on the accumulation of toxic by-products. A background of the pesticides was presented, as well as details of their various applications. The molecular structures of the compounds were also provided. Oxidation extraction procedures, materials and methods were also presented, as well as analytical techniques, method detection limits and issues concerning reproducibility. The pH profile of PAA and PPA as a function of the concentration in acid was studied in order to determine which was more likely to be corrosive. It was concluded that peroxycarboxylic acids are effective decontamination agents for organophosphorous and carbamate pesticides. PAA and PPA are equally effective in degrading the examined pesticides, however, greater amounts of toxic by-products are found with PPA than with PAA. Neither PAA nor PPA were able to degrade lindane, and more lindane was found in the treated samples than in the controls. It was noted that time profiles for lower concentrations of peroxycarboxylic acids and pH profiles are currently being developed. It was suggested that further research in this area included degradation experiments on various types of

  12. Deepak Condenser Model (DeCoM)

    Science.gov (United States)

    Patel, Deepak

    2013-01-01

    Development of the DeCoM comes from the requirement of analyzing the performance of a condenser. A component of a loop heat pipe (LHP), the condenser, is interfaced with the radiator in order to reject heat. DeCoM simulates the condenser, with certain input parameters. Systems Improved Numerical Differencing Analyzer (SINDA), a thermal analysis software, calculates the adjoining component temperatures, based on the DeCoM parameters and interface temperatures to the radiator. Application of DeCoM is (at the time of this reporting) restricted to small-scale analysis, without the need for in-depth LHP component integrations. To efficiently develop a model to simulate the LHP condenser, DeCoM was developed to meet this purpose with least complexity. DeCoM is a single-condenser, single-pass simulator for analyzing its behavior. The analysis is done based on the interactions between condenser fluid, the wall, and the interface between the wall and the radiator. DeCoM is based on conservation of energy, two-phase equations, and flow equations. For two-phase, the Lockhart- Martinelli correlation has been used in order to calculate the convection value between fluid and wall. Software such as SINDA (for thermal analysis analysis) and Thermal Desktop (for modeling) are required. DeCoM also includes the ability to implement a condenser into a thermal model with the capability of understanding the code process and being edited to user-specific needs. DeCoM requires no license, and is an open-source code. Advantages to DeCoM include time dependency, reliability, and the ability for the user to view the code process and edit to their needs.

  13. ANALYSIS OF CHEMICAL AND PHASE TRANSITIONS OF MULTICOMPONENT ALLOYS UNDER PULSED LASER EXPOSURE IN THE AIR BY METHODS OF CHEMICAL THERMODYNAMICS

    Directory of Open Access Journals (Sweden)

    V. P. Veiko

    2013-03-01

    Full Text Available The article deals with computational thermodynamic method for determination of phase chemical composition of metal alloys surface formed under laser action in the atmosphere, depending on its volume components, conditions of laser exposure and atmosphere composition. By giving an example of laser heating of complex alloy (alloyed steel in the air it is demonstrated that from a set of various possible reactions of interaction between iron, nickel or chrome with air components (oxygen, nitrogen, carbon, their compounds, atmospheric moisture, etc., only strictly defined reactions are realized. Primarily, these are metal oxidation processes with the formation of an oxide film, whose phase and chemical composition is determined by temperature and heating time. Calculation data are confirmed by the experimental data provided by energy-dispersive X-ray spectroscopy.

  14. Amorphous bimetallic alloys prepared by steam condensation

    International Nuclear Information System (INIS)

    Drago, V.

    1988-01-01

    Amorphous alloys of MnSn are prepared by steam condensation, in a substratum with a temperature near of the liquid helium. The magnetic and paramagnetic hyperfine spectrum and the ordination temperature by Moessbauer effect 119Sn are measured. A diagram of magnetic phase is proposed, basing on the measures of Moessbauer effect. (C.G.C.) [pt

  15. Energy condensed packaged systems. Composition, production, properties

    Directory of Open Access Journals (Sweden)

    Igor L. Kovalenko

    2015-03-01

    Full Text Available In this paper it is presented the substantiation of choice of fuel phase composition and optimal technology of emulsion production on the basis of binary solution of ammonium and calcium nitrates, which provide the obtaining of energy condensed packaged systems with specified properties. The thermal decomposition of energy condensed systems on the basis of ammonium nitrate is investigated. It is shown that the fuel phase of emulsion systems should be based on esters of polyunsaturated acids or on combinations thereof with petroleum products. And ceresin or petroleum wax can be used as the structuring additive. The influence of the technology of energy condensed systems production on the physicochemical and detonation parameters of emulsion explosives is considered. It is shown the possibility of obtaining of emulsion systems with dispersion of 1.3...1.8 microns and viscosity higher than 103 Pa∙s in the apparatus of original design. The sensitizing effect of chlorinated paraffin CP-470 on the thermolysis of energy condensed emulsion system is shown. The composition and production technology of energy condensed packaged emulsion systems of mark Ukrainit-P for underground mining in mines not dangerous on gas and dust are developed.

  16. Blockage-induced condensation controlled by a local reaction

    Science.gov (United States)

    Cirillo, Emilio N. M.; Colangeli, Matteo; Muntean, Adrian

    2016-10-01

    We consider the setup of stationary zero range models and discuss the onset of condensation induced by a local blockage on the lattice. We show that the introduction of a local feedback on the hopping rates allows us to control the particle fraction in the condensed phase. This phenomenon results in a current versus blockage parameter curve characterized by two nonanalyticity points.

  17. 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.

  18. Coexistence of hyperon and π condensation in neutron stars

    International Nuclear Information System (INIS)

    Isshiki, Akinori

    2000-01-01

    We consider the coexistence of hyperon and π condensation in neutron stars. The coexistence phase may occur because of the strong ΛΣπ coupling. Hyperon can appear under π condensation, because short range repulsion reduce the π-baryon p wave attraction. The system approaches the Fermi gas because of this reduction. (author)

  19. Chemical composition and mixing-state of ice residuals sampled within mixed phase clouds

    Science.gov (United States)

    Ebert, M.; Worringen, A.; Benker, N.; Mertes, S.; Weingartner, E.; Weinbruch, S.

    2010-10-01

    During an intensive campaign at the high alpine research station Jungfraujoch, Switzerland, in February/March 2006 ice particle residuals within mixed-phase clouds were sampled using the Ice-counterflow virtual impactor (Ice-CVI). Size, morphology, chemical composition, mineralogy and mixing state of the ice residual and the interstitial (i.e., non-activated) aerosol particles were analyzed by scanning and transmission electron microscopy. Ice nuclei (IN) were identified from the significant enrichment of particle groups in the ice residual (IR) samples relative to the interstitial aerosol. In terms of number lead-bearing particles are enriched by a factor of approximately 25, complex internal mixtures with silicates or metal oxides as major components by a factor of 11, and mixtures of secondary aerosol and soot (C-O-S particles) by a factor of 2. Other particle groups (sulfates, sea salt, Ca-rich particles, external silicates) observed in the ice-residual samples cannot be assigned unambiguously as IN. Between 9 and 24% of all IR are Pb-bearing particles. Pb was found as major component in around 10% of these particles (PbO, PbCl2). In the other particles, Pb was found as some 100 nm sized agglomerates consisting of 3-8 nm sized primary particles (PbS, elemental Pb). C-O-S particles are present in the IR at an abundance of 17-27%. The soot component within these particles is strongly aged. Complex internal mixtures occur in the IR at an abundance of 9-15%. Most IN identified at the Jungfraujoch station are internal mixtures containing anthropogenic components (either as main or minor constituent), and it is concluded that admixture of the anthropogenic component is responsible for the increased IN efficiency within mixed phase clouds. The mixing state appears to be a key parameter for the ice nucleation behaviour that cannot be predicted from the separate components contained within the individual particles.

  20. Millstone 3 condensate dissolved gas monitoring

    International Nuclear Information System (INIS)

    Burns, T.F.; Grondahl, E.E.; Snyder, D.T.

    1988-01-01

    Condensate dissolved oxygen problems at Millstone Point Unit 3 (MP3) were investigated using the Dissolved Gas Monitoring System developed by Radiological and Chemical Technology, Inc. under EPRI sponsorship. Argon was injected into the turbine exhaust basket tips to perform a dissolved gas transport analysis and determine steam jet air ejector gas removal efficiency. The operating configuration of the steam jet air ejector system was varied to determine the effect on gas removal efficiency. Following circulating water chlorination, the gas removal efficiency was determined to evaluate the effect of condenser tube fouling on steam jet air ejector performance

  1. Hysteretic capillary condensation in a porous material

    International Nuclear Information System (INIS)

    Lilly, M.P.; Hallock, R.B.

    1995-01-01

    The authors report on the behavior of hysteresis subloops in the capillary condensation of 4 He in the porous material Nuclepore. For hysteretic systems composed of many independent elements, the Preisach model may be used to predict the behavior of the resulting hysteresis. One prediction is that subloops with common chemical potential endpoints will be congruent. The observations of such subloops show that the prediction of congruence fails for this capillary condensation system. To understand deviations from Preisach behavior the authors modify the model to account for intersections among the pores. The modified model is in close agreement with the experimental results

  2. Bose-condensation through resonance decay

    International Nuclear Information System (INIS)

    Ornik, U.; Pluemer, M.; Strottman, D.

    1993-04-01

    We show that a system described by an equation of state which contains a high number of degrees of freedom (resonances) can create a considerable amount of superfluid (condensed) pions through the decay of short-lived resonances, if baryon number and entropy are large and the dense matter decouples from chemical equilibrium earlier than from thermal equilibrium. The system cools down faster in the presence of a condensate, an effect that may partially compensate the enhancement of the lifetime expected in the case of quark-gluon-plasma formation. (orig.). 3 figs

  3. Targeted functionalization of nanoparticle thin films via capillary condensation.

    Science.gov (United States)

    Gemici, Zekeriyya; Schwachulla, Patrick I; Williamson, Erik H; Rubner, Michael F; Cohen, Robert E

    2009-03-01

    Capillary condensation, an often undesired natural phenomenon in nanoporous materials, was used advantageously as a universal functionalization strategy in nanoparticle thin films assembled layer-by-layer. Judicious choice of nanoparticle (and therefore pore) size allowed targeted capillary condensation of chemical vapors of both hydrophilic and hydrophobic molecules across film thickness. Heterostructured thin films with modulated refractive index profiles produced in this manner exhibited broadband antireflection properties with an average reflectance over the visible region of the spectrum of only 0.4%. Capillary condensation was also used to modify surface chemistry and surface energy. Photosensitive capillary-condensates were UV-cross-linked in situ. Undesired adventitious condensation of humidity could be avoided by condensation of hydrophobic materials such as poly(dimethyl siloxane).

  4. 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.

  5. Theory of decoherence in Bose-Einstein condensate interferometry

    Energy Technology Data Exchange (ETDEWEB)

    Dalton, B J [ARC Centre for Quantum-Atom Optics and Centre for Atom Optics and Ultrafast Spectroscopy, Swinburne University of Technology, Melbourne, Victoria 3122 (Australia)

    2007-05-15

    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.

  6. Bose-Einstein condensates in atomic gases: simple theoretical results

    International Nuclear Information System (INIS)

    Castin, Y.

    2001-01-01

    The author presents the theory of the Bose-Einstein condensation along with a discussion of experimental tests. The author deals successively with the following topics: - the ideal Bose gas in a trap (first in a harmonic trap and then in a more general trap), - a model for the atomic interaction, - interacting Bose gas in the Hartree-Fock approximation, - properties of the condensate wavefunction, - the Gross-Pitaevskii equation, - Bogoliubov approach and thermodynamical stability, - phase coherence properties at the Bose-Einstein condensate, and - symmetry-breaking description of condensates. (A.C.)

  7. Liquid phase formation due to solid/solid chemical interaction and its modelling: applications to zircaloy/stainless steel system

    International Nuclear Information System (INIS)

    Garcia, E.A.; Piotrkowski, R.; Denis, A.; Kovacs, J.

    1992-01-01

    The chemical interaction at high temperatures between Zircaloy (Zry) and stainless steel (SS) and the liquid phase formation due to eutectic reactions were studied. In a previous work the Zry/Inconel system was modelled assuming that the kinetics of phase growth is controlled by diffusion. The same model and the obtained Zr diffusion coefficient in the liquid phase were applied in the present work. In order to obtain an adequate description of the Zry/SS the major component of both alloys and also Cr and Ni had to be considered. (author)

  8. Analytical model of chemical phase and formation of DSB in chromosomes by ionizing radiation.

    Science.gov (United States)

    Barilla, Jiří; Lokajíček, Miloš; Pisaková, Hana; Simr, Pavel

    2013-03-01

    Mathematical analytical model of the processes running in individual radical clusters during the chemical phase (under the presence of radiomodifiers) proposed by us earlier has been further developed and improved. It has been applied to the data presented by Blok and Loman characterizing the oxygen effect in SSB and DSB formation (in water solution and at low-LET radiation) also in the region of very small oxygen concentrations, which cannot be studied with the help of experiments done with living cells. In this new analysis the values of all reaction rates and diffusion parameters known from literature have been made use of. The great increase of SSB and DSB at zero oxygen concentration may follow from the fact that at small oxygen concentrations the oxygen absorbs other radicals while at higher concentrations the formation of oxygen radicals prevails. It explains the double oxygen effect found already earlier by Ewing. The model may be easily extended to include also the effects of other radiomodifiers present in medium during irradiation.

  9. Analytical model of chemical phase and formation of DSB in chromosomes by ionizing radiation

    International Nuclear Information System (INIS)

    Barilla, Jiři; Simr, Pavel; Lokajíček, Miloš; Pisaková, Hana

    2013-01-01

    Mathematical analytical model of the processes running in individual radical clusters during the chemical phase (under the presence of radiomodifiers) proposed by us earlier has been further developed and improved. It has been applied to the data presented by Blok and Loman characterizing the oxygen effect in SSB and DSB formation (in water solution and at low-LET radiation) also in the region of very small oxygen concentrations, which cannot be studied with the help of experiments done with living cells. In this new analysis the values of all reaction rates and diffusion parameters known from literature have been made use of. The great increase of SSB and DSB at zero oxygen concentration may follow from the fact that at small oxygen concentrations the oxygen absorbs other radicals while at higher concentrations the formation of oxygen radicals prevails. It explains the double oxygen effect found already earlier by Ewing. The model may be easily extended to include also the effects of other radiomodifiers present in medium during irradiation.

  10. Chemical Transformations in Proto-Cytoplasmic Media. Phosphorus Coupling in the Silica Hydrogel Phase

    Directory of Open Access Journals (Sweden)

    Ian B. Gorrell

    2017-11-01

    Full Text Available It has been proposed that prebiotic chemical studies on the emergence of primitive life would be most relevant when performed in a hydrogel, rather than an aqueous, environment. In this paper we describe the ambient temperature coupling of phosphorus oxyacids [Pi] mediated by Fe(II under aerobic conditions within a silica hydrogel (SHG environment. We have chosen to examine SHGs as they have considerable geological precedence as key phases in silicification en route to rock formation. Following a description of the preparation and characterization studies on our SHG formulations, coupling experiments between Pi species are described across multiple permutations of (i Pi compound; (ii gel formulation; (iii metal salt additive; and (iv pH-modifying agent. The results suggest that successful Pi coupling, indicated by observation of pyrophosphate [PPi(V] via 31P-NMR spectroscopy, takes place when the following components are present: (i a mixture of mixture of Pi(III and Pi(V or pure PPi(III-V; (ii Fe(II; (iii acetic or formic acid (not hydrochloric acid; (iv aerobic conditions or the presence of H2O2 as an oxidant; and (v the presence of a gel system. On the basis of these, and aqueous control reactions, we suggest mechanistic possibilities.

  11. SITE PROGRAM DEMONSTRATION ECO LOGIC INTERNATIONAL GAS-PHASE CHEMICAL REDUCTION PROCESS, BAY CITY, MICHIGAN TECHNOLOGY EVALUATION REPORT

    Science.gov (United States)

    The SITE Program funded a field demonstration to evaluate the Eco Logic Gas-Phase Chemical Reduction Process developed by ELI Eco Logic International Inc. (ELI), Ontario, Canada. The Demonstration took place at the Middleground Landfill in Bay City, Michigan using landfill wa...

  12. Probing the Gas-Phase Dynamics of Graphene Chemical Vapour Deposition using in-situ UV Absorption Spectroscopy

    DEFF Research Database (Denmark)

    Shivayogimath, Abhay; Mackenzie, David; Luo, Birong

    2017-01-01

    The processes governing multilayer nucleation in the chemical vapour deposition (CVD) of graphene are important for obtaining high-quality monolayer sheets, but remain poorly understood. Here we show that higher-order carbon species in the gas-phase play a major role in multilayer nucleation...

  13. Mineral and chemical composition of rock core and surface gas composition in Horonobe Underground Research Laboratory project. Phase 1

    International Nuclear Information System (INIS)

    Hiraga, Naoto; Ishii, Eiichi

    2008-02-01

    The following three kinds of analyses were conducted for the 1st phase of the Horonobe Underground Research Laboratory Project. Mineral composition analysis of core sample. Whole rock chemical composition analysis of core sample. Surface gas composition analysis. This document summarizes the results of these analyses. (author)

  14. The complete information for phenomenal distributed parameter control of multicomponent chemical processes in gas, fluid and solid phase

    International Nuclear Information System (INIS)

    Niemiec, W.

    1985-01-01

    A constitutive mathematical model of distributed parameters of multicomponent chemical processes in gas, fluid and solid phase is utilized to the realization of phenomenal distributed parameter control of these processes. Original systems of partial differential constitutive state equations, in the following derivative forms /I/, /II/ and /III/ are solved in this paper from the point of view of information for phenomenal distributed parameter control of considered processes. Obtained in this way for multicomponent chemical processes in gas, fluid and solid phase: -dynamical working space-time characteristics/analytical solutions in working space-time of chemical reactors/, -dynamical phenomenal Green functions as working space-time transfer functions, -statical working space characteristics /analytical solutions in working space of chemical reactors/, -statical phenomenal Green functions as working space transfer functions, are applied, as information for realization of constitutive distributed parameter control of mass, energy and momentum aspects of above processes. Two cases are considered by existence of: A/sup o/ - initial conditions, B/sup o/ - initial and boundary conditions, for multicomponent chemical processes in gas, fluid and solid phase

  15. CHEMICALS

    CERN Multimedia

    Medical Service

    2002-01-01

    It is reminded that all persons who use chemicals must inform CERN's Chemistry Service (TIS-GS-GC) and the CERN Medical Service (TIS-ME). Information concerning their toxicity or other hazards as well as the necessary individual and collective protection measures will be provided by these two services. Users must be in possession of a material safety data sheet (MSDS) for each chemical used. These can be obtained by one of several means : the manufacturer of the chemical (legally obliged to supply an MSDS for each chemical delivered) ; CERN's Chemistry Service of the General Safety Group of TIS ; for chemicals and gases available in the CERN Stores the MSDS has been made available via EDH either in pdf format or else via a link to the supplier's web site. Training courses in chemical safety are available for registration via HR-TD. CERN Medical Service : TIS-ME :73186 or service.medical@cern.ch Chemistry Service : TIS-GS-GC : 78546

  16. Comparisons between a gas-phase model of silane chemical vapor deposition and laser-diagnostic measurements

    International Nuclear Information System (INIS)

    Breiland, W.G.; Coltrin, M.E.; Ho, P.

    1986-01-01

    Theoretical modeling and experimental measurements have been used to study gas-phase chemistry in the chemical vapor deposition (CVD) of silicon from silane. Pulsed laser Raman spectroscopy was used to obtain temperature profiles and to obtain absolute density profiles of silane during deposition at atmospheric and 6-Torr total pressures for temperatures ranging from 500 to 800 0 C. Laser-excited fluorescence was used to obtain relative density profiles of Si 2 during deposition at 740 0 C in helium with 0-12 Torr added hydrogen. These measurements are compared to predictions from the theoretical model of Coltrin, Kee, and Miller. The predictions agree qualitatively with experiment. These studies indicate that fluid mechanics and gas-phase chemical kinetics are important considerations in understanding the chemical vapor deposition process

  17. Chemically exfoliated Mo S2 layers: Spectroscopic evidence for the semiconducting nature of the dominant trigonal metastable phase

    Science.gov (United States)

    Pal, Banabir; Singh, Anjali; Sharada, G.; Mahale, Pratibha; Kumar, Abhinav; Thirupathaiah, S.; Sezen, H.; Amati, M.; Gregoratti, Luca; Waghmare, Umesh V.; Sarma, D. D.

    2017-11-01

    A metastable trigonal phase, existing only as small patches on a chemically exfoliated few-layered, thermodynamically stable 1 H phase of Mo S2 , is believed to critically influence the properties of Mo S2 -based devices. The electronic structure of this metastable phase is little understood in the absence of a direct experimental investigation of its electronic properties, complicated further by conflicting claims from theoretical investigations. We address this issue by investigating the electronic structure of this minority phase in chemically exfoliated Mo S2 few-layered systems by enhancing its contributions with the use of highly spatially resolved (≤120 nm resolution) photoemission spectroscopy and Raman spectroscopy in conjunction with state-of-the-art electronic structure calculations. Based on these results, we establish that the ground state of this phase, arrived at by the chemical exfoliation of Mo S2 using the usual Li intercalation technique, is a small gap (˜90 ±40 meV ) semiconductor in contrast to most claims in the literature; we also identify the specific trigonal structure it has among many suggested ones.

  18. Using helical compressors for coke gas condensation

    Energy Technology Data Exchange (ETDEWEB)

    Privalov, V E; Rezunenko, Yu I; Lelyanov, N V; Zarnitzkii, G Eh; Gordienko, A A; Derebenko, I F; Venzhega, A G; Leonov, N P; Gorokhov, N N

    1982-08-01

    Coke oven gas compression is discussed. Presently used multilevel piston compressors are criticized. The paper recommends using helical machines which combine advantages of using volume condensing compressors and compact high-efficiency centrifugal machines. Two kinds of helical compressors are evaluated: dry and oil-filled; their productivities and coke oven gas chemical composition are analyzed. Experiments using helical compressors were undertaken at the Yasinovskii plant. Flowsheet of the installation is shown. Performance results are given in a table. For all operating conditions content of insolubles in oil compounds is found to be lower than the acceptable value (0.08%). Compressor productivity measurements with variable manifold pressure are evaluated. Figures obtained show that efficient condensation of raw coke oven gas is possible. Increasing oil-filled compressor productivity is recommended by decreasing amount of oil injected and simultaneously increasing rotation speed. The dry helical compressor with water seal is found to be most promising for raw coke oven gas condensation. (10 refs.)

  19. Dropwise condensation on inclined textured surfaces

    CERN Document Server

    Khandekar, Sameer

    2014-01-01

    Dropwise Condensation on Textured Surfaces presents a holistic framework for understanding dropwise condensation through mathematical modeling and meaningful experiments. The book presents a review of the subject required to build up models as well as to design experiments. Emphasis is placed on the effect of physical and chemical texturing and their effect on the bulk transport phenomena. Application of the model to metal vapor condensation is of special interest. The unique behavior of liquid metals, with their low Prandtl number and high surface tension, is also discussed. The model predicts instantaneous drop size distribution for a given level of substrate subcooling and derives local as well as spatio-temporally averaged heat transfer rates and wall shear stress.

  20. 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.

  1. CONDENSATION OF WATER VAPOR IN A VERTICAL TUBE CONDENSER

    Directory of Open Access Journals (Sweden)

    Jan Havlík

    2015-10-01

    Full Text Available This paper presents an analysis of heat transfer in the process of condensation of water vapor in a vertical shell-and-tube condenser. We analyze the use of the Nusselt model for calculating the condensation heat transfer coefficient (HTC inside a vertical tube and the Kern, Bell-Delaware and Stream-flow analysis methods for calculating the shell-side HTC from tubes to cooling water. These methods are experimentally verified for a specific condenser of waste process vapor containing air. The operating conditions of the condenser may be different from the assumptions adopted in the basic Nusselt theory. Modifications to the Nusselt condensation model are theoretically analyzed.

  2. Containment condensing heat transfer

    International Nuclear Information System (INIS)

    Gido, R.G.; Koestel, A.

    1983-01-01

    This report presents a mechanistic heat-transfer model that is valid for large scale containment heat sinks. The model development is based on the determination that the condensation is controlled by mass diffusion through the vapor-air boundary layer, and the application of the classic Reynolds' analogy to formulate expressions for the transfer of heat and mass based on hydrodynamic measurements of the momentum transfer. As a result, the analysis depends on the quantification of the shear stress (momentum transfer) at the interface between the condensate film and the vapor-air boundary layer. In addition, the currently used Tagami and Uchida test observations and their range of applicability are explained

  3. 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

  4. Physical-chemical properties of the surface of B2O3-P2O5-MeOx/SiO2 catalysts and its effect on the parameters of the process of aldol condensation of propionic acid with formaldehyde

    International Nuclear Information System (INIS)

    Yivasyiv, V.V.; Pyikh, Z.G.; Zhiznevs'kij, V.M.; Nebesnij, R.V.

    2011-01-01

    Effect of catalyst B 2 O 3 -P 2 O 5 -MeO x /SiO 2 composition on its physical-chemical properties has been investigated. Relations between physical-chemical and catalytic properties of catalysts in the gas-phase reaction of propionic acid with formaldehyde to methacrylic acid have been found. Effect of the specific surface area and the specific surface acidity on the propionic acid conversion has been determined. Effect of the acidic active site's strength on the selectivity of reaction products has been determined. It has been pointed that methacrylic acid is formed on the moderate strength acidic active sites, whereas the by-product (diethyl ketone) - on the strong acidic active sites of the catalyst.

  5. Stochastic evolution of refractory interstellar dust during the chemical evolution of a two-phase interstellar medium

    International Nuclear Information System (INIS)

    Liffman, K.; Clayton, D.D.

    1989-01-01

    The evolution course of refractory interstellar dust during the chemical evolution of a two-phase interstellar medium (ISM) is studied using a simple model of the chemical evolution of ISM. It is assumed that, in this medium, the stars are born in molecular clouds, but new nucleosynthesis products and stellar return are entered into a complementary diffuse medium; the well-mixed matter of each interstellar phase is repeatedly cycled stochastically through the complementary phase and back. The dust is studied on a particle-by-particle bases as it is sputtered by shock waves in the diffuse medium, accretes an amorphous mantle of gaseous refractory atoms while its local medium joins the molecular cloud medium, and encounters the possibility of astration within molecular clouds. Results are presented relevant to the size spectrum of accreted mantles, its age spectrum and the distinction among its several lifetimes, depletion factors of refractory atoms in the diffuse gas, and isotopic anomalies. 26 refs

  6. Phase equilibria for mixtures containing very many components. development and application of continuous thermodynamics for chemical process design

    International Nuclear Information System (INIS)

    Cotterman, R.L.; Bender, R.; Prausnitz, J.M.

    1984-01-01

    For some multicomponent mixtures, where detailed chemical analysis is not feasible, the compositio of the mixture may be described by a continuous distribution function of some convenient macroscopic property suc as normal boiling point or molecular weight. To attain a quantitative description of phase equilibria for such mixtures, this work has developed thermodynamic procedures for continuous systems; that procedure is called continuous thermodynamics. To illustrate, continuous thermodynamics is used to calculate dew points for natural-gas mixtures, solvent loss in a high-pressure absorber, and liquid-liquid phase equilibria in a polymer fractionation process. Continuous thermodynamics provides a rational method for calculating phase equilibria for those mixtures where complete chemical analysis is not available but where composition can be given by some statistical description. While continuous thermodynamics is only the logical limit of the well-known pseudo-component method, it is more efficient than that method because it is less arbitrary and it often requires less computer time

  7. String Theory Methods for Condensed Matter Physics

    Science.gov (United States)

    Nastase, Horatiu

    2017-09-01

    Preface; Acknowledgments; Introduction; Part I. Condensed Matter Models and Problems: 1. Lightning review of statistical mechanics, thermodynamics, phases and phase transitions; 2. Magnetism in solids; 3. Electrons in solids: Fermi gas vs. Fermi liquid; 4. Bosonic quasi-particles: phonons and plasmons; 5. Spin-charge separation in 1+1 dimensional solids: spinons and holons; 6. The Ising model and the Heisenberg spin chain; 7. Spin chains and integrable systems; 8. The thermodynamic Bethe ansatz; 9. Conformal field theories and quantum phase transitions; 10. Classical vs. quantum Hall effect; 11. Superconductivity: Landau-Ginzburg, London and BCS; 12. Topology and statistics: Berry and Chern-Simons, anyons and nonabelions; 13. Insulators; 14. The Kondo effect and the Kondo problem; 15. Hydrodynamics and transport properties: from Boltzmann to Navier-Stokes; Part II. Elements of General Relativity and String Theory: 16. The Einstein equation and the Schwarzschild solution; 17. The Reissner-Nordstrom and Kerr-Newman solutions and thermodynamic properties of black holes; 18. Extra dimensions and Kaluza-Klein; 19. Electromagnetism and gravity in various dimensions. Consistent truncations; 20. Gravity plus matter: black holes and p-branes in various dimensions; 21. Weak/strong coupling dualities in 1+1, 2+1, 3+1 and d+1 dimensions; 22. The relativistic point particle and the relativistic string; 23. Lightcone strings and quantization; 24. D-branes and gauge fields; 25. Electromagnetic fields on D-branes. Supersymmetry and N = 4 SYM. T-duality of closed strings; 26. Dualities and M theory; 27. The AdS/CFT correspondence: definition and motivation; Part III. Applying String Theory to Condensed Matter Problems: 28. The pp wave correspondence: string Hamiltonian from N = 4 SYM; 29. Spin chains from N = 4 SYM; 30. The Bethe ansatz: Bethe strings from classical strings in AdS; 31. Integrability and AdS/CFT; 32. AdS/CFT phenomenology: Lifshitz, Galilean and Schrodinger

  8. 40 CFR 721.3620 - Fatty acid amine condensate, polycarboxylic acid salts.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Fatty acid amine condensate... Specific Chemical Substances § 721.3620 Fatty acid amine condensate, polycarboxylic acid salts. (a... a fatty acid amine condensate, polycarboxylic acid salts. (PMN P-92-445) is subject to reporting...

  9. 40 CFR 721.6200 - Fatty acid polyamine condensate, phosphoric acid ester salts.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Fatty acid polyamine condensate... New Uses for Specific Chemical Substances § 721.6200 Fatty acid polyamine condensate, phosphoric acid... substances identified as fatty acid polyamine condensate, phosphate ester salts (PMNs P-90-1984 and P-90-1985...

  10. Steam condensation modelling in aerosol codes

    International Nuclear Information System (INIS)

    Dunbar, I.H.

    1986-01-01

    The principal subject of this study is the modelling of the condensation of steam into and evaporation of water from aerosol particles. These processes introduce a new type of term into the equation for the development of the aerosol particle size distribution. This new term faces the code developer with three major problems: the physical modelling of the condensation/evaporation process, the discretisation of the new term and the separate accounting for the masses of the water and of the other components. This study has considered four codes which model the condensation of steam into and its evaporation from aerosol particles: AEROSYM-M (UK), AEROSOLS/B1 (France), NAUA (Federal Republic of Germany) and CONTAIN (USA). The modelling in the codes has been addressed under three headings. These are the physical modelling of condensation, the mathematics of the discretisation of the equations, and the methods for modelling the separate behaviour of different chemical components of the aerosol. The codes are least advanced in area of solute effect modelling. At present only AEROSOLS/B1 includes the effect. The effect is greater for more concentrated solutions. Codes without the effect will be more in error (underestimating the total airborne mass) the less condensation they predict. Data are needed on the water vapour pressure above concentrated solutions of the substances of interest (especially CsOH and CsI) if the extent to which aerosols retain water under superheated conditions is to be modelled. 15 refs

  11. Implementation and validation of a condensation model in ANSYS

    International Nuclear Information System (INIS)

    Lehmkuhl, J.; Kelm, S.; Allelein, H.J.; Forschungszentrum Juelich

    2012-01-01

    During design-based beyond-design accidents large amounts of steam and hydrogen are released onto the containment. The knowledge on the local distribution of gases and atmospheric conditions is therefore necessary for the design of safety systems or emergency measures. Condensation processes have a significant influence on the thermal hydraulics, the hydrogen combustion and the aerosol behavior in the containment. The presented one-phase condensation model was developed for an effective CFD modeling of condensation processes in ANSYS CFX for accident analyses. Based on the assumption that wall condensation is mainly determined by the mass transport the assumption of thermal equilibrium can be used for one-phase calculations. The modeling concept is applicable for wall and volume condensation and has been implemented.

  12. Room temperature chemically oxidized La2CuO4+y: Phase separation induced by thermal treatment

    DEFF Research Database (Denmark)

    Rial,C.; Moran, E.; Alario-Franco, M.A.

    1997-01-01

    The structure of roam temperature chemically oxidized La2CuO4+y [y = 0.103(4)] has been refined from powder neutron diffraction data using the space group Bmab. The modifications induced in the CuO2 and the LaO planes by the insertion of oxygen are consistent with the high T-c measured for this m......The structure of roam temperature chemically oxidized La2CuO4+y [y = 0.103(4)] has been refined from powder neutron diffraction data using the space group Bmab. The modifications induced in the CuO2 and the LaO planes by the insertion of oxygen are consistent with the high T-c measured...... a short treatment at 433 K, La2CuO4.103(4) undergoes a phase separation into two phases: phase 1, with estimated y(1) = 0.086(4) and T-cl = 30 K, and phase 2, with estimated y(2) = 0.12(1) and T-c2 = 17 K. By increasing the annealing times, phase 2 transforms to phase I and finally disappears. Therefore...

  13. Chemical composition and mixing-state of ice residuals sampled within mixed phase clouds

    Directory of Open Access Journals (Sweden)

    M. Ebert

    2011-03-01

    Full Text Available During an intensive campaign at the high alpine research station Jungfraujoch, Switzerland, in February/March 2006 ice particle residuals within mixed-phase clouds were sampled using the Ice-counterflow virtual impactor (Ice-CVI. Size, morphology, chemical composition, mineralogy and mixing state of the ice residual and the interstitial (i.e., non-activated aerosol particles were analyzed by scanning and transmission electron microscopy. Ice nuclei (IN were identified from the significant enrichment of particle groups in the ice residual (IR samples relative to the interstitial aerosol. In terms of number lead-bearing particles are enriched by a factor of approximately 25, complex internal mixtures with silicates or metal oxides as major components by a factor of 11, and mixtures of secondary aerosol and carbonaceous material (C-O-S particles by a factor of 2. Other particle groups (sulfates, sea salt, Ca-rich particles, external silicates observed in the ice-residual samples cannot be assigned unambiguously as IN. Between 9 and 24% of all IR are Pb-bearing particles. Pb was found as major component in around 10% of these particles (PbO, PbCl2. In the other particles, Pb was found as some 100 nm sized agglomerates consisting of 3–8 nm sized primary particles (PbS, elemental Pb. C-O-S particles are present in the IR at an abundance of 17–27%. The soot component within these particles is strongly aged. Complex internal mixtures occur in the IR at an abundance of 9–15%. Most IN identified at the Jungfraujoch station are internal mixtures containing anthropogenic components (either as main or minor constituent, and it is concluded that admixture of the anthropogenic component is responsible for the increased IN efficiency within mixed phase clouds. The mixing state appears to be a key parameter for the ice nucleation behaviour that cannot be predicted from the sole knowledge of the main component of an individual particle.

  14. 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)

  15. 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.

  16. Chiral chromatography studies of chemical behavior of cinacalcet on polysaccharide chiral reversed-phase HPLC stationary phases.

    Science.gov (United States)

    Dousa, Michal; Brichác, Jirí

    2012-01-01

    A rapid HPLC method for the analytical resolution of cinacalcet enantiomers was developed. Four chiral columns (two amylose and two cellulose type) were evaluated in RP systems. Excellent enantioseparation with a resolution of more than 6 was achieved on Chiralpak AY (amylose 5-chloro-2-methylphenylcarbamate chiral stationary phase) using 10 mM triethylamine (pH 8.0)-acetonitrile (40 + 60, v/v) mobile phase. Validation of the HPLC method, including linearity, LOD, LOQ, precision, accuracy, and selectivity, was performed according to the International Conference on Harmonization guidelines. The method was successfully applied for the determination of (S)-cinacalcet in enantiopure active pharmaceutical ingredient (R)-cinacalcet.

  17. Vapor condensation device

    International Nuclear Information System (INIS)

    Sakurai, Manabu; Hirayama, Fumio; Kurosawa, Setsumi; Yoshikawa, Jun; Hosaka, Seiichi.

    1992-01-01

    The present invention enables to separate and remove 14 C as CO 3 - ions without condensation in a vapor condensation can of a nuclear facility. That is, the vapor condensation device of the nuclear facility comprises (1) a spray pipe for spraying an acidic aqueous solution to the evaporation surface of an evaporation section, (2) a spray pump for sending the acidic aqueous solution to the spray pipe, (3) a tank for storing the acidic aqueous solution, (4) a pH sensor for detecting pH of the evaporation section, (5) a pH control section for controlling the spray pump, depending on the result of the detection of the pH sensor. With such a constitution, the pH of liquid wastes on the vaporization surface is controlled to 7 by spraying an aqueous solution of dilute sulfuric acid to the evaporation surface, thereby enabling to increase the transfer rate of 14 C to condensates to 60 to 70%. If 14 C is separated and removed as a CO 2 gas from the evaporation surface, the pH of the liquid wastes returns to the alkaline range of 9 to 10 and the liquid wastes are returned to a heating section. The amount of spraying the aqueous solution of dilute sulfuric acid can be controlled till the pH is reduced to 5. (I.S.)

  18. Bose-Einstein Condensation

    Indian Academy of Sciences (India)

    absolute zero. These ideas had ... Everybody is talking about Bose-Einstein condensation. This discovery ... needed if we want to find the probability distribution of the x- ... Boltzmann took two approaches to the problem, both of them deep and ...

  19. 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.)

  20. Preventing freezing of condensate inside tubes of air cooled condenser

    International Nuclear Information System (INIS)

    Joo, Jeong A; Hwang, In Hwan; Lee, Dong Hwan; Cho, Young Il

    2012-01-01

    An air cooled condenser is a device that is used for converting steam into condensate by using ambient air. The air cooled condenser is prone to suffer from a serious explosion when the condensate inside the tubes of a heat exchanger is frozen; in particular, tubes can break during winter. This is primarily due to the structural problem of the tube outlet of an existing conventional air cooled condenser system, which causes the backflow of residual steam and noncondensable gases. To solve the backflow problem in such condensers, such a system was simulated and a new system was designed and evaluated in this study. The experimental results using the simulated condenser showed the occurrence of freezing because of the backflow inside the tube. On the other hand, no backflow and freezing occurred in the advanced new condenser, and efficient heat exchange occurred