WorldWideScience

Sample records for chemical equilibria

  1. Variational principles in chemical equilibria: Complex chemical systems with interacting subsystems

    CERN Document Server

    Zilbergleyt, B

    2010-01-01

    The goal of the paper is to derive a revised condition of global equilibrium in complex chemical systems as variational principle in formalism of recently developed discrete thermodynamics (DTD) of chemical equilibria. In classical approach the problem of complex equilibrium is solved by minimization of the system Gibbs’ free energy subject to logistic constraints. DTD demands any isolated system to comprise smaller subentities, which individual equilibria are based on the balance of internal and external thermodynamic forces, acting against them. The internal forces are equal to the subsystems thermodynamic affinities, while external forces originate from subsystems mutual interactions. Those interactions impose additional constraints on the mother system Gibbs’ free energy minimum. Basic expression of discrete thermodynamics, being multiplied by subsystems deviations from their “true” thermodynamic equilibria, is naturally identical to d’Alembert’s principle. A thermodynamic ve...

  2. A Computer Algebra Approach to Solving Chemical Equilibria in General Chemistry

    Science.gov (United States)

    Kalainoff, Melinda; Lachance, Russ; Riegner, Dawn; Biaglow, Andrew

    2012-01-01

    In this article, we report on a semester-long study of the incorporation into our general chemistry course, of advanced algebraic and computer algebra techniques for solving chemical equilibrium problems. The method presented here is an alternative to the commonly used concentration table method for describing chemical equilibria in general…

  3. Modeling and Experimental Studies on Phase and Chemical Equilibria in High-Pressure Methanol Synthesis

    NARCIS (Netherlands)

    van Bennekom, Joost G.; Winkelman, Jozef G. M.; Venderbosch, Robertus H.; Nieland, Sebastiaan D. G. B.; Heeres, Hero J.

    2012-01-01

    A solution method was developed to calculate the simultaneous phase and chemical equilibria in high-pressure methanol synthesis (P = 20 MPa, 463

  4. Structures and Chemical Equilibria of Some N-Heterocycles Containing Amide Linkages

    Directory of Open Access Journals (Sweden)

    N. H. Abd El Moneim

    2003-05-01

    Full Text Available Structures and chemical equilibria of 5-carboxy-2-thiouracil (1, 5,6-diphenyl-3-hydroxy-1,2,4-triazine (2, 1-phenyl-3-methyl-5-pyrazolone (3 and 2-mercapto-4,6-dimethylpyrimidine hydrochloride (4 are reported. Their electronic transitions are assigned and pK values are evaluated and discussed.

  5. Chemical exchange equilibria in isotope separation. Part I : Evaluation of separation factors

    International Nuclear Information System (INIS)

    The theory of chemical exchange equilibria as applied to the isotope separation processes and the isotope effects on equilibrium constants of different exchange reactions has come a long way since its inception by Urey and Rittenberg. An attempt has been made to bring relevant information together and present a unified approach to isotopic chemical exchange equilibrium constant evaluation and its implications to separation processes. (auth.)

  6. Application of phase equilibria and chemical thermodynamics to the preparation, farbiration, and performance of advanced fast reactor fuel materials

    International Nuclear Information System (INIS)

    Described are some phase equilibria and chemical thermodynamics of systems relevant to the production and operation of the so-called ''advanced'' fast breeder reactor fuels. The systems discussed include UPu carbides, nitrides, oxycarbides and carbonitrides. Some examples of the application of these phase equilibria to the preparation, fabrication and behaviour of the materials in temperature gradients appropriate to reactor conditions are presented. Finally, aspects of the complex four and five component, U-C-O-N and U-Pu-C-O-N systems are discussed, a detailed knowledge of which is required for an analysis of advanced fuel behaviour

  7. The effect of chemical and organic amendments on sodium exchange equilibria in a calcareous sodic soil.

    Science.gov (United States)

    Ranjbar, Faranak; Jalali, Mohsen

    2015-11-01

    In this study, the reclamation of a calcareous sodic soil with the exchangeable sodium percentage (ESP) value of 26.6% was investigated using the cheap and readily available chemical and organic materials including natural bentonite and zeolite saturated with calcium (Ca2+), waste calcite, three metal oxide nanoparticles functionalized with an acidic extract of potato residues, and potato residues. Chemical amendments were added to the soil at a rate of 2%, while potato residues were applied at the rates of 2 and 4% by weight. The ESP in the amended soils was reduced in the range of 0.9-4.9% compared to the control soil, and the smallest and the largest decline was respectively observed in treatments containing waste calcite and 4% of potato residues. Despite the reduction in ESP, the values of this parameter were not below 15% at the end of a 40-day incubation period. So, the effect of solutions of varying sodium adsorption ratio (SAR) values of 0, 5, 10, 20, 30, 40, and 50 on sodium (Na+) exchange equilibria was evaluated in batch systems. The empirical models (simple linear, Temkin, and Dubinin-Radushkevich) fitted well to experimental data. The relations of quantity to intensity (Q/I) revealed that the potential buffering capacity for Na+ (PBCNa) varied from 0.275 to 0.337 ((cmolc kg(-1)) (mmol L(-1))(-1/2)) in the control soil and amended soils. The relationship between exchangeable sodium ratio (ESR) and SAR was individually determined for the control soil and amended soils. The values of Gapon selectivity coefficient (KG) of Na+ differed from the value suggested by U.S. Salinity Laboratory (USSL). The PHREEQC, a geochemical computer program, was applied to simulate Na+ exchange isotherms by using the mechanistic cation exchange model (CEM) along with Gaines-Thomas selectivity coefficients. The simulation results indicated that Na+ exchange isotherms and Q/I and ESR-SAR relations were influenced by the type of counter anions. The values of K G increased in

  8. The effect of chemical and organic amendments on sodium exchange equilibria in a calcareous sodic soil.

    Science.gov (United States)

    Ranjbar, Faranak; Jalali, Mohsen

    2015-11-01

    In this study, the reclamation of a calcareous sodic soil with the exchangeable sodium percentage (ESP) value of 26.6% was investigated using the cheap and readily available chemical and organic materials including natural bentonite and zeolite saturated with calcium (Ca2+), waste calcite, three metal oxide nanoparticles functionalized with an acidic extract of potato residues, and potato residues. Chemical amendments were added to the soil at a rate of 2%, while potato residues were applied at the rates of 2 and 4% by weight. The ESP in the amended soils was reduced in the range of 0.9-4.9% compared to the control soil, and the smallest and the largest decline was respectively observed in treatments containing waste calcite and 4% of potato residues. Despite the reduction in ESP, the values of this parameter were not below 15% at the end of a 40-day incubation period. So, the effect of solutions of varying sodium adsorption ratio (SAR) values of 0, 5, 10, 20, 30, 40, and 50 on sodium (Na+) exchange equilibria was evaluated in batch systems. The empirical models (simple linear, Temkin, and Dubinin-Radushkevich) fitted well to experimental data. The relations of quantity to intensity (Q/I) revealed that the potential buffering capacity for Na+ (PBCNa) varied from 0.275 to 0.337 ((cmolc kg(-1)) (mmol L(-1))(-1/2)) in the control soil and amended soils. The relationship between exchangeable sodium ratio (ESR) and SAR was individually determined for the control soil and amended soils. The values of Gapon selectivity coefficient (KG) of Na+ differed from the value suggested by U.S. Salinity Laboratory (USSL). The PHREEQC, a geochemical computer program, was applied to simulate Na+ exchange isotherms by using the mechanistic cation exchange model (CEM) along with Gaines-Thomas selectivity coefficients. The simulation results indicated that Na+ exchange isotherms and Q/I and ESR-SAR relations were influenced by the type of counter anions. The values of K G increased in

  9. Determination of the Tautomeric Equilibria of Pyridoyl Benzoyl -Diketones in the Liquid and Solid State through the use of Deuterium Isotope Effects on 1H and 13C NMR Chemical Shifts and Spin Coupling Constants

    DEFF Research Database (Denmark)

    Hansen, Poul Erik; Borisov, Eugeny V.; Lindon, John C.

    2015-01-01

    The tautomeric equilibria for 2-pyridoyl-, 3-pyridoyl-, and 4-pyridoyl-benzoyl methane have been investigated using deuterium isotope effects on 1H and 13C chemical shifts both in the liquid and the solid state. Equilibria are established both in the liquid and the solid state. In addition, in th...

  10. Reverse Pulse Voltammetry at Spherical and Disc Microelectrodes: Characterization of Homogeneous Chemical Equilibria and Their Impact on the Species Diffusivities

    International Nuclear Information System (INIS)

    The value of the electrochemical technique Reverse Pulse Voltammetry (RPV) for the characterization of chemical equilibria in solution is theoretically investigated. For this, the RPV response of the square scheme is studied at spherical and disc electrodes of any size assuming that the chemical reactions are at equilibrium. When the effective diffusion coefficients of the oxidized and reduced species are the same, analytical solutions are reported for both electrode geometries. Otherwise, a rigorous analytical solution is derived for spherical electrodes whereas the case of microdiscs is addressed by numerical simulations. The theory for the square scheme enables the study of the RPV response in very different situations, including the cases where the electrochemical and/or chemical transformations alter significantly the species diffusivity such as in electron transfer processes in room temperature ionic liquids or in the association of the electroactive species with (bio) macromolecules and nanoparticles. It is found that, when medium-size (disc or spherical) microelectrodes are employed, the RPV method enables the simultaneous determination of the effective diffusion coefficients of the oxidized and reduced species as well as the apparent formal potential. These magnitudes make it possible a sound physicochemical characterization of the system

  11. The use of available chemical equilibria software for the prediction of the performance of EKR

    OpenAIRE

    Villén Guzmán, María; Gómez-Lahoz, C.; García Rubio, Ana; Paz García, José Manuel; Vereda Alonso, Carlos; García Herruzo, Francisco; Rodríguez Maroto, José Miguel

    2014-01-01

    Risk assessment aims for the prediction of the mobility of contaminants, and these are usually based in lab essays together with mathematical modelling. Also the feasibility studies of most techniques, require similar tools. Frequently the lab characterization is based in the chemical fractionation of the contaminants based on their mobility under different chemical reagents. Probably the most frequent fractionation technique for heavy metal contaminated soils is the BCR [1]. The use of ch...

  12. Thermodynamic modeling of chemical equilibria in liquid-liquid extraction of lutetium

    International Nuclear Information System (INIS)

    The extraction equilibrium data of lutetium from sodium succinate solution with Aliquat 336 in benzene is systematically investigated. The aqueous phase metal complexation and polymerization in the organic phase are taken into account in obtaining extraction coefficients, stability constants, hydrolysis constants, solubility product, and extraction constants. A thermodynamic model of the above equilibrium extraction data is developed for use in computer simulation of the extraction process. The correlations are based on chemical mass action principles in which the metal complexation in the aqueous phase, polymerization in the organic phase, precipitation in the aqueous phase, and aqueous phase activity coefficients are considered. Extraction behavior of other lanthanides from a succinate medium is also discussed

  13. Chemical equilibria model of strontium-90 adsorption and transport in soil in response to dynamic alkaline conditions.

    Science.gov (United States)

    Spalding, B P; Spalding, I R

    2001-01-15

    Strontium-90 is a major hazardous contaminant of radioactive wastewater and its processing sludges at many Department of Energy (DOE) facilities. In the past, such contaminated wastewater and sludge have been disposed in soil seepage pits, lagoons, or cribs often under highly perturbed alkaline conditions (pH > 12) where 90Sr solubility is low and its adsorption to surrounding soil is high. As natural weathering returns these soils to near-neutral or slightly acidic conditions, the adsorbed and precipitated calcium and magnesium phases, in which 90Sr is carried, change significantly in both nature and amounts. No comprehensive computational method has been formulated previously to quantitatively simulate the dynamics of 90Sr in the soil-groundwater environment under such dynamic and wide-ranging conditions. A computational code, the Hydrologic Utility Model for Demonstrating Integrated Nuclear Geochemical Environmental Responses (HUMDINGER), was composed to describe the changing equilibria of 90Sr in soil based on its causative chemical reactions including soil buffering, pH-dependent cation-exchange capacity, cation selectivity, and the precipitation/dissolution of calcium carbonate, calcium hydroxide, and magnesium hydroxide in response to leaching groundwater characteristics including pH, acid-neutralizing capacity, dissolved cations, and inorganic carbonate species. The code includes a simulation of one-dimensional transport of 90Sr through a soil column as a series of soil mixing cells where the equilibrium soluble output from one cell is applied to the next cell. Unamended soil leaching and highly alkaline soil treatments, including potassium hydroxide, sodium silicate, and sodium aluminate, were simulated and compared with experimental findings using large (10 kg) soil columns that were leached with 90Sr-contaminated groundwater after treatment. HUMDINGER's simulations were in good agreement with dynamic experimental observations of soil exchange capacity

  14. Thermal-chemical-mechanical feedback during fluid-rock interactions: Implications for chemical transport and scales of equilibria in the crust

    Energy Technology Data Exchange (ETDEWEB)

    Dutrow, Barbara

    2008-08-13

    Our research evaluates the hypothesis that feedback amongst thermal-chemical-mechanical processes operative in fluid-rock systems alters the fluid flow dynamics of the system which, in turn, affects chemical transport and temporal and spatial scales of equilibria, thus impacting the resultant mineral textural development of rocks. Our methods include computational experimentation and detailed analyses of fluid-infiltrated rocks from well-characterized terranes. This work focuses on metamorphic rocks and hydrothermal systems where minerals and their textures are utilized to evaluate pressure (P), temperature (T), and time (t) paths in the evolution of mountain belts and ore deposits, and to interpret tectonic events and the timing of these events. Our work on coupled processes also extends to other areas where subsurface flow and transport in porous media have consequences such as oil and gas movement, geothermal system development, transport of contaminants, nuclear waste disposal, and other systems rich in fluid-rock reactions. Fluid-rock systems are widespread in the geologic record. Correctly deciphering the products resulting from such systems is important to interpreting a number of geologic phenomena. These systems are characterized by complex interactions involving time-dependent, non-linear processes in heterogeneous materials. While many of these interactions have been studied in isolation, they are more appropriately analyzed in the context of a system with feedback. When one process impacts another process, time and space scales as well as the overall outcome of the interaction can be dramatically altered. Our goals to test this hypothesis are: to develop and incorporate algorithms into our 3D heat and mass transport code to allow the effects of feedback to be investigated numerically, to analyze fluid infiltrated rocks from a variety of terranes at differing P-T conditions, to identify subtle features of the infiltration of fluids and/or feedback, and

  15. Determination of CTX equilibria

    International Nuclear Information System (INIS)

    The method by which we determine the magnetic field equilibrium for CTX in a nonperturbing manner is presented. Measurements of flux conserver image currents are combined with calculations from a numerical model of the equilibrium. Results give equilibria which differ significantly from the minimum energy state, but the equilibria data are well-described by a model where j/B has a linear dependence on the poloidal flux function. The observation of non-disruptive rotating internal kink distortions (with toroidal mode numbers n = 1, 2 and 3) within the equilibria and theoretical MHD thresholds for the onset of these modes corroborate the inferred equilibria

  16. Learning efficient correlated equilibria

    KAUST Repository

    Borowski, Holly P.

    2014-12-15

    The majority of distributed learning literature focuses on convergence to Nash equilibria. Correlated equilibria, on the other hand, can often characterize more efficient collective behavior than even the best Nash equilibrium. However, there are no existing distributed learning algorithms that converge to specific correlated equilibria. In this paper, we provide one such algorithm which guarantees that the agents\\' collective joint strategy will constitute an efficient correlated equilibrium with high probability. The key to attaining efficient correlated behavior through distributed learning involves incorporating a common random signal into the learning environment.

  17. Modeling of Phase Equilibria Containing Associating Fluids

    DEFF Research Database (Denmark)

    Derawi, Samer; Kontogeorgis, Georgios

    in terms of an activity coefficient model or an equation of state. Our target in this thesis is to review and develop such models capable of describing qualitatively as well as quantitatively phase equilibria in multicomponent multiphase systems containing non-polar, polar, and associating compounds...... equation of state and the association term proposed by Wertheim, typically employed in models like the various variations of SAFT. CPA has been shown in the past to be a successful model for phase equilibria calculations for systems containing water, hydrocarbons and alcohols. In Chapter 4, CPA is applied......In recent years, there has been an increasing interest of the petrochemical industry in modeling of the partitioning of production chemicals e.g. gas hydrate inhibitors, corrosion inhibitors, solvents etc. between the crude oil and water. This requires basically a thermodynamic model either...

  18. Adsorption analysis equilibria and kinetics

    CERN Document Server

    Do, Duong D

    1998-01-01

    This book covers topics of equilibria and kinetics of adsorption in porous media. Fundamental equilibria and kinetics are dealt with for homogeneous as well as heterogeneous particles. Five chapters of the book deal with equilibria and eight chapters deal with kinetics. Single component as well as multicomponent systems are discussed. In kinetics analysis, we deal with the various mass transport processes and their interactions inside a porous particle. Conventional approaches as well as the new approach using Maxwell-Stefan equations are presented. Various methods to measure diffusivity, such

  19. The effect of chemical treatment on adsorption of natural gas by multi-walled carbon nanotubes: Sorption equilibria and thermodynamic studies

    Directory of Open Access Journals (Sweden)

    Delavar M.

    2012-01-01

    Full Text Available In this study, adsorption of methane as the main constituent of natural gas was firstly studied on the pristine multi-walled carbon nanotubes (MWCNTs and then purification and chemical treatments of MWCNTs was performed to enhance the natural gas adsorption capacity. MWCNTs were chemically treated using different methods in this research. The results revealed that chemical treatment of the MWCNTs in presence of H2SO4/HNO3 acidic mixture in 3:1 volume ratio, enhanced considerably natural gas adsorption capacity (an optimal up to 45 mmol/g at temperature of 298.15 K and the pressure of 50 bar compared to the pristine MWCNTs (about 27 mmol/g at the same operating conditions. This effect can be attributed to the opening of the nanotubes caps with a major alteration in its structural properties due to chemical treatment. The experimental data of adsorption were almost equally well described by Langmuir, Freundlich and Sips equations to determine the model isotherms. The best fit was obtained by the Sips model isotherm with the r-squared value near to unity. Furthermore, using the experimental data obtained in different temperatures the isosteric heat of natural gas adsorption onto pristine MWCNTs was also calculated in the interested range of pressures and temperatures using the thermodynamic-based Clausius-Clapeyron equation from the Sips isotherm model. The results revealed an energetically heterogeneous surface of MWCNTs in natural gas adsorption. Also the natural gas adsorption process was kinetically studied through pseudo-second order and intra-particle diffusion models which indicated the intra-particular diffusion is rate limiting step in adsorption of methane on MWCNTs.

  20. Phase equilibria for complex fluid mixtures

    Energy Technology Data Exchange (ETDEWEB)

    Prausnitz, J.M.

    1983-04-01

    After defining complex mixtures, attention is given to the canonical procedure used for the thermodynamics of fluid mixtures: first, we establish a suitable, idealized reference system and then we establish a perturbation (or excess function) which corrects the idealized system for real behavior. For complex mixtures containing identified components (e.g. alcohols, ketones, water) discussion is directed at possible techniques for extending to complex mixtures our conventional experience with reference systems and perturbations for simple mixtures. Possible extensions include generalization of the quasi-chemical approximation (local compositions) and superposition of chemical equilibria (association and solvation) on a physical equation of state. For complex mixtures containing unidentified components (e.g. coal-derived fluids), a possible experimental method is suggested for characterization; conventional procedures can then be used to calculate phase equilibria using the concept of pseudocomponents whose properties are given by the characterization data. Finally, as an alternative to the pseudocomponent method, a brief introduction is given to phase-equilibrium calculations using continuous thermodynamics.

  1. Phase equilibria in polyethylene systems

    OpenAIRE

    Hemmingsen, Pål Viggo

    2000-01-01

    The background for this work is a need to better understand the production of high density polythylene (HDPE). HDPE particles grow in a loop slurry reactor, and particle swelling and slurry viscosity are critical parts in the process. This thesis is concerned with the thermodynamic aspects of liquid and solid polyethylene, and liquid-liquid and solid-liquid equilibria in solvent-polyethylene systems. It also covers studies of vapor-liquid and solid-liquid equilibria in solvent-n-alkane system...

  2. Equilibria, Fixed Points, and Complexity Classes

    CERN Document Server

    Yannakakis, Mihalis

    2008-01-01

    Many models from a variety of areas involve the computation of an equilibrium or fixed point of some kind. Examples include Nash equilibria in games; market equilibria; computing optimal strategies and the values of competitive games (stochastic and other games); stable configurations of neural networks; analysing basic stochastic models for evolution like branching processes and for language like stochastic context-free grammars; and models that incorporate the basic primitives of probability and recursion like recursive Markov chains. It is not known whether these problems can be solved in polynomial time. There are certain common computational principles underlying different types of equilibria, which are captured by the complexity classes PLS, PPAD, and FIXP. Representative complete problems for these classes are respectively, pure Nash equilibria in games where they are guaranteed to exist, (mixed) Nash equilibria in 2-player normal form games, and (mixed) Nash equilibria in normal form games with 3 (or ...

  3. Phase equilibria basic principles, applications, experimental techniques

    CERN Document Server

    Reisman, Arnold

    2013-01-01

    Phase Equilibria: Basic Principles, Applications, Experimental Techniques presents an analytical treatment in the study of the theories and principles of phase equilibria. The book is organized to afford a deep and thorough understanding of such subjects as the method of species model systems; condensed phase-vapor phase equilibria and vapor transport reactions; zone refining techniques; and nonstoichiometry. Physicists, physical chemists, engineers, and materials scientists will find the book a good reference material.

  4. Multiple equilibria in radiative-convective atmospheres

    OpenAIRE

    Rennó, Nilton O.

    2011-01-01

    A one-dimensional, radiative-convective model is used to study the equilibria conditions of moist atmospheres. We show that when the hydrologic cycle is included in the model a subcritical bifurcation occurs, leading to 2 linearly stable solutions to the radiative-convective equilibria. In this case, when the net forcing is larger than a critical value, two equilibria are possible. Furthermore, a finite amplitude instability can lead to a runaway greenhouse regime when the solar forcing is la...

  5. Experimental methods for phase equilibria at high pressures.

    Science.gov (United States)

    Dohrn, Ralf; Fonseca, José M S; Peper, Stephanie

    2012-01-01

    Knowledge of high-pressure phase equilibria is crucial in many fields, e.g., for the design and optimization of high-pressure chemical and separation processes, carbon capture and storage, hydrate formation, applications of ionic liquids, and geological processes. This review presents the variety of methods to measure phase equilibria at high pressures and, following a classification, discusses the measurement principles, advantages, challenges, and error sources. Examples of application areas are given. A detailed knowledge and understanding of the different methods is fundamental not only for choosing the most suitable method for a certain task but also for the evaluation of experimental data. The discrepancy between the (sometimes low) true accuracy of published experimental data and the (high) accuracy claimed by authors is addressed. Some essential requirements for the generation of valuable experimental results are summarized.

  6. Phase equilibria of carbohydrates in polar solvents

    DEFF Research Database (Denmark)

    Jonsdottir, Svava Osk; Rasmussen, Peter

    1999-01-01

    A method for calculating interaction energies and interaction parameters with molecular mechanics methods is extended to predict solid-liquid equilibria (SLE) for saccharides in aqueous solution, giving results in excellent agreement with experimental values. Previously, the method has been shown...... to be suitable for predicting vapor-liquid equilibria (VLE) for a variety of mixtures....

  7. Existence of Multiagent Equilibria with Limited Agents

    CERN Document Server

    Bowling, M; 10.1613/jair.1332

    2011-01-01

    Multiagent learning is a necessary yet challenging problem as multiagent systems become more prevalent and environments become more dynamic. Much of the groundbreaking work in this area draws on notable results from game theory, in particular, the concept of Nash equilibria. Learners that directly learn an equilibrium obviously rely on their existence. Learners that instead seek to play optimally with respect to the other players also depend upon equilibria since equilibria are fixed points for learning. From another perspective, agents with limitations are real and common. These may be undesired physical limitations as well as self-imposed rational limitations, such as abstraction and approximation techniques, used to make learning tractable. This article explores the interactions of these two important concepts: equilibria and limitations in learning. We introduce the question of whether equilibria continue to exist when agents have limitations. We look at the general effects limitations can have on agent b...

  8. MHD equilibria with diamagnetic effects

    Science.gov (United States)

    Tessarotto, M.; Zorat, R.; Johnson, J. L.; White, R. B.

    1997-11-01

    An outstanding issue in magnetic confinement is the establishment of MHD equilibria with enhanced flow shear profiles for which turbulence (and transport) may be locally effectively suppressed or at least substantially reduced with respect to standard weak turbulence models. Strong flows develop in the presence of equilibrium E× B-drifts produced by a strong radial electric field, as well as due to diamagnetic contributions produced by steep equilibrium radial profiles of number density, temperature and the flow velocity itself. In the framework of a kinetic description, this generally requires the construction of guiding-center variables correct to second order in the relevant expansion parameter. For this purpose, the Lagrangian approach developed recently by Tessarotto et al. [1] is adopted. In this paper the conditions of existence of such equilibria are analyzed and their basic physical properties are investigated in detail. 1 - M. Pozzo, M. Tessarotto and R. Zorat, in Theory of fusion Plasmas, E.Sindoni et al. eds. (Societá Italiana di Fisica, Editrice Compositori, Bologna, 1996), p.295.

  9. Inefficient equilibria in transition economy

    Directory of Open Access Journals (Sweden)

    Sergei Guriev

    1999-01-01

    Full Text Available The paper studies a general equilibrium in an economy where all market participants face a bid-ask spread. The spread may be caused by indirect business taxes, middlemen rent-seeking, delays in payments or liquidity constraints or price uncertainty. Wherever it comes from the spread causes inefficiency of the market equilibrium. We discuss some institutions that can decrease the inefficiency. One is second currency (barter exchange in the inter-firm transactions. It is shown that the general equilibrium in an economy with second currency is effective though is still different from Arrow–Debreu equilibrium. Another solution can be introduction of mutual trade credit. In the economy with trade credit there are multiple equilibria that are more efficient than original bid-ask spread but still not as efficient as Arrow–Debreu one, too. The implications for firms' integration and applicability to Russian economy are discussed.

  10. Motion Control along Relative Equilibria

    DEFF Research Database (Denmark)

    Nordkvist, Nikolaj

    2008-01-01

    The subject of this thesis is control of mechanical systems as they evolve along the steady motions called relative equilibria. These trajectories are of interest in theory and applications and have the characterizing property that the system's body-fixed velocity is constant. For example, constant......-speed rotation about a principal axis is a relative equilibrium of a rigid body in three dimensions. We focus our study on simple mechanical control systems on Lie groups, i.e., mechanical systems with the following properties: the configuration manifold is a matrix Lie group, the total energy is equal...... on a Lie group is locally controllable along a relative equilibrium. These conditions subsume the well-known local controllability conditions for equilibrium points. Second, for systems that have fewer controls than degrees of freedom, we present a novel algorithm to control simple mechanical control...

  11. Beam-induced tensor pressure tokamak equilibria

    International Nuclear Information System (INIS)

    D-shaped tensor pressure tokamak equilibria induced by neutral-beam injection are computed. The beam pressure components are evaluated from the moments of a distribution function that is a solution of the Fokker-Planck equation in which the pitch-angle scattering operator is ignored. The level-psub(perpendicular) contours undergo a significant shift away from the outer edge of the device with respect to the flux surfaces for perpendicular beam injection into broad-pressure-profile equilibria. The psub(parallel) contours undergo a somewhat smaller inward shift with respect to the flux surfaces for both parallel and perpendicular injection into broad-pressure-profile equilibria. For peaked-pressure-profile equilibria, the level pressure contours nearly co-incide with the flux surfaces. (author)

  12. Braided magnetic fields: equilibria, relaxation and heating

    Science.gov (United States)

    Pontin, D. I.; Candelaresi, S.; Russell, A. J. B.; Hornig, G.

    2016-05-01

    We examine the dynamics of magnetic flux tubes containing non-trivial field line braiding (or linkage), using mathematical and computational modelling, in the context of testable predictions for the laboratory and their significance for solar coronal heating. We investigate the existence of braided force-free equilibria, and demonstrate that for a field anchored at perfectly-conducting plates, these equilibria exist and contain current sheets whose thickness scales inversely with the braid complexity—as measured for example by the topological entropy. By contrast, for a periodic domain braided exact equilibria typically do not exist, while approximate equilibria contain thin current sheets. In the presence of resistivity, reconnection is triggered at the current sheets and a turbulent relaxation ensues. We finish by discussing the properties of the turbulent relaxation and the existence of constraints that may mean that the final state is not the linear force-free field predicted by Taylor’s hypothesis.

  13. Braided magnetic fields: equilibria, relaxation and heating

    CERN Document Server

    Pontin, D I; Russell, A J B; Hornig, G

    2015-01-01

    We examine the dynamics of magnetic flux tubes containing non-trivial field line braiding (or linkage), using mathematical and computational modelling. The key results obtained from recent modelling efforts are summarised, in the context of testable predictions for the laboratory. We discuss the existence of braided force-free equilibria, and demonstrate that for a field anchored at perfectly-conducting plates, these equilibria exist and contain current sheets whose thickness scales inversely with the braid complexity - as measured for example by the topological entropy. By contrast, for a periodic domain braided exact equilibria typically do not exist, while approximate equilibria contain thin current sheets. In the presence of resistivity, reconnection is triggered at the current sheets and a turbulent relaxation ensues. We discuss the properties of this relaxation, and in particular the existence of constraints that may mean that the final state is not the linear force-free field predicted by Taylor's hypo...

  14. Nash equilibria via duality and homological selection

    Indian Academy of Sciences (India)

    Arnab Basu; Samik Basu; Mahan MJ

    2014-11-01

    Given a multifunction from to the -fold symmetric product Sym$_{k}(X)$, we use the Dold–Thom theorem to establish a homological selection theorem. This is used to establish existence of Nash equilibria. Cost functions in problems concerning the existence of Nash equilibria are traditionally multilinear in the mixed strategies. The main aim of this paper is to relax the hypothesis of multilinearity. We use basic intersection theory, Poincaré duality in addition to the Dold–Thom theorem.

  15. Network Connection Games with Disconnected Equilibria

    CERN Document Server

    Brandes, Ulrik; Nick, Bobo

    2008-01-01

    In this paper we extend a popular non-cooperative network creation game (NCG) to allow for disconnected equilibrium networks. There are n players, each is a vertex in a graph, and a strategy is a subset of players to build edges to. For each edge a player must pay a cost, and the utility is a trade-off between edge costs and shortest path lengths to all other players. We extend the model to a penalized game (PCG), for which we reduce the penalty counted towards the utility for a pair of disconnected players to a finite value. Our analysis concentrates on existence, structure, and cost of disconnected regular and strong Nash equilibria. Although the PCG is not a potential game, pure Nash equilibria always and pure strong equilibria very often exist. We provide tight conditions under which disconnected (strong) Nash equilibria can evolve. Components of these equilibria must be (strong) Nash equilibria of a smaller NCG. However, in contrast to the NCG, for almost all parameter values no tree is a stable componen...

  16. Relative Equilibria of Identical Point Vortices

    Science.gov (United States)

    Aref, Hassan

    2006-11-01

    The problem of finding relative equilibria of identical point vortices is classical and was considered by Kelvin and J. J. Thomson almost immediately after the model had been introduced by Helmholtz in 1858. At the time relative equilibria of vortices were proposed as models of atoms. Apart from the intrinsic interest of the problem, and its mathematical challenge, such equilibria have been used as models for stationary states of distributed vortices, and have been observed in rotating superfluids, most recently in spectacular images of BECs. Simple equilibria such as regular polygons (both open and centered) were found and analyzed in the 19th century. Double rings and more recently triple rings have been found analytically. However, the numerically known relative equilibria continue to greatly outnumber those that are analytically known. A major numerical exploration was undertaken by Campell & Ziff in 1978 resulting in what is known as the Los Alamos Catalog. We will explore the results in this catalog and what we have learned since then, and present details on the quest for an analytical understanding of these intriguing states.

  17. Effect of the interaction between the chemical and the magnetic ordering on the phase equilibria of iron base alloys%化学有序及磁有序在铁基合金相平衡影响方面的交互作用

    Institute of Scientific and Technical Information of China (English)

    大沼郁雄

    2005-01-01

    It is well known that the magnetic properties such as the Curie temperature TmagC and the mean magnetic moment β of ordered compounds have different values from those of the disordered solutions. For instance, both Tcmag and β of the Ni3 Pt (L12) and NiPt (L10) and Tcmag of the CoPt (L10) and CoPt3 (L12) ordered compounds are strongly depressed due to the ordering compared with those of the metastable disordered Ni-Pt and Co-Pt alloys. On the other hand, the γ-FeNi3(L12) and the α-FeCo (B2) ordered compounds have higher Tcmag and β values comparing with the disordered solution phases, γ (A1) and α (A2), respectively. In consequence, the stability of the ordered phase is depressed or enhanced due to the interaction between the chemical and magnetic ordering caused by the decrease or increase of Tcmag and β values. The purpose of this study is to investigate the effect of the interaction between the chemical and the magnetic ordering on the phase equilibria in the Fe-X(X=Al, Co, Ni, Rh, Si) binary systems.The Gibbs energy of the α(A2), γ(A1) and liquid phases is described by a sub-regular solution approximatior. The ordering contribution to the Gibbs energy ,ΔGmorder, and deviations of magnetic properties, ΔTcmag and Δβ, of the ordered compounds, FeAl(B2), Fe3 Al (D03), FeCo (B2), FeRh (B2), FeSi (B2), Fe3 Si (D03) and FeNi3 (L12) is introduced by the split compound energy formalism. Effect of the interaction between the chemical ordering, B2, D03 and L12 and the magnetic ordering on the phase equilibria will be discussed according to the calculated phase diagrams of the Fe-X binary systems.

  18. Why mixed equilibria may not be conventions

    DEFF Research Database (Denmark)

    Hansen, Pelle Guldborg

    2008-01-01

    In his Convention (1969) David Lewis defined conventions as behavioural regularities instantiating proper coordination equilibria made salient by precedent and operational by this being common knowledge. While later proponents of game theoretical approaches in the study of convention have agreed on...... dropping Lewis' eccentric ‘coordination' requirement as well as that of common knowledge, they are confused on whether conventions should be regarded as proper thereby precluding mixed equilibria. In this paper I argue that mixed equilibria may not be conventions, but also suggest that the reason for this...... reveals that though common knowledge is not necessary for a convention to operate, it may be utilized as to identify the conventional aspect of a given practice....

  19. Instability of Magnetic Equilibria in Barotropic Stars

    CERN Document Server

    Mitchell, J P; Reisenegger, A; Spruit, H; Valdivia, J A; Langer, N

    2014-01-01

    In stably stratified stars, numerical magneto-hydrodynamics simulations have shown that arbitrary initial magnetic fields evolve into stable equilibrium configurations, usually containing nearly axisymmetric, linked poloidal and toroidal fields that stabilize each other. In this work, we test the hypothesis that stable stratification is a requirement for the existence of such stable equilibria. For this purpose, we follow numerically the evolution of magnetic fields in barotropic (and thus neutrally stable) stars, starting from two different types of initial conditions, namely random disordered magnetic fields, as well as linked poloidal-toroidal configurations resembling the previously found equilibria. With many trials, we always find a decay of the magnetic field over a few Alfv\\'en times, never a stable equilibrium. This strongly suggests that there are no stable equilibria in barotropic stars, thus clearly invalidating the assumption of barotropic equations of state often imposed on the search of magneti...

  20. Stability of relative equilibria of three vortices

    DEFF Research Database (Denmark)

    Aref, Hassan

    2009-01-01

    Three point vortices on the unbounded plane have relative equilibria wherein the vortices either form an equilateral triangle or are collinear. While the stability analysis of the equilateral triangle configurations is straightforward, that of the collinear relative equilibria is considerably more...... for the three eigenvalues determining the stability, including a new formula for the angular velocity of rotation of a collinear relative equilibrium. A graphical representation of the space of vortex circulations is introduced, and the resultants between various polynomials that enter the problem are used....... This approach adds considerable transparency to the solution of the stability problem and provides more physical understanding. The main results are summarized in a diagram that gives both the stability and instability of the various collinear relative equilibria and their sense of rotation....

  1. Real Indeterminacy of Stationary Monetary Equilibria in Centralized Economies

    OpenAIRE

    Kamiya, Kazuya; Kubota, So; Nakajima, Kayuna

    2011-01-01

    In this paper, we present a new logic of indeterminacy of stationary monetary equilibria. We rst show that, in a class of dynamic Walrasian market models with at money, stationary equilibria are indeterminate; that is, there exists a continuum of stationary equilibria, where the value of money varies across the stationary equilibria. Then we explore the logic of the indeterminacy, and show that it can be applied not only to dynamic Walrasian market models but also to Jean et al. (2010)'s sear...

  2. Effect of temperature on acid–base equilibria in separation techniques. A review

    Energy Technology Data Exchange (ETDEWEB)

    Gagliardi, Leonardo G.; Tascon, Marcos; Castells, Cecilia B., E-mail: castells@isis.unlp.edu.ar

    2015-08-19

    Studies on the theoretical principles of acid–base equilibria are reviewed and the influence of temperature on secondary chemical equilibria within the context of separation techniques, in water and also in aqueous-organic solvent mixtures, is discussed. In order to define the relationships between the retention in liquid chromatography or the migration velocity in capillary electrophoresis and temperature, the main properties of acid–base equilibria have to be taken into account for both, the analytes and the conjugate pairs chosen to control the solution pH. The focus of this review is based on liquid–liquid extraction (LLE), liquid chromatography (LC) and capillary electrophoresis (CE), with emphasis on the use of temperature as a useful variable to modify selectivity on a predictable basis. Simplified models were evaluated to achieve practical optimizations involving pH and temperature (in LLE and CE) as well as solvent composition in reversed-phase LC. - Highlights: • The study of theoretical principles of acid–base equilibrium has been reviewed. • The proton transfer process is often present in the analytical separation practice. • The influence of temperature on secondary chemical equilibria is examined. • The focus is laid on liquid chromatography and capillary electrophoresis. • Temperature can be a useful variable to modify selectivity under predictable basis.

  3. Optimal Cartel Equilibria with Imperfect Monitoring

    OpenAIRE

    Dilip Abreu; David Pearce; Ennio Stacchetti

    1984-01-01

    There exist optimal symmetric equilibria in the Green-Porter model [5, 8] having an elementary intertemporal structure. Such an equilibrium is described entirely by two subsets of price space and two quantities, the only production levels used by firms in any contingency. The central technique employed in the analysis is the reduction of the repeated game to a family of static games.

  4. Instability of magnetic equilibria in barotropic stars

    Science.gov (United States)

    Mitchell, J. P.; Braithwaite, J.; Reisenegger, A.; Spruit, H.; Valdivia, J. A.; Langer, N.

    2015-02-01

    In stably stratified stars, numerical magnetohydrodynamics simulations have shown that arbitrary initial magnetic fields evolve into stable equilibrium configurations, usually containing nearly axisymmetric, linked poloidal and toroidal fields that stabilize each other. In this work, we test the hypothesis that stable stratification is a requirement for the existence of such stable equilibria. For this purpose, we follow numerically the evolution of magnetic fields in barotropic (and thus neutrally stable) stars, starting from two different types of initial conditions, namely random disordered magnetic fields, as well as linked poloidal-toroidal configurations resembling the previously found equilibria. With many trials, we always find a decay of the magnetic field over a few Alfvén times, never a stable equilibrium. This strongly suggests that there are no stable equilibria in barotropic stars, thus clearly invalidating the assumption of barotropic equations of state often imposed on the search of magnetic equilibria. It also supports the hypothesis that, as dissipative processes erode the stable stratification, they might destabilize previously stable magnetic field configurations, leading to their decay.

  5. Equilibria with incompressible flows from symmetry analysis

    CERN Document Server

    Kuiroukidis, Ap

    2015-01-01

    We identify and study new nonlinear axisymmetric equilibria with incompressible flow of arbitrary direction satisfying a generalized Grad Shafranov equation by extending the symmetry analysis presented in [G. Cicogna and F. Pegoraro, Phys. Plasmas Vol. 22, 022520 (2015)]. In particular, we construct a typical tokamak D-shaped equilibrium with peaked toroidal current density, monotonically varying safety factor and sheared electric field.

  6. State-of-the-art review of phase equilibria

    Energy Technology Data Exchange (ETDEWEB)

    Prausnitz, J.M.

    1980-03-01

    High-pressure phase-equilibrium calculations using an equation of state are more sensitive to the mixing rules than to details in the effect of density or temperature on pressure. Attention must be given to the problem of how to extend equations of state to mixtures. One possible technique is provided by perturbation theory; another by superposition of chemical equilibria. At low or moderate pressures, vapor-phase corrections are often important. When specific intermolecular forces produce formation of molecular aggregates, strong deviations from ideal-gas behavior can be significant even at pressures well below 1 bar. When vapor-liquid equilibrium data are reduced using conventional expressions for the excess Gibbs energy, the resulting binary parameters tend to be partially correlated, it difficult, but no impossible, to calculate ternary liquid-liquid equilibria using binary parameters only. New models for calculating properties of liquid-phase mixtures mist allow for changes in free volume to give consideration to the effect of mixing on changes in rotational and vibrational degrees of freedom. Liquid-phase volumetric effects are also important in describing the solubilities of gases in solvent mixtures. Therefore, future liquid-phase models should incorporate a liquid-phase equation of state, either of the van der Waals type or, perhaps, as given by the direct-correlation function theory of liquids.

  7. High-pressure fluid-phase equilibria: Experimental methods and systems investigated (2000-2004)

    DEFF Research Database (Denmark)

    Dohrn, Ralf; Peper, Stephanie; Fonseca, José

    2010-01-01

    As a part of a series of reviews, a compilation of systems for which high-pressure phase-equilibrium data were published between 2000 and 2004 is given. Vapor-liquid equilibria, liquid-liquid equilibria, vapor-liquid-liquid equilibria,solid-liquid equilibria, solid-vapor equilibria, solid-vapor-l...

  8. Multiple equilibria in a simple elastocapillary system

    KAUST Repository

    Taroni, Michele

    2012-09-28

    We consider the elastocapillary interaction of a liquid drop placed between two elastic beams, which are both clamped at one end to a rigid substrate. This is a simple model system relevant to the problem of surface-tension-induced collapse of flexible micro-channels that has been observed in the manufacture of microelectromechanical systems (MEMS). We determine the conditions under which the beams remain separated, touch at a point, or stick along a portion of their length. Surprisingly, we show that in many circumstances multiple equilibrium states are possible. We develop a lubrication-type model for the flow of liquid out of equilibrium and thereby investigate the stability of the multiple equilibria. We demonstrate that for given material properties two stable equilibria may exist, and show via numerical solutions of the dynamic model that it is the initial state of the system that determines which stable equilibrium is ultimately reached. © 2012 Cambridge University Press.

  9. Set identification in models with multiple equilibria

    OpenAIRE

    Marc Henry; Alfred Galichon

    2011-01-01

    We propose a computationally feasible way of deriving the identified features of models with multiple equilibria in pure or mixed strategies. It is shown that in the case of Shapley regular normal form games, the identified set is characterized by the inclusion of the true data distribution within the core of a Choquet capacity, which is interpreted as the generalized likelihood of the model. In turn, this inclusion is characterized by a finite set of inequalities and efficient and easily imp...

  10. Quality of equilibria in resource allocation games

    OpenAIRE

    Jong, de, J.

    2016-01-01

    In situations where multiple parties are involved, local or selfish decisions result in outcomes that rarely align with what is best for society. In order to evaluate the quality of the resulting outcomes, we first need to predict which outcomes can occur. Game theory offers answers to this question, the Nash equilibrium being the most prominent example: it is an outcome where no party can improve by unilateral deviations. In that sense Nash equilibria are a good description of a stable outco...

  11. Relative Equilibria in the Spherical, Finite Density 3-Body Problem

    CERN Document Server

    Scheeres, D J

    2016-01-01

    The relative equilibria for the spherical, finite density 3 body problem are identified. Specifically, there are 28 distinct relative equilibria in this problem which include the classical 5 relative equilibria for the point-mass 3-body problem. None of the identified relative equilibria exist or are stable over all values of angular momentum. The stability and bifurcation pathways of these relative equilibria are mapped out as the angular momentum of the system is increased. This is done under the assumption that they have equal and constant densities and that the entire system rotates about its maximum moment of inertia. The transition to finite density greatly increases the number of relative equilibria in the 3-body problem and ensures that minimum energy configurations exist for all values of angular momentum.

  12. Phase equilibria in stratified thin liquid films stabilized by colloidal particles

    OpenAIRE

    Blawzdziewicz, J.; Wajnryb, E.

    2005-01-01

    Phase equilibria between regions of different thickness in thin liquid films stabilized by colloidal particles are investigated using a quasi-two-dimensional thermodynamic formalism. Appropriate equilibrium conditions for the film tension, normal pressure, and chemical potential of the particles in the film are formulated, and it is shown that the relaxation of these parameters occurs consecutively on three distinct time scales. Film stratification is described quantitatively for a hard-spher...

  13. Ruthenium redox equilibria: 1. Thermodynamic stability of Ru(III and Ru(IV hydroxides

    Directory of Open Access Journals (Sweden)

    Igor Povar

    2016-04-01

    Full Text Available On the basis of the selected thermodynamic data for Ru(III and Ru(IV compounds in addition to original thermodynamic and graphical approach used in this paper, the thermodynamic stability areas of sparingly soluble hydroxides as well as the repartition of their soluble and insoluble chemical species towards the solution pH and initial concentrations of ruthenium in heterogeneous mixture solid phase–saturated solution have been investigated. By means of the ΔG–pH diagrams, the areas of thermodynamic stability of Ru(III and Ru(IV hydroxides have been established for a number of analytical concentrations in heterogeneous mixtures. The diagrams of heterogeneous and homogeneous chemical equilibria have been used for graphical representation of complex equilibria in aqueous solutions containing Ru(III and Ru(IV. The obtained results, based on the thermodynamic analysis and graphic design of the calculated data in the form of the diagrams of heterogeneous chemical equilibria, are in good agre­ement with the available experimental data.

  14. Exogenous empirical-evidence equilibria in perfect-monitoring repeated games yield correlated equilibria

    KAUST Repository

    Dudebout, Nicolas

    2014-12-15

    This paper proves that exogenous empirical-evidence equilibria (xEEEs) in perfect-monitoring repeated games induce correlated equilibria of the associated one-shot game. An empirical-evidence equilibrium (EEE) is a solution concept for stochastic games. At equilibrium, agents\\' strategies are optimal with respect to models of their opponents. These models satisfy a consistency condition with respect to the actual behavior of the opponents. As such, EEEs replace the full-rationality requirement of Nash equilibria by a consistency-based bounded-rationality one. In this paper, the framework of empirical evidence is summarized, with an emphasis on perfect-monitoring repeated games. A less constraining notion of consistency is introduced. The fact that an xEEE in a perfect-monitoring repeated game induces a correlated equilibrium on the underlying one-shot game is proven. This result and the new notion of consistency are illustrated on the hawk-dove game. Finally, a method to build specific correlated equilibria from xEEEs is derived.

  15. Metal biosorption equilibria in a ternary system

    Energy Technology Data Exchange (ETDEWEB)

    Chong, K.H.; Volesky, B. [McGill Univ., Montreal, Quebec (Canada). Dept. of Chemical Engineering

    1996-03-20

    Equilibrium metal uptake performance of a biosorbent prepared from Ascophyllum nodosum seaweed biomass was studied using aqueous solutions containing copper, cadmium, and zinc ions in binary and ternary mixtures. Triangular equilibrium diagrams can graphically represent all the ternary equilibrium sorption data. Application of the multicomponent Langmuir model to describe the three-metal system revealed its nonideal characteristics, whereby the value of apparent dissociation constants for the respective metals differed for each system. This restricted the prediction of the ternary equilibria from the binary systems. However, some predictions of the ternary system behavior from the model were consistent with experimental data and with conclusions postulated from the three possible binary subsystems.

  16. Entropy and Equilibria in Competitive Systems

    Directory of Open Access Journals (Sweden)

    A. Y. Klimenko

    2013-12-01

    Full Text Available This paper investigates the applicability of thermodynamic concepts and principles to competitive systems. We show that Tsallis entropies are suitable for the characterisation of systems with transitive competition when mutations deviate from Gibbs mutations. Different types of equilibria in competitive systems are considered and analysed. As competition rules become more and more intransitive, thermodynamic analogies are eroded, and the behaviour of the system can become complex. This work analyses the phenomenon of punctuated evolution in the context of the competitive risk/benefit dilemma.

  17. High temperature phase equilibria and phase diagrams

    CERN Document Server

    Kuo, Chu-Kun; Yan, Dong-Sheng

    2013-01-01

    High temperature phase equilibria studies play an increasingly important role in materials science and engineering. It is especially significant in the research into the properties of the material and the ways in which they can be improved. This is achieved by observing equilibrium and by examining the phase relationships at high temperature. The study of high temperature phase diagrams of nonmetallic systems began in the early 1900s when silica and mineral systems containing silica were focussed upon. Since then technical ceramics emerged and more emphasis has been placed on high temperature

  18. A unifying approach to existence of Nash equilibria

    NARCIS (Netherlands)

    Balder, E.J.

    2001-01-01

    An approach initiated in [4] is shown to unify results about the existence of (i) Nash equilibria in games with at most countably many players, (ii) Cournot-Nash equilibrium distributions for large, anonymous games, and (iii) Nash equilibria (both mixed and pure) for continuum games. A new, central

  19. Correlated Equilibria in Continuous Games: Characterization and Computation

    OpenAIRE

    Stein, Noah D.; Parrilo, Pablo A.; Ozdaglar, Asuman

    2008-01-01

    We present several new characterizations of correlated equilibria in games with continuous utility functions. These have the advantage of being more computationally and analytically tractable than the standard definition in terms of departure functions. We use these characterizations to construct effective algorithms for approximating a single correlated equilibrium or the entire set of correlated equilibria of a game with polynomial utility functions.

  20. The use of radioisotopes for determination of complex equilibria

    International Nuclear Information System (INIS)

    Radioisotopes can be used for determination of complex equilibria in solution, provided this solution is in equilibrium with another phase. The most versatile systems for studying aqueous solutions use solvent-extraction and ion-exchange methods. These two methods more seen be to universally practical for determining complex equilibria than EMF, spectrophotometric and other more conventional ones. (author)

  1. On the performance of approximate equilibria in congestion games

    CERN Document Server

    Christodoulou, George; Spirakis, Paul

    2008-01-01

    We study the performance of approximate Nash equilibria for linear congestion games. We consider how much the price of anarchy worsens and how much the price of stability improves as a function of the approximation factor $\\epsilon$. We give (almost) tight upper and lower bounds for both the price of anarchy and the price of stability for atomic and non-atomic congestion games. Our results not only encompass and generalize the existing results of exact equilibria to $\\epsilon$-Nash equilibria, but they also provide a unified approach which reveals the common threads of the atomic and non-atomic price of anarchy results. By expanding the spectrum, we also cast the existing results in a new light. For example, the Pigou network, which gives tight results for exact Nash equilibria of selfish routing, remains tight for the price of stability of $\\epsilon$-Nash equilibria but not for the price of anarchy.

  2. TOKAMAK EQUILIBRIA WITH CENTRAL CURRENT HOLES AND NEGATIVE CURRENT DRIVE

    Energy Technology Data Exchange (ETDEWEB)

    CHU, M.S.; PARKS, P.B.

    2002-06-01

    OAK B202 TOKAMAK EQUILIBRIA WITH CENTRAL CURRENT HOLES AND NEGATIVE CURRENT DRIVE. Several tokamak experiments have reported the development of a central region with vanishing currents (the current hole). Straightforward application of results from the work of Greene, Johnson and Weimer [Phys. Fluids, 3, 67 (1971)] on tokamak equilibrium to these plasmas leads to apparent singularities in several physical quantities including the Shafranov shift and casts doubts on the existence of this type of equilibria. In this paper, the above quoted equilibrium theory is re-examined and extended to include equilibria with a current hole. It is shown that singularities can be circumvented and that equilibria with a central current hole do satisfy the magnetohydrodynamic equilibrium condition with regular behavior for all the physical quantities and do not lead to infinitely large Shafranov shifts. Isolated equilibria with negative current in the central region could exist. But equilibria with negative currents in general do not have neighboring equilibria and thus cannot have experimental realization, i.e. no negative currents can be driven in the central region.

  3. Three-dimensional magnetohydrodynamic equilibria - I

    International Nuclear Information System (INIS)

    By using an analytical method, the paper treats the three-dimensional magnetohydrodynamic equilibria of an incompressible, perfectly conducting plasma with an embedded magnetic field in the presence of a gravitational field. We derive a nonlinear second-order partial differential equation for the magnetic potential or stream function. According to the basic equation obtained by us, we analyse a simple example of solutions with the realistic physical property. This set of solutions represents a magnetohydrodynamic equilibrium model for the solar prominence. The results show that the z-component of the inertia force is everywhere upward, adding to upward the Lorentz force and pressure gradient in supporting the plasma weight in a magnetic well. (author)

  4. An Algorithm for Computing All Berge Equilibria

    Directory of Open Access Journals (Sweden)

    H. W. Corley

    2015-01-01

    Full Text Available An algorithm is presented in this note for determining all Berge equilibria for an n-person game in normal form. This algorithm is based on the notion of disappointment, with the payoff matrix (PM being transformed into a disappointment matrix (DM. The DM has the property that a pure strategy profile of the PM is a BE if and only if (0,…,0 is the corresponding entry of the DM. Furthermore, any (0,…,0 entry of the DM is also a more restrictive Berge-Vaisman equilibrium if and only if each player’s BE payoff is at least as large as the player’s maximin security level.

  5. Perspective on Free-Energy Perturbation Calculations for Chemical Equilibria

    Science.gov (United States)

    Jorgensen, William L.; Thomas, Laura L.

    2009-01-01

    An overview is provided on the computation of free energy changes in solution using perturbation theory, overlap sampling, and related approximate methods. As a specific application, extensive results are provided for free energies of hydration of substituted benzenes using the OPLS-AA force field in explicit TIP4P water. For a similar amount of computer time, the double-wide sampling and overlap sampling methods yield very similar results in the free-energy perturbation calculations. With standard protocols, the average statistical uncertainty in computed differences in free energies of hydration is 0.1 – 0.2 kcal/mol. Application of the power-series expansion in the Peierls equation was also tested. Use of the first-order term is generally reliable, while inclusion of the slowly-convergent, second-order fluctuation term causes deterioration in the results for strongly hydrogen-bonded solutes. PMID:19936324

  6. On Pure and (approximate) Strong Equilibria of Facility Location Games

    DEFF Research Database (Denmark)

    Hansen, Thomas Dueholm; Telelis, Orestis A.

    2008-01-01

    We study social cost losses in Facility Location games, where n selfish agents install facilities over a network and connect to them, so as to forward their local demand (expressed by a non-negative weight per agent). Agents using the same facility share fairly its installation cost, but every...... agent pays individually a (weighted) connection cost to the chosen location. We study the Price of Stability (PoS) of pure Nash equilibria and the Price of Anarchy of strong equilibria (SPoA), that generalize pure equilibria by being resilient to coalitional deviations. For unweighted agents on metric...

  7. CONSTRUCTING EXAMPLES WITH 5 EQUILIBRIA FOR SYMMETRIC 3 × 2 CES / LES PURE EXCHANGE ECONOMIES

    Institute of Scientific and Technical Information of China (English)

    Huang Hui; Shi Xiaojun; Zhang Shunming

    2012-01-01

    This paper explores the existence of multiple equilibria for symmetric 3 individual,2 good CES / LES pure exchange economies.Analytically,we show that there are no more than 5 equilibria in such economies.The number of equilibria varies from 5 to 3 then to 1.We generalize our analytical results of existence of 1,3,5 equilibria for a wide range of parametrizations.We also provide concrete examples of 1,3,5 equilibria with parameter zones specified.

  8. The freedom to choose neutron star magnetic field equilibria

    CERN Document Server

    Glampedakis, Kostas

    2016-01-01

    Our ability to interpret and glean useful information from the large body of observations of strongly magnetised neutron stars rests largely on our theoretical understanding of magnetic field equilibria. We answer the following question: is one free to arbitrarily prescribe magnetic equilibria such that fluid degrees of freedom can balance the equilibrium equations? We examine this question for various models for neutron star matter; from the simplest single-fluid barotrope to more realistic non-barotropic multifluid models with superfluid/superconducting components, muons and entropy. We do this for both axi- and non-axisymmetric equilibria, and in Newtonian gravity and general relativity. We show that, in axisymmetry, the most realistic model allows complete freedom in choosing a magnetic field equilibrium whereas non-axisymmetric equilibria are never completely arbitrary.

  9. The freedom to choose neutron star magnetic field equilibria

    Science.gov (United States)

    Glampedakis, Kostas; Lasky, Paul D.

    2016-08-01

    Our ability to interpret and glean useful information from the large body of observations of strongly magnetised neutron stars rests largely on our theoretical understanding of magnetic field equilibria. We answer the following question: is one free to arbitrarily prescribe magnetic equilibria such that fluid degrees of freedom can balance the equilibrium equations? We examine this question for various models for neutron star matter; from the simplest single-fluid barotrope to more realistic non-barotropic multifluid models with superfluid/superconducting components, muons and entropy. We do this for both axi- and non-axisymmetric equilibria, and in Newtonian gravity and general relativity. We show that, in axisymmetry, the most realistic model allows complete freedom in choosing a magnetic field equilibrium whereas non-axisymmetric equilibria are never completely arbitrary.

  10. Learning Equilibria with Partial Information in Decentralized Wireless Networks

    CERN Document Server

    Rose, Luca; Lasaulce, Samson; Debbah, Mérouane

    2011-01-01

    In this article, a survey of several important equilibrium concepts for decentralized networks is presented. The term decentralized is used here to refer to scenarios where decisions (e.g., choosing a power allocation policy) are taken autonomously by devices interacting with each other (e.g., through mutual interference). The iterative long-term interaction is characterized by stable points of the wireless network called equilibria. The interest in these equilibria stems from the relevance of network stability and the fact that they can be achieved by letting radio devices to repeatedly interact over time. To achieve these equilibria, several learning techniques, namely, the best response dynamics, fictitious play, smoothed fictitious play, reinforcement learning algorithms, and regret matching, are discussed in terms of information requirements and convergence properties. Most of the notions introduced here, for both equilibria and learning schemes, are illustrated by a simple case study, namely, an interfe...

  11. The freedom to choose neutron star magnetic field equilibria

    OpenAIRE

    Glampedakis, Kostas; Lasky, Paul D.

    2016-01-01

    Our ability to interpret and glean useful information from the large body of observations of strongly magnetised neutron stars rests largely on our theoretical understanding of magnetic field equilibria. We answer the following question: is one free to arbitrarily prescribe magnetic equilibria such that fluid degrees of freedom can balance the equilibrium equations? We examine this question for various models for neutron star matter; from the simplest single-fluid barotrope to more realistic ...

  12. Calculation of Liquid Water-Hydrate-Methane Vapor Phase Equilibria from Molecular Simulations

    DEFF Research Database (Denmark)

    Jensen, Lars; Thomsen, Kaj; von Solms, Nicolas;

    2010-01-01

    Monte Carlo simulation methods for determining fluid- and crystal-phase chemical potentials are used for the first time to calculate liquid water-methane hydrate-methane vapor phase equilibria from knowledge of atomistic interaction potentials alone. The water and methane molecules are modeled...... using the TIP4P/ice potential and a united-atom Lennard-Jones potential. respectively. The equilibrium calculation method for this system has three components, (i) thermodynamic integration from a supercritical ideal gas to obtain the fluid-phase chemical potentials. (ii) calculation of the chemical...... potential of the zero-occupancy hydrate system using thermodynamic integration from an Einstein crystal reference state, and (iii) thermodynamic integration to obtain the water and guest molecules' chemical potentials as a function of the hydrate occupancy. The three-phase equilibrium curve is calculated...

  13. Two-dimensional magnetohydrodynamic equilibria with flow and studies of equilibria fluctuations

    International Nuclear Information System (INIS)

    A set of reduced ideal MHD equations is derived to investigate equilibria of plasmas with mass flow in general two-dimensional geometry. These equations provide a means of investigating the effects of flow on self-consistent equilibria in a number of new two-dimensional configurations such as helically symmetric configurations with helical axis, which are relevant to stellarators, as well as axisymmetric configurations. It is found that as in the axisymmetric case, general two-dimensional flow equilibria are governed by a second-order quasi-linear partial differential equation for a magnetic flux function, which is coupled to a Bernoulli-type equation for the density. The equation for the magnetic flux function becomes hyperbolic at certain critical flow speeds which follow from its characteristic equation. When the equation is hyperbolic, shock phenomena may exist. As a particular example, unidirectional flow along the lines of symmetry is considered. In this case, the equation mentioned above is always elliptic. An exact solution for the case of helically symmetric unidirectional flow is found and studied to determine flow effects on the magnetic topology. In second part of this thesis, magnetic fluctuations due to the thermally excited MHD waves are investigated using fluid and kinetic models to describe stable, uniform, compressible plasma in the range above the drift wave frequency and below the ion cyclotron frequency. It is shown that the fluid model with resistivity yields spectral densities which are roughly Lorentzian, exhibit equipartition with no apparent cutoff in wavenumber space and a Bohm-type diffusion coefficient. Under certain conditions, the ensuing transport may be comparable to classical values. For a phenomenological cutoff imposed on the spectrum, the typical fluctuating-to-equilibrium magnetic field ratio is found to be of the order of 10 -10

  14. Equilibrium Constant as Solution to the Open Chemical Systems

    OpenAIRE

    Zilbergleyt, B.

    2008-01-01

    According to contemporary views, equilibrium constant is relevant only to true thermodynamic equilibria in isolated systems with one chemical reaction. The paper presents a novel formula that ties-up equilibrium constant and chemical system composition at any state, isolated or open as well. Extending the logarithmic logistic map of the Discrete Thermodynamics of Chemical Equilibria, this formula maps the system population at isolated equilibrium into the population at any open equilibrium at...

  15. Unifying dynamical and structural stability of equilibria

    Science.gov (United States)

    Arnoldi, Jean-François; Haegeman, Bart

    2016-09-01

    We exhibit a fundamental relationship between measures of dynamical and structural stability of linear dynamical systems-e.g. linearized models in the vicinity of equilibria. We show that dynamical stability, quantified via the response to external perturbations (i.e. perturbation of dynamical variables), coincides with the minimal internal perturbation (i.e. perturbations of interactions between variables) able to render the system unstable. First, by reformulating a result of control theory, we explain that harmonic external perturbations reflect the spectral sensitivity of the Jacobian matrix at the equilibrium, with respect to constant changes of its coefficients. However, for this equivalence to hold, imaginary changes of the Jacobian's coefficients have to be allowed. The connection with dynamical stability is thus lost for real dynamical systems. We show that this issue can be avoided, thus recovering the fundamental link between dynamical and structural stability, by considering stochastic noise as external and internal perturbations. More precisely, we demonstrate that a linear system's response to white-noise perturbations directly reflects the intensity of internal white-noise disturbance that it can accommodate before becoming stochastically unstable.

  16. Tearing Mode Stability of Evolving Toroidal Equilibria

    Science.gov (United States)

    Pletzer, A.; McCune, D.; Manickam, J.; Jardin, S. C.

    2000-10-01

    There are a number of toroidal equilibrium (such as JSOLVER, ESC, EFIT, and VMEC) and transport codes (such as TRANSP, BALDUR, and TSC) in our community that utilize differing equilibrium representations. There are also many heating and current drive (LSC and TORRAY), and stability (PEST1-3, GATO, NOVA, MARS, DCON, M3D) codes that require this equilibrium information. In an effort to provide seamless compatibility between the codes that produce and need these equilibria, we have developed two Fortran 90 modules, MEQ and XPLASMA, that serve as common interfaces between these two classes of codes. XPLASMA provides a common equilibrium representation for the heating and current drive applications while MEQ provides common equilibrium and associated metric information needed by MHD stability codes. We illustrate the utility of this approach by presenting results of PEST-3 tearing stability calculations of an NSTX discharge performed on profiles provided by the TRANSP code. Using the MEQ module, the TRANSP equilibrium data are stored in a Fortran 90 derived type and passed to PEST3 as a subroutine argument. All calculations are performed on the fly, as the profiles evolve.

  17. The CHEASE code for toroidal MHD equilibria

    International Nuclear Information System (INIS)

    CHEASE solves the Grad-Shafranov equation for the MHD equilibrium of a Tokamak-like plasma with pressure and current profiles specified by analytic forms or sets of data points. Equilibria marginally stable to ballooning modes or with a prescribed fraction of bootstrap current can be computed. The code provides a mapping to magnetic flux coordinates, suitable for MHD stability calculations or global wave propagation studies. The code computes equilibrium quantities for the stability codes ERATO, MARS, PEST, NOVA-W and XTOR and for the global wave propagation codes LION and PENN. The two-dimensional MHD equilibrium (Grad-Shafranov) equation is solved in variational form. The discretization uses bicubic Hermite finite elements with continuous first order derivates for the poloidal flux function Ψ. The nonlinearity of the problem is handled by Picard iteration. The mapping to flux coordinates is carried out with a method which conserves the accuracy of the cubic finite elements. The code uses routines from the CRAY libsci.a program library. However, all these routines are included in the CHEASE package itself. If CHEASE computes equilibrium quantities for MARS with fast Fourier transforms, the NAG library is required. CHEASE is written in standard FORTRAN-77, except for the use of the input facility NAMELIST. CHEASE uses variable names with up to 8 characters, and therefore violates the ANSI standard. CHEASE transfers plot quantities through an external disk file to a plot program named PCHEASE using the UNIRAS or the NCAR plot package. (author) figs., tabs., 34 refs

  18. Optimal equilibria of the best shot game

    CERN Document Server

    Dall'Asta, L; Ramezanpour, A

    2010-01-01

    We consider any network environment in which the "best shot game" is played. This is the case where the possible actions are only two for every node (0 and 1), and the best response for a node is 1 if and only if all her neighbors play 0. A natural application of the model is one in which the action 1 is the purchase of a good, which is locally a public good, in the sense that it will be available also to neighbors. This game typically exhibits a great multiplicity of equilibria. Imagine a social planner whose scope is to find an optimal equilibrium, i.e. one in which the number of nodes playing 1 is minimal. To find such an equilibrium is a very hard task for any non-trivial network architecture. We propose an implementable mechanism that, in the limit of infinite time, reaches an optimal equilibrium, even if this equilibrium and even the network structure is unknown to the social planner.

  19. Bilinear Relative Equilibria of Identical Point Vortices

    DEFF Research Database (Denmark)

    Aref, H.; Beelen, Peter; Brøns, Morten

    2012-01-01

    -axis and n on the x-axis. We define generating polynomials q(z) and p(z), respectively, for each set of vortices. A second-order, linear ODE for p(z) given q(z) is derived. Several results relating the general solution of the ODE to relative equilibrium configurations are established. Our strongest result......A new class of bilinear relative equilibria of identical point vortices in which the vortices are constrained to be on two perpendicular lines, conveniently taken to be the x- and y-axes of a Cartesian coordinate system, is introduced and studied. In the general problem we have m vortices on the y......, obtained using Sturm’s comparison theorem, is that if p(z) satisfies the ODE for a given q(z) with its imaginary zeros symmetric relative to the x-axis, then it must have at least n−m+2 simple, real zeros. For m=2 this provides a complete characterization of all zeros, and we study this case in some detail...

  20. Effect of Solvent on Protonation Equilibria of L-Proline and L-Valine in 1, 2-Propanediol-Water Mixtures

    OpenAIRE

    Bhushanavathi, P.; Veeraswamy, B.; Rao, G. Nageswara; Viplavaprasad, U.

    2012-01-01

    Protonation equilibria of L-proline and L-valine in varying compositions (0.0-60.0% v/v) of 1, 2-Propanediol-water mixtures were investigated pH-metrically. Titrations were performed at 303.0 K and the ionic strength of the medium was maintained at 0.16 mol L-1 using sodium chloride. The best fit chemical models of the protonation equilibria were based on crystallographic R-factor, Χ2, skewness, and kurtosis. All the protonation constants of proline and valine increased with increasing propan...

  1. Grand Equilibrium: vapour-liquid equilibria by a new molecular simulation method

    CERN Document Server

    Vrabec, J

    2009-01-01

    A new molecular simulation method for the calculation of vapour-liquid equilibria of mixtures is presented. In this method, the independent thermodynamic variables are temperature and liquid composition. In the first step, one isobaric isothermal simulation for the liquid phase is performed, in which the chemical potentials of all components and their derivatives with respect to the pressure, i.e., the partial molar volumes, are calculated. From these results, first order Taylor series expansions for the chemical potentials as functions of the pressure $\\mu_i(p)$ at constant liquid composition are determined. That information is needed, as the specified pressure in the liquid will generally not be equal to the equilibrium pressure, which has to be found in the course of a vapour simulation. In the second step, one pseudo grand canonical simulation for the vapour phase is performed, where the chemical potentials are set according to the instantaneous pressure $p^v$ using the previously determined function $\\mu...

  2. 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

  3. The mechanics of rocking stones: equilibria on separated scales

    CERN Document Server

    Domokos, Gábor; Szabó, Tímea

    2011-01-01

    Rocking stones, balanced in counter-intuitive positions have always intrigued geologists. In our paper we explain this phenomenon based on high-precision scans of pebbles which exhibit similar behavior. We construct their convex hull and the heteroclinic graph carrying their equilibrium points. By systematic simplification of the arising Morse-Smale complex in a one-parameter process we show that equilibria occur typically in highly localized groups (flocks), the number of the latter can be reliably observed and determined by hand experiments. Both local and global (micro and macro) equilibria can be either stable or unstable. Most commonly, rocks and pebbles are balanced on stable local equilibria belonging to stable flocks. However, it is possible to balance a convex body on a stable local equilibrium belonging to an unstable flock and this is the intriguing mechanical scenario corresponding to rocking stones. Since outside observers can only reliably perceive flocks, the last described situation will appea...

  4. Long-range correlations and coherent structures in magnetohydrodynamic equilibria.

    Science.gov (United States)

    Weichman, Peter B

    2012-12-01

    The equilibrium theory of the 2D magnetohydrodynamic equations is derived, accounting for the full infinite hierarchies of conserved integrals. An exact description in terms of two coupled elastic membranes emerges, producing long-ranged correlations between the magnetic and velocity fields. This is quite different from the results of previous variational treatments, which relied on a local product ansatz for the thermodynamic Gibbs distribution. The equilibria display the same type of coherent structures, such as compact eddies and zonal jets, previously found in pure fluid equilibria. Possible consequences of this for recent simulations of the solar tachocline are discussed.

  5. Applied chemical engineering thermodynamics

    CERN Document Server

    Tassios, Dimitrios P

    1993-01-01

    Applied Chemical Engineering Thermodynamics provides the undergraduate and graduate student of chemical engineering with the basic knowledge, the methodology and the references he needs to apply it in industrial practice. Thus, in addition to the classical topics of the laws of thermodynamics,pure component and mixture thermodynamic properties as well as phase and chemical equilibria the reader will find: - history of thermodynamics - energy conservation - internmolecular forces and molecular thermodynamics - cubic equations of state - statistical mechanics. A great number of calculated problems with solutions and an appendix with numerous tables of numbers of practical importance are extremely helpful for applied calculations. The computer programs on the included disk help the student to become familiar with the typical methods used in industry for volumetric and vapor-liquid equilibria calculations.

  6. Computing Proper Equilibria of Zero-Sum Games

    DEFF Research Database (Denmark)

    Miltersen, Peter Bro; Sørensen, Troels Bjerre

    2007-01-01

    We show that a proper equilibrium of a matrix game can be found in polynomial time by solving a linear (in the number of pure strategies of the two players) number of linear programs of roughly the same dimensions as the standard linear programs describing the Nash equilibria of the game....

  7. From Singularity Theory to Finiteness of Walrasian Equilibria

    DEFF Research Database (Denmark)

    Castro, Sofia B.S.D.; Dakhlia, Sami F.; Gothen, Peter

    The paper establishes that for an open and dense subset of smooth exchange economies, the number of Walrasian equilibria is finite. In particular, our results extend to non-regular economies; it even holds when restricted to the subset of critical ones. The proof rests on concepts from singularity...... theory....

  8. Substituent Effects on Keto-Enol Equilibria Using NMR Spectroscopy

    Science.gov (United States)

    Manbeck, Kimberly A.; Boaz, Nicholas C.; Bair, Nathaniel C.; Sanders, Allix M. S.; Marsh, Anderson L.

    2011-01-01

    In this extension to a classic physical chemistry experiment, students record the proton nuclear magnetic resonance spectra of the [beta]-diketones 2,4-pentanedione, 3-methyl-2,4-pentanedione, and 3-chloro-2,4-pentanedione to investigate the effect of substituents on keto-enol tautomerization equilibria. From the integrated intensities of keto and…

  9. Cryptographically Blinded Games: Leveraging Players' Limitations for Equilibria and Profit

    DEFF Research Database (Denmark)

    Hubacek, Pavel; Park, Sunoo

    2014-01-01

    In this work we apply methods from cryptography to enable mutually distrusting players to implement broad classes of mediated equilibria of strategic games without trusted mediation. Our implementation uses a pre-play 'cheap talk' phase, consisting of non- binding communication between players pr...

  10. On Pure and (approximate) Strong Equilibria of Facility Location Games

    CERN Document Server

    Hansen, Thomas Dueholm

    2008-01-01

    We study social cost losses in Facility Location games, where n selfish agents install facilities over a network and connect to them, so as to forward their local demand (expressed by a non-negative weight per agent). Agents using the same facility share fairly its installation cost, but every agent pays individually a (weighted) connection cost to the chosen location. We study the Price of Stability (PoS) of pure Nash equilibria and the Price of Anarchy of strong equilibria (SPoA), that generalize pure equilibria by being resilient to coalitional deviations. A special case of recently studied network design games, Facility Location merits separate study as a classic model with numerous applications and individual characteristics: our analysis for unweighted agents on metric networks reveals constant upper and lower bounds for the PoS, while an O(ln n) upper bound implied by previous work is tight for non-metric networks. Strong equilibria do not always exist, even for the unweighted metric case. For this cas...

  11. Solid–liquid equilibria of binary mixtures of fluorinated ionic liquids†

    Science.gov (United States)

    Teles, Ana Rita R.; Correia, Helga; Maximo, Guilherme J.; Rebelo, Luís P. N.; Freire, Mara G.; Pereiro, Ana B.; Coutinho, João A. P.

    2016-01-01

    Within ionic liquids, fluorinated ionic liquids (FILs) present unique physico-chemical properties and potential applications in several fields. However, the melting point of these neoteric compounds is usually higher due to the presence of fluorine atoms. This drawback may be resolved by, for instance, mixing different FILs to create eutectic mixtures. In this work, binary mixtures of fluoro-containing and fluorinated ionic liquids were considered with the aim of decreasing their melting temperatures as well as understanding and characterizing these mixtures and their phase transitions. Five FILs were selected, allowing the investigation of four binary mixtures, each of them with a common ion. Their solid–liquid and solid–solid equilibria were studied by differential scanning calorimetry and the non-ideality of the mixtures was investigated. Overall, a variety of solid–liquid equilibria with systems exhibiting eutectic behavior, polymorphs with solid–solid phase transitions, and the formation of intermediate compounds and solid solutions were surprisingly found. In addition to these intriguing behaviours, novel FILs with lower melting temperatures were obtained by the formation of binary systems, thus enlarging the application range of FILs at lower temperatures. PMID:27603428

  12. Solid-liquid equilibria of binary mixtures of fluorinated ionic liquids.

    Science.gov (United States)

    Teles, Ana Rita R; Correia, Helga; Maximo, Guilherme J; Rebelo, Luís P N; Freire, Mara G; Pereiro, Ana B; Coutinho, João A P

    2016-09-28

    Within ionic liquids, fluorinated ionic liquids (FILs) present unique physico-chemical properties and potential applications in several fields. However, the melting point of these neoteric compounds is usually higher due to the presence of fluorine atoms. This drawback may be resolved by, for instance, mixing different FILs to create eutectic mixtures. In this work, binary mixtures of fluoro-containing and fluorinated ionic liquids were considered with the aim of decreasing their melting temperatures as well as understanding and characterizing these mixtures and their phase transitions. Five FILs were selected, allowing the investigation of four binary mixtures, each of them with a common ion. Their solid-liquid and solid-solid equilibria were studied by differential scanning calorimetry and the non-ideality of the mixtures was investigated. Overall, a variety of solid-liquid equilibria with systems exhibiting eutectic behavior, polymorphs with solid-solid phase transitions, and the formation of intermediate compounds and solid solutions were surprisingly found. In addition to these intriguing behaviours, novel FILs with lower melting temperatures were obtained by the formation of binary systems, thus enlarging the application range of FILs at lower temperatures.

  13. Chemical transport reactions

    CERN Document Server

    Schäfer, Harald

    2013-01-01

    Chemical Transport Reactions focuses on the processes and reactions involved in the transport of solid or liquid substances to form vapor phase reaction products. The publication first offers information on experimental and theoretical principles and the transport of solid substances and its special applications. Discussions focus on calculation of the transport effect of heterogeneous equilibria for a gas motion between equilibrium spaces; transport effect and the thermodynamic quantities of the transport reaction; separation and purification of substances by means of material transport; and

  14. Dissociation and ionization equilibria of deuterium fluid over a wide range of temperatures and densities

    Energy Technology Data Exchange (ETDEWEB)

    Zaghloul, Mofreh R. [Department of Physics, College of Science, United Arab Emirates University, P.O. Box 15551, Al-Ain (United Arab Emirates)

    2015-06-15

    We investigate the dissociation and ionization equilibria of deuterium fluid over a wide range of temperatures and densities. The partition functions for molecular and atomic species are evaluated, in a statistical-mechanically consistent way, implementing recent developments in the literature and taking high-density effects into account. A new chemical model (free energy function) is introduced in which the fluid is considered as a mixture of diatomic molecules, atoms, ions, and free electrons. Intensive short range hard core repulsion is taken into account together with partial degeneracy of free electrons and Coulomb interactions among charged particles. Samples of computational results are presented as a set of isotherms for the degree of ionization, dissociated fraction of molecules, pressure, and specific internal energy for a wide range of densities and temperatures. Predictions from the present model calculations show an improved and sensible physical behavior compared to other results in the literature.

  15. Extended Group Contribution Model for Polyfunctional Phase Equilibria

    DEFF Research Database (Denmark)

    Abildskov, Jens

    Material and energy balances and equilibrium data form the basis of most design calculations. While material and energy balances may be stated without much difficulty, the design engineer is left with a choice between a wide variety of models for describing phase equilibria in the design...... of physical separation processes. In a thermodynamic sense, design requires detailed knowledge of activity coefficients in the phases at equilibrium. The prediction of these quantities from a minimum of experimental data is the broad scope of this thesis. Adequate equations exist for predicting vapor......-liquid equilibria from data on binary mixtures, composed of structurally simple molecules with a single functional group. More complex is the situation with mixtures composed of structurally more complicated molecules or molecules with more than one functional group. The UNIFAC method is extended to handle...

  16. Phase diagrams and heterogeneous equilibria a practical introduction

    CERN Document Server

    Predel, Bruno; Pool, Monte

    2004-01-01

    This graduate-level textbook provides an introduction to the practical application of phase diagrams. It is intended for students and researchers in chemistry, metallurgy, mineralogy, and materials science as well as in engineering and physics. Heterogeneous equilibria are described by a minimum of theory illustrated by practical examples and realistic case discussions from the different fields of application. The treatment of the physical and energetic background of phase equilibria leads to the discussion of the thermodynamics of mixtures and the correlation between energetics and composition. Thus, tools for the prediction of energetic, structural, and physical quantities are provided. The authors treat the nucleation of phase transitions, the production and stability of technologically important metastable phases, and metallic glasses. Furthermore, the text also concisely presents the thermodynamics and composition of polymer systems.

  17. Vlasov tokamak equilibria with sheared toroidal flow and anisotropic pressure

    Energy Technology Data Exchange (ETDEWEB)

    Kuiroukidis, Ap, E-mail: kouirouki@astro.auth.gr [Technological Education Institute of Serres, 62124 Serres (Greece); Throumoulopoulos, G. N., E-mail: gthroum@uoi.gr [Department of Physics, University of Ioannina, GR 451 10 Ioannina (Greece); Tasso, H., E-mail: het@ipp.mpg.de [Max-Planck-Institut für Plasmaphysik, D-85748 Garching (Germany)

    2015-08-15

    By choosing appropriate deformed Maxwellian ion and electron distribution functions depending on the two particle constants of motion, i.e., the energy and toroidal angular momentum, we reduce the Vlasov axisymmetric equilibrium problem for quasineutral plasmas to a transcendental Grad-Shafranov-like equation. This equation is then solved numerically under the Dirichlet boundary condition for an analytically prescribed boundary possessing a lower X-point to construct tokamak equilibria with toroidal sheared ion flow and anisotropic pressure. Depending on the deformation of the distribution functions, these steady states can have toroidal current densities either peaked on the magnetic axis or hollow. These two kinds of equilibria may be regarded as a bifurcation in connection with symmetry properties of the distribution functions on the magnetic axis.

  18. Low-aspect-ratio toroidal equilibria of electron clouds

    International Nuclear Information System (INIS)

    Toroidal electron clouds with a low aspect ratio (as small as 1.3) and lasting for thousands of poloidal rotation periods have been formed in the laboratory. Characteristic toroidal effects like a large inward shift of the minor axis of equipotential contours, elliptical and triangular deformations, etc., have been observed experimentally for the first time. The results of new analytic and numerical investigations of low-aspect-ratio electron cloud equilibria, which reproduce many of the observed features, are also presented

  19. What are the equilibria in linear public-good experiments?

    OpenAIRE

    Wolff, Irenaeus

    2016-01-01

    Most social-preference models have been tailored to yield only a full-defection equilibrium in one-shot linear public-good situations. This paper determines the Nash-equilibrium sets that result from experiment participants’ elicited preferences. The data show that multiple equilibria are relatively frequent even in a standard three-player setting. In this perspective, the common finding of close-toomnilateral defection at the end of repeated public-good games is surprising and raises the que...

  20. Magnetic coordinates for equilibria with a continuous symmetry

    International Nuclear Information System (INIS)

    Magnetic coordinates for hydromagnetic equilibria are defined which treat toroidal and straight helical plasmas equivalently yet exploit the existence of a continuous symmetry to derive relations between various geometrical and physical quantities. This allows the number of equilibrium quantities which must be known to be reduced to a minimal, or primitive set. Practical formulae for various quantities required in hydromagnetic stability calculations (interchange, ballooning, and global) are given in terms of this primitive set

  1. Exchange Equilibria on the Surface of Ionic Crystals

    International Nuclear Information System (INIS)

    New experimental data obtained by tracer techniques are presented and discussed. The number of exchanging cations and anions per unit area on the surface of BaSO4 and SrSO4 was measured for equivalent particles, cationic particles and anionic particles. Equivalent particles obtained by washing the precipitates thoroughly with water showed constant ratios of exchanging cations and anions per unit area of the surface. For cationic particles and anionic particles obtained by treatmeni of the precipitates with solutions containing barium ions or sulphate ions respectively, the ratio of the numbers of exchanging cations and anions was changed to higher values (cationic particles) or to lower values (anionic particles). From the values obtained the number of potential determining ions on the surface was determined. In the case of SrSO4 the numbers of exchanging cations and anions per unit area of the surface were measured as a function of temperature. They were found to decrease rapidly below 40°C in water solutions. This is explained by the immobilization of the water molecules on special points of the surface (in cracks for instance) proceeding gradually on approaching the freezing point. In agreement with this explanation the immobilization starts at lower temperatures for water-methanol mixtures. The exchange equilibria between different cations have been measured on the surface of the alkaline earth carbonates and sulphates and on the surface of the alkali tetraphenylborates. The equilibrium constants for these heterogeneous exchange reactions are discussed. In general these equilibria show the same trend as the solubilities. Barium ions, for instance, are enriched on the surface of strontium sulphate. The ratio of the solubilities, however, is no measure for these equilibria. The exchange equilibria on the surface of the alkaline earth sulphates show ''ideal'' behaviour; they are independent of the lattice parameters. (author)

  2. THE EQUILIBRIA OF THE SIZE STRUCTURED POPULATION MODEL

    Institute of Scientific and Technical Information of China (English)

    HUANGHaivang; LIULaifu

    2003-01-01

    In this paper the existence and stability of the positive equilibrium of the size-structured population model are proved by Rabinowitz's theorem and the local linearization method.The result here shows that near the bifurcation point where a branch of positive equilibria appears,the stability of the positive equilibrium on the branch is dcpendent on the direction of the bifurcation.The argument for the model of age-structured population is generalized in this paper.

  3. Settling the Complexity of Computing Two-Player Nash Equilibria

    OpenAIRE

    Chen, Xi; Deng, Xiaotie; Teng, Shang-Hua

    2007-01-01

    We settle a long-standing open question in algorithmic game theory. We prove that Bimatrix, the problem of finding a Nash equilibrium in a two-player game, is complete for the complexity class PPAD Polynomial Parity Argument, Directed version) introduced by Papadimitriou in 1991. This is the first of a series of results concerning the complexity of Nash equilibria. In particular, we prove the following theorems: Bimatrix does not have a fully polynomial-time approximation scheme unless every ...

  4. Beltrami–Bernoulli equilibria in plasmas with degenerate electrons

    Energy Technology Data Exchange (ETDEWEB)

    Berezhiani, V. I., E-mail: vazhab@yahoo.com [Andronikashvili Institute of Physics, TSU, Tbilisi 0177, Georgia and School of Physics, Free University of Tbilisi, Tbilisi 0131, Georgia (United States); Shatashvili, N. L., E-mail: shatash@ictp.it [Andronikashvili Institute of Physics, TSU, Tbilisi 0177, Georgia and Department of Physics, Faculty of Exact and Natural Sciences, Ivane Javakhishvili Tbilisi State University (TSU), Tbilisi 0179, Georgia (United States); Mahajan, S. M., E-mail: mahajan@mail.utexas.edu [Institute for Fusion Studies, The University of Texas at Austin, Austin, Texas 78712 (United States)

    2015-02-15

    A new class of Double Beltrami–Bernoulli equilibria, sustained by electron degeneracy pressure, is investigated. It is shown that due to electron degeneracy, a nontrivial Beltrami–Bernoulli equilibrium state is possible even for a zero temperature plasma. These states are, conceptually, studied to show the existence of new energy transformation pathways converting, for instance, the degeneracy energy into fluid kinetic energy. Such states may be of relevance to compact astrophysical objects like white dwarfs, neutron stars, etc.

  5. Beltrami-Bernoulli Equilibria in Plasmas with Degenerate Electrons

    CERN Document Server

    Berezhiani, V I; Mahajan, S M

    2014-01-01

    A new class of Double Beltrami-Bernoulli equilibria, sustained by electron degeneracy pressure, are investigated. It is shown that due to electron degeneracy, a nontrivial Beltrami-Bernoulli equilibrium state is possible even for a zero temperature plasma. These states are, conceptually, studied to show the existence of new energy transformation pathways converting, for instance, the degeneracy energy into fluid kinetic energy. Such states may be of relevance to compact astrophysical objects like white dwarfs, neutron stars etc.

  6. Experimental measurements of vapor-liquid equilibria of the H2O + CO2 + CH4 ternary system

    Science.gov (United States)

    Qin, J.; Rosenbauer, R.J.; Duan, Zhenhao

    2008-01-01

    Reported are the experimental measurements on vapor-liquid equilibria in the H2O + CO2 + CH4 ternary system at temperatures from (324 to 375) K and pressures from (10 to 50) MPa. The results indicate that the CH4 solubility in the ternary mixture is about 10 % to 40 % more than that calculated by interpolation from the Henry's law constants of the binary system, H2O + CH4, and the solubility of CO2 is 6 % to 20 % more than what is calculated by the interpolation from the Henry's law constants of the binary mixture, H 2O + CO2. ?? 2008 American Chemical Society.

  7. Long-term Nash equilibria in electricity markets

    International Nuclear Information System (INIS)

    In competitive electricity markets, companies simultaneously offer their productions to obtain the maximum profits on a daily basis. In the long run, the strategies utilized by the electric companies lead to various long-term equilibria that can be analyzed with the appropriate tools. We present a methodology to find plausible long-term Nash equilibria in pool-based electricity markets. The methodology is based on an iterative market Nash equilibrium model in which the companies can decide upon their offer strategies. An exponential smoothing of the bids submitted by the companies is applied to facilitate the convergence of the iterative procedure. In each iteration of the model the companies face residual demand curves that are accurately modeled by Hermite interpolating polynomials. We introduce the concept of meta-game equilibrium strategies to allow companies to have a range of offer strategies where several pure and mixed meta-game Nash equilibria are possible. With our model it is also possible to model uncertainty or to generate price scenarios for financial models that assess the value of a generating unit by real options analysis. The application of the proposed methodology is illustrated with several realistic case studies. (author)

  8. On the complexity of Nash dynamics and Sink Equilibria

    CERN Document Server

    Mirrokni, Vahab

    2009-01-01

    Studying Nash dynamics is an important approach for analyzing the outcome of games with repeated selfish behavior of self-interested agents. Sink equilibria has been introduced by Goemans, Mirrokni, and Vetta for studying social cost on Nash dynamics over pure strategies in games. However, they do not address the complexity of sink equilibria in these games. Recently, Fabrikant and Papadimitriou initiated the study of the complexity of Nash dynamics in two classes of games. In order to completely understand the complexity of Nash dynamics in a variety of games, we study the following three questions for various games: (i) given a state in game, can we verify if this state is in a sink equilibrium or not? (ii) given an instance of a game, can we verify if there exists any sink equilibrium other than pure Nash equilibria? and (iii) given an instance of a game, can we verify if there exists a pure Nash equilibrium (i.e, a sink equilibrium with one state)? In this paper, we almost answer all of the above question...

  9. Relative Equilibria in the Spherical, Finite Density Three-Body Problem

    Science.gov (United States)

    Scheeres, D. J.

    2016-10-01

    The relative equilibria for the spherical, finite density three-body problem are identified. Specifically, there are 28 distinct relative equilibria in this problem which include the classical five relative equilibria for the point-mass three-body problem. None of the identified relative equilibria exist or are stable over all values of angular momentum. The stability and bifurcation pathways of these relative equilibria are mapped out as the angular momentum of the system is increased. This is done under the assumption that they have equal and constant densities and that the entire system rotates about its maximum moment of inertia. The transition to finite density greatly increases the number of relative equilibria in the three-body problem and ensures that minimum energy configurations exist for all values of angular momentum.

  10. Effect of acidity on the equilibria of formation of mixed Co2+ complexes with heparin and arginine in aqueous solutions at 37°C

    Science.gov (United States)

    Feofanova, M. A.; Frantseva, Yu. V.; Semenov, A. N.; Baranova, N. V.; Zhuravlev, E. V.

    2014-02-01

    Results from studying interactions in the heparin-Co2+ ion-arginine system are presented. The constants of formation of mixed Co2+ complexes with heparin and arginine in aqueous solutions in a broad pH range at 37°C are determined potentiometrically. The chemical equilibria in the system are simulated and the stoichiometry of formation of the complex forms is determined.

  11. Stability and attractive basins of multiple equilibria in delayed two-neuron networks

    Institute of Scientific and Technical Information of China (English)

    Huang Yu-Jiao; Zhang Hua-Guang; Wang Zhan-Shan

    2012-01-01

    Multiple stability for two-dimensional delayed recurrent neural networks with piecewise linear activation functions of 2r (r ≥ 1) corner points is studied.Sufficient conditions are established for checking the existence of (2r + 1)2 equilibria in delayed recurrent neural networks.Under these conditions,(r + 1)2 equilibria are locally exponentially stable,and (2r + 1)2 - (r + 1)2 - r2 equilibria are unstable.Attractive basins of stable equilibria are estimated,which are larger than invariant sets derived by decomposing state space.One example is provided to illustrate the effectiveness of our results.

  12. Computation of thermodynamic equilibria of nuclear materials in multi-physics codes

    International Nuclear Information System (INIS)

    A new equilibrium thermodynamic solver is being developed with the primary impetus of direct integration into nuclear fuel performance and safety codes to provide improved predictions of fuel behavior. This solver is intended to provide boundary conditions and material properties for continuum transport calculations. There are several legitimate concerns with the use of existing commercial thermodynamic codes: 1) licensing entanglements associated with code distribution, 2) computational performance, and 3) limited capabilities of handling large multi-component systems of interest to the nuclear industry. The development of this solver is specifically aimed at addressing these concerns. In support of this goal, a new numerical algorithm for computing chemical equilibria is presented which is not based on the traditional steepest descent method or 'Gibbs energy minimization' technique. This new approach exploits fundamental principles of equilibrium thermodynamics, which simplifies the optimization equations. The chemical potentials of all species and phases in the system are constrained by the system chemical potentials, and the objective is to minimize the residuals of the mass balance equations. Several numerical advantages are achieved through this simplification, as described in this paper. (author)

  13. Phase Equilibria Relationships of High-Tc Superconductors

    International Nuclear Information System (INIS)

    As an integral part of a R and D program partially supported by the Electricity Delivery and Energy Reliability Office of DOE, we have determined phase equilibria data and phase diagrams for the three generations of superconductor materials: 1st generation, (Bi,Pb)-Sr-Ca- Cu-O systems; 2nd generation, Ba-R-Cu-O systems (R=lanthanides and yttrium); and 3rd generation, MgB2 systems. Our studies involved bulk materials, single crystals and thin films. This report gives a summary of our accomplishments, a list of publications, and 15 selected journal publications.

  14. Existence of Nash equilibria in sporting contests with capacity constraints

    OpenAIRE

    平井, 秀明; ヒライ, シュウメイ; HIRAI, SHUMEI

    2014-01-01

    The main purpose of this paper is to demonstrate the existence of pure-strategy Nash equilibria in an “n” team sporting contest. Since the seminal papers of Szymanski (2003, 2004) and Szymanski and Késenne (2004), the Nash equilibrium model has been used in the analysis of professional team sports. However, many papers have been restricted to a two-team league model (Chang and Sanders, 2009; Cyrenne, 2009; Dietl et al., 2009). Dietl et al. (2008) that is considered a more general n-team...

  15. Solitonlike solutions of magnetostatic equilibria: Plane-symmetric case

    CERN Document Server

    Yoshino, Hirotaka

    2008-01-01

    We present the plane-symmetric solitonlike solutions of magnetostatic equilibria by solving the nonlinear Grad-Shafranov (GS) equation numerically. The solutions have solitonlike and periodic structures in the $x$ and $y$ directions, respectively, and $z$ is the direction of plane symmetry. Although such solutions are unstable against the numerical iteration, we give the procedure to realize the sufficient convergence. Our result provides the definite answer for the existence of the solitonlike solutions that was questioned in recent years. The method developed in this paper will make it possible to study the axisymmetric solitonlike solutions of the nonlinear GS equation, which could model astrophysical jets with knotty structures.

  16. Close pairs of relative equilibria for identical point vortices

    DEFF Research Database (Denmark)

    Dirksen, Tobias; Aref, Hassan

    2011-01-01

    Numerical solution of the classical problem of relative equilibria for identical point vortices on the unbounded plane reveals configurations that are very close to the analytically known, centered, symmetrically arranged, nested equilateral triangles. New numerical solutions of this kind are found...... for 3n + 1 vortices, where n = 2, 3, ..., 30. A sufficient, although apparently not necessary, condition for this phenomenon of close solutions is that the "core" of the configuration is marginally stable, as occurs for a central vortex surrounded by an equilateral triangle. The open, regular heptagon...

  17. The Structure of the Set of Equilibria for Two Person Multicriteria Games

    NARCIS (Netherlands)

    Borm, P.E.M.; Vermeulen, D.; Voorneveld, M.

    1998-01-01

    In this paper the structure of the set of equilibria for two person multicriteria games is analysed. It turns out that the classical result for the set of equilibria for bimatrix games, that it is a finite union of polytopes, is only valid for multicriteria games if one of the players only has two p

  18. Axisymmetric equilibria with pressure anisotropy and plasma flow

    Science.gov (United States)

    Evangelias, A.; Throumoulopoulos, G. N.

    2016-04-01

    A generalised Grad-Shafranov equation that governs the equilibrium of an axisymmetric toroidal plasma with anisotropic pressure and incompressible flow of arbitrary direction is derived. This equation includes six free surface functions and recovers known Grad-Shafranov-like equations in the literature as well as the usual static, isotropic one. The form of the generalised equation indicates that pressure anisotropy and flow act additively on equilibrium. In addition, two sets of analytical solutions, an extended Solovev one with a plasma reaching the separatrix and an extended Hernegger-Maschke one for a plasma surrounded by a fixed boundary possessing an X-point, are constructed, particularly in relevance to the ITER and NSTX tokamaks. Furthermore, the impacts both of pressure anisotropy and plasma flow on these equilibria are examined. It turns out that depending on the maximum value and the shape of an anisotropy function, the anisotropy can act either paramagnetically or diamagnetically. Also, in most of the cases considered both the anisotropy and the flow have stronger effects on NSTX equilibria than on ITER ones.

  19. Giant Planet Formation: A First Classification of Isothermal Protoplanetary Equilibria

    CERN Document Server

    Pecnik, B

    2005-01-01

    We present a model for the equilibrium of solid planetary cores embedded in a gaseous nebula. From this model we are able to extract an idealized roadmap of all hydrostatic states of the isothermal protoplanets. The complete classification of the isothermal protoplanetary equilibria should improve the understanding of the general problem of giant planet formation, within the framework of the nucleated instability hypothesis. We approximate the protoplanet as a spherically symmetric, isothermal, self-gravitating classical ideal gas envelope in equilibrium, around a rigid body of given mass and density, with the gaseous envelope required to fill the Hill-sphere. Starting only with a core of given mass and an envelope gas density at the core surface, the equilibria are calculated without prescribing the total protoplanetary mass or nebula density. The static critical core masses of the protoplanets for the typical orbits of 1, 5.2, and 30 AU, around a parent star of 1 solar mass are found to be 0.1524, 0.0948, a...

  20. Self-consistent diverted tokamak equilibria with nonzero edge current

    Institute of Scientific and Technical Information of China (English)

    Shi Bing-Ren

    2012-01-01

    The semi-analytical method,previously used to construct model double-null and single-null diverted tokamak equilibria (Bingren Shi,Plasma Phys.Control Fusion 50 (2008) 085006,51 (2009) 105008,Nucl.Fusion 51 (2011) 023004),is extended to describe diverted tokamak equilibria with nonzero edge current,including the Pfirsch-Schlüter(PS) current.The PS current density is expressed in a way suitable to describe a diverted tokamak configuration in the near separatrix region.The model equilibrium is expressed by only two terms of the exact separable solutions of the GradShafranov equation,one of which is governed by a homogeneous ordinary differential equation,and the other by an inhomogeneous one.The particular merits of such a model configuration are that the internal region inside the separatrix and a suitable scrape-off layer can be simultaneously described by this exact solution.To investigate the physics in the region near the X-point,the magnetic surfaces can be satisfactorily described by approximate hyperbolic curves.

  1. Expansions of non-symmetric toroidal magnetohydrodynamic equilibria

    Science.gov (United States)

    Weitzner, Harold

    2016-06-01

    Expansions of non-symmetric toroidal ideal magnetohydrodynamic equilibria with nested flux surfaces are carried out for two cases. The first expansion is in a topological torus in three dimensions, in which physical quantities are periodic of period 2 π in y and z. Data is given on the flux surface x = 0. Despite the possibility of magnetic resonances the power series expansion can be carried to all orders in a parameter which measures the flux between x = 0 and the surface in question. Resonances are resolved by appropriate addition resonant fields, as by Weitzner, [Phys. Plasmas 21, 022515 (2014)]. The second expansion is about a circular magnetic axis in a true torus. It is also assumed that the cross section of a flux surface at constant toroidal angle is approximately circular. The expansion is in an analogous flux coordinate, and despite potential resonance singularities, may be carried to all orders. Non-analytic behavior occurs near the magnetic axis. Physical quantities have a finite number of derivatives there. The results, even though no convergence proofs are given, support the possibility of smooth, well-behaved non-symmetric toroidal equilibria.

  2. Stability of Hall equilibria in neutron star crusts

    CERN Document Server

    Marchant, Pablo; Valdivia, Juan Alejandro; Hoyos, Jaime H

    2014-01-01

    In the solid crusts of neutron stars, the advection of the magnetic field by the current-carrying electrons, an effect known as Hall drift, should play a very important role as the ions remain essentially fixed (as long as the solid does not break). Although Hall drift preserves the magnetic field energy, it has been argued that it may drive a turbulent cascade to scales at which Ohmic dissipation becomes effective, allowing a much faster decay in objects with very strong fields. On the other hand, it has been found that there are "Hall equilibria", i.e., field configurations that are unaffected by Hall drift. Here, we address the crucial question of the stability of these equilibria through axially symmetric (2D) numerical simulations of Hall drift and Ohmic diffusion, with the simplifying assumption of uniform electron density and conductivity. We demonstrate the 2D-stability of a purely poloidal equilibrium, for which Ohmic dissipation makes the field evolve towards an attractor state through adjacent stab...

  3. A chemical system that mimics decoding operations.

    Science.gov (United States)

    Giansante, Carlo; Ceroni, Paola; Venturi, Margherita; Sakamoto, Junji; Schlüter, A Dieter

    2009-02-23

    The chemical information stored in equilibrium mixtures of molecular species is larger than the sum of information carried by the individual molecules. Protonation equilibria in dilute dichloromethane solution of a shape-persistent macrocycle bearing two 2,2'-bipyridine units and two Coumarin 2 moieties (see figure) can be exploited to mimic decoding operations.

  4. Goldilocks and the three inorganic equilibria: how Earth's chemistry and life coevolve to be nearly in tune.

    Science.gov (United States)

    Rickaby, R E M

    2015-03-13

    Life and the chemical environment are united in an inescapable feedback cycle. The periodic table of the elements essential for life has transformed over Earth's history, but, as today, evolved in tune with the elements available in abundance in the environment. The most revolutionary time in life's history was the advent and proliferation of oxygenic photosynthesis which forced the environment towards a greater degree of oxidation. Consideration of three inorganic chemical equilibria throughout this gradual oxygenation prescribes a phased release of trace metals to the environment, which appear to have coevolved with employment of these new chemicals by life. Evolution towards complexity was chemically constrained, and changes in availability of notably Fe, Zn and Cu paced the systematic development of complex organisms. Evolving life repeatedly catalysed its own chemical challenges via the unwitting release of new and initially toxic chemicals. Ultimately, the harnessing of these allowed life to advance to greater complexity, though the mechanism responsible for translating novel chemistry to heritable use remains elusive. Whether a chemical acts as a poison or a nutrient lies both in the dose and in its environmental history. PMID:25666070

  5. Adsorption equilibria and kinetics for phenol and cresol onto polymeric adsorbents: Effects of adsorbents/adsorbates structure and interface

    International Nuclear Information System (INIS)

    Phenol and cresol (o-, m-, and p-) were selected as the adsorbates with different dipole moment (cresol > phenol, methyl being electron-drawing group) and solubility (phenol > cresol, methyl being hydrophobic group). Macropore polymers (NDA-1800 and XAD-4), hypercrosslinked polymers (NDA-100), and chemically modified adsorbents (NDA-150 and NDA-99), were comparatively used to investigate the adsorption properties including equilibria, thermodynamics and kinetics. First, all of the results about equilibria show that the adsorption data fit well to the Freundlich model. The adsorption capacity of NDA-99 and NDA-150 especially for phenol is larger in a certain extent than other three types of polymers. The hydrophobic interaction from large specific surface was mainly occurred, while the polar groups containing oxygen and amine markedly enhance the adsorption process via hydrogen interaction. Furthermore, the adsorption amount for NDA-99 and XAD-4 decrease linearly with the solubility of solutes tested. Then, the negative values of enthalpy demonstrate the predominantly exothermic and physical solid-extraction processes. Finally, the relatively more rapid adsorption process could be found onto NDA-150 than NDA-99, with the reason of the double larger pore size of the former. In conclusion, solubility of solute, together with surface area, pore size and modified groups, extremely exerts influences to the adsorption performances

  6. Social Interactions under Incomplete Information: Games, Equilibria, and Expectations

    Science.gov (United States)

    Yang, Chao

    My dissertation research investigates interactions of agents' behaviors through social networks when some information is not shared publicly, focusing on solutions to a series of challenging problems in empirical research, including heterogeneous expectations and multiple equilibria. The first chapter, "Social Interactions under Incomplete Information with Heterogeneous Expectations", extends the current literature in social interactions by devising econometric models and estimation tools with private information in not only the idiosyncratic shocks but also some exogenous covariates. For example, when analyzing peer effects in class performances, it was previously assumed that all control variables, including individual IQ and SAT scores, are known to the whole class, which is unrealistic. This chapter allows such exogenous variables to be private information and models agents' behaviors as outcomes of a Bayesian Nash Equilibrium in an incomplete information game. The distribution of equilibrium outcomes can be described by the equilibrium conditional expectations, which is unique when the parameters are within a reasonable range according to the contraction mapping theorem in function spaces. The equilibrium conditional expectations are heterogeneous in both exogenous characteristics and the private information, which makes estimation in this model more demanding than in previous ones. This problem is solved in a computationally efficient way by combining the quadrature method and the nested fixed point maximum likelihood estimation. In Monte Carlo experiments, if some exogenous characteristics are private information and the model is estimated under the mis-specified hypothesis that they are known to the public, estimates will be biased. Applying this model to municipal public spending in North Carolina, significant negative correlations between contiguous municipalities are found, showing free-riding effects. The Second chapter "A Tobit Model with Social

  7. Settling the Complexity of Computing Two-Player Nash Equilibria

    CERN Document Server

    Chen, Xi; Teng, Shang-Hua

    2007-01-01

    We settle a long-standing open question in algorithmic game theory. We prove that Bimatrix, the problem of finding a Nash equilibrium in a two-player game, is complete for the complexity class PPAD Polynomial Parity Argument, Directed version) introduced by Papadimitriou in 1991. This is the first of a series of results concerning the complexity of Nash equilibria. In particular, we prove the following theorems: Bimatrix does not have a fully polynomial-time approximation scheme unless every problem in PPAD is solvable in polynomial time. The smoothed complexity of the classic Lemke-Howson algorithm and, in fact, of any algorithm for Bimatrix is not polynomial unless every problem in PPAD is solvable in randomized polynomial time. Our results demonstrate that, even in the simplest form of non-cooperative games, equilibrium computation and approximation are polynomial-time equivalent to fixed point computation. Our results also have two broad complexity implications in mathematical economics and operations res...

  8. Three-dimensional magnetotail equilibria by numerical relaxation techniques

    Science.gov (United States)

    Hesse, Michael; Birn, Joachim

    1993-01-01

    Consideration is given to a numerical method to iteratively approach 3D magnetostatic force equilibria, with modeling emphasis on the development of a suitable model of the earth's magnetotail, including a portion of the inner magnetosphere, i.e., on models which violate the 'tail approximation' commonly employed in analytical models. The numerical approach is compared to methods developed for laboratory plasma physics. The method is applied to the magnetotail outside of 10 R(E), using Tsyganenko's (1987) model for the quiet magnetosphere as an initial condition. The changes of the magnetic field necessary to yield an equilibrium configuration and the resulting distribution of the self-consistently derived pressure are discussed. It is shown that a self-consistent magnetotail equilibrium based on a close approximation to Tsyganenko's requires a region 1 type current system, which is not present in the initial configuration.

  9. Analytical solutions for Tokamak equilibria with reversed toroidal current

    Energy Technology Data Exchange (ETDEWEB)

    Martins, Caroline G. L.; Roberto, M.; Braga, F. L. [Departamento de Fisica, Instituto Tecnologico de Aeronautica, Sao Jose dos Campos, Sao Paulo 12228-900 (Brazil); Caldas, I. L. [Instituto de Fisica, Universidade de Sao Paulo, 05315-970 Sao Paulo, SP (Brazil)

    2011-08-15

    In tokamaks, an advanced plasma confinement regime has been investigated with a central hollow electric current with negative density which gives rise to non-nested magnetic surfaces. We present analytical solutions for the magnetohydrodynamic equilibria of this regime in terms of non-orthogonal toroidal polar coordinates. These solutions are obtained for large aspect ratio tokamaks and they are valid for any kind of reversed hollow current density profiles. The zero order solution of the poloidal magnetic flux function describes nested toroidal magnetic surfaces with a magnetic axis displaced due to the toroidal geometry. The first order correction introduces a poloidal field asymmetry and, consequently, magnetic islands arise around the zero order surface with null poloidal magnetic flux gradient. An analytic expression for the magnetic island width is deduced in terms of the equilibrium parameters. We give examples of the equilibrium plasma profiles and islands obtained for a class of current density profile.

  10. Efficiently Finding Trends in Macroscopic MHD Stability Using Perturbed Equilibria

    Science.gov (United States)

    Comer, K. J.; Callen, J. D.; Hegna, C. C.; Turnbull, A. D.; Cowley, S. C.

    2001-10-01

    The effects of equilibrium shaping and profiles on long wavelength ideal MHD instabilities in toroidal plasmas are traditionally studied using numerical parameter scans. Previously, we introduced a new perturbative technique to explore these dependencies: assuming small equilibrium variations, new stability properties are found using a perturbation of the energy principle rather than with a traditional stability code. With this approach, stability dependencies can be efficiently examined without numerically generating complete MHD stability results for every set of parameters (which can be time-intensive for accurate representations of several configurations). Here, we briefly expand on previous successful perturbed stability analyses for screw pinch equilibria by discussing cases where the approach fails. Next, we extend the approach to toroidal geometry using the GATO and TOQ codes, and present cases that both validate the approach and suggest caution in its application.

  11. Axisymmetric equilibria of a gravitating plasma with incompressible flows

    CERN Document Server

    Throumoulopoulos, G N

    2001-01-01

    It is found that the ideal magnetohydrodynamic equilibrium of an axisymmetric gravitating magnetically confined plasma with incompressible flows is governed by a second-order elliptic differential equation for the poloidal magnetic flux function containing five flux functions coupled with a Poisson equation for the gravitation potential, and an algebraic relation for the pressure. This set of equations is amenable to analytic solutions. As an application, the magnetic-dipole static axisymmetric equilibria with vanishing poloidal plasma currents derived recently by Krasheninnikov, Catto, and Hazeltine [Phys. Rev. Lett. {\\bf 82}, 2689 (1999)] are extended to plasmas with finite poloidal currents, subject to gravitating forces from a massive body (a star or black hole) and inertial forces due to incompressible sheared flows. Explicit solutions are obtained in two regimes: (a) in the low-energy regime $\\beta_0\\approx \\gamma_0\\approx \\delta_0 \\approx\\epsilon_0\\ll 1$, where $\\beta_0$, $\\gamma_0$, $\\delta_0$, and $\\...

  12. Dynamic data evaluation for solid-liquid equilibria

    DEFF Research Database (Denmark)

    Cunico, Larissa; Ceriani, Roberta; Kang, Jeong Won;

    The accuracy and reliability of the measured data sets to be used in regression of model parameters is an important issue related to modeling of phase equilibria. It is clear that good parameters for any model cannot be obtained from low quality data. A thermodynamic consistency test for solid-liquid...... systems using a relation between the solid and liquid activity coefficients for systems containing metals [1], where the data from the two phases are given were proposed. However, as consistency tests based on the Gibbs–Duhem equation are not feasible, new consistency tests have been developed [2]. Some...... of the developed tests were based in the quality tests proposed for VLE data by Kang et al. [3] and a methodology that combines solute activity coefficients in the liquid phase at infinite dilution and a theoretically based term to account for the non-ideality in dilute solutions are discussed. In this work, case...

  13. Multiple equilibria of cross-equatorial Inertial jets

    Institute of Scientific and Technical Information of China (English)

    CHAO JiPing; LIU Fei

    2007-01-01

    Based on the developed Anderson and Moore's theory about cross-equatorial inertial jets and a nonlinear equivalence shallow water model, new universal functions are determined by the characters of the vortical large-scale air flow (atmosphere) or ocean current (ocean) related to the jet, then the potential vorticity and energy conservation equations along the streamline in the cross-equatorial inertial jets can be obtained. Because the governing equations are nonlinear, some limited multiple equilibria of cross-equatorial inertial jets may exist. According to the character of large-scale air flow or ocean current outside the jets, the existent criterion for multiple eqnilibria in cross-equatorial inertial jets is discussed, and two examples for multiple equilibia of nonlinear governing equations are given.

  14. Multiple equilibria of cross-equatorial Inertial jets

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    Based on the developed Anderson and Moore’s theory about cross-equatorial inertial jets and a nonlinear equivalence shallow water model, new universal functions are determined by the characters of the vortical large-scale air flow (atmosphere) or ocean current (ocean) related to the jet, then the potential vorticity and energy conservation equations along the streamline in the cross-equatorial in-ertial jets can be obtained. Because the governing equations are nonlinear, some limited multiple equi-libria of cross-equatorial inertial jets may exist. According to the character of large-scale air flow or ocean current outside the jets, the existent criterion for multiple eqnilibria in cross-equatorial inertial jets is discussed, and two examples for multiple equilibia of nonlinear governing equations are given.

  15. Navigable networks as Nash equilibria of navigation games

    Science.gov (United States)

    Gulyás, András; Bíró, József J.; Kőrösi, Attila; Rétvári, Gábor; Krioukov, Dmitri

    2015-07-01

    Common sense suggests that networks are not random mazes of purposeless connections, but that these connections are organized so that networks can perform their functions well. One function common to many networks is targeted transport or navigation. Here, using game theory, we show that minimalistic networks designed to maximize the navigation efficiency at minimal cost share basic structural properties with real networks. These idealistic networks are Nash equilibria of a network construction game whose purpose is to find an optimal trade-off between the network cost and navigability. We show that these skeletons are present in the Internet, metabolic, English word, US airport, Hungarian road networks, and in a structural network of the human brain. The knowledge of these skeletons allows one to identify the minimal number of edges, by altering which one can efficiently improve or paralyse navigation in the network.

  16. Complex Networks as Nash Equilibria of Navigation Games

    CERN Document Server

    Gulyás, András; Kőrösi, Attila; Rétvári, Gábor; Krioukov, Dmitri

    2014-01-01

    The common sense suggests that networks are not random mazes of purposeless connections, but that these connections are organised so that networks can perform their functions. One common function that many networks perform is targeted transport or navigation. Here with the help of game theory we show that minimalistic networks designed to maximise the navigation efficiency at minimal cost share basic structural properties of real networks. These idealistic networks are Nash equilibria of a network construction game whose purpose is to find an optimal trade-off between the network cost and navigability. They are navigation skeletons that we show are present in the Internet, {\\it E. coli} metabolic network, English word network, US airport network, and the Hungarian road network. The knowledge of these skeletons allows one to identify the minimal number of edges by altering which one can dramatically improve or paralyse the navigation in the network.

  17. Axisymmetric equilibria with pressure anisotropy and plasma flow

    CERN Document Server

    Evangelias, A

    2016-01-01

    A generalised Grad-Shafranov equation that governs the equilibrium of an axisymmetric toroidal plasma with anisotropic pressure and incompressible flow of arbitrary direction is derived. This equation includes six free surface functions and recovers known Grad-Shafranov-like equations in the literature as well as the usual static, isotropic one. The form of the generalised equation indicates that pressure anisotropy and flow act additively on equilibrium. In addition, two sets of analytical solutions, an extended Solovev one with a plasma reaching the separatrix and an extended Hernegger-Maschke one for a plasma surrounded by a fixed boundary possessing an X-point, are constructed, particularly in relevance to the ITER and NSTX tokamaks. Furthermore, the impacts both of pressure anisotropy and plasma flow on these equilibria are examined. It turns out that depending on the maximum value and the shape of an anisotropy function, the anisotropy can act either paramagnetically or diamagnetically. Also, in most of...

  18. Phase equilibria in the Ni-Co-Ga alloy system

    Energy Technology Data Exchange (ETDEWEB)

    Ducher, R. [Department of Materials Science, Graduate School of Engineering, Tohoku University, 6-6-02 Aoba-yama, Sendai 980-8579 (Japan); Kainuma, R. [Institute of Multidisciplinary Research for Advanced Materials (IMRAM), Tohoku University, 2-1-1 Katahira, Sendai 980-8577 (Japan)], E-mail: kainuma@tagen.tohoku.ac.jp; Ishida, K. [Department of Materials Science, Graduate School of Engineering, Tohoku University, 6-6-02 Aoba-yama, Sendai 980-8579 (Japan)

    2008-10-20

    Phase equilibria among the {alpha} (A1), {alpha}' (L1{sub 2}), {beta} (B2), {delta} (Ni{sub 5}Ga{sub 3}) and {epsilon} (Ni{sub 13}Ga{sub 9}) phases at elevated temperatures and the existing composition region of the martensite phase at room temperature in the Ni-Co side of the Ni-Co-Ga system were examined by electron probe microanalysis (EPMA) using diffusion triples which were fabricated by two-step diffusion coupling. It was confirmed that single-phase regions of the {alpha}, {alpha}' and {beta} phases at 700 and 1000 deg. C exist in a wide composition range parallel to Ni-Co section and that the existing region of the martensite phase at room temperature is also located over a wide range in the {beta} phase along the {beta} + {alpha} (or {alpha}') two-phase region.

  19. Radionuclide equilibria between the aquatic environment and fish tissues

    International Nuclear Information System (INIS)

    Equilibrium conditions are often assumed in dose and risk calculations based on the simple linear concentration factor model, a commonly used model in the study of contaminant flow through ecosystems. It has been argued that by using a power function model to describe radionuclide retention in fish, equilibrium may never be achieved under natural conditions, thereby violating the equilibrium requirement in the concentration factor model. Our results demonstrate uranium-series radionuclide equilibria in a natural population of common white sucker (Catostomus commersoni). Concentration factors indicated that 226Ra, 232Th, 230Th, and 228Th preferentially deposited in bone over muscle. Although 226Ra had the highest concentration in bone, 228Th yielded the highest concentration factors for water-to-bone transfer. 232Th may not be in equilibrium because of a growth dilution effect. (Copyright (c) 1997 Elsevier Science B.V., Amsterdam. All rights reserved.)

  20. Chess-Like Games May Have No Uniform Nash Equilibria Even in Mixed Strategies

    Directory of Open Access Journals (Sweden)

    Endre Boros

    2013-01-01

    Full Text Available Recently, it was shown that Chess-like games may have no uniform (subgame perfect Nash equilibria in pure positional strategies. Moreover, Nash equilibria may fail to exist already in two-person games in which all infinite plays are equivalent and ranked as the worst outcome by both players. In this paper, we extend this negative result further, providing examples that are uniform Nash equilibria free, even in mixed or independently mixed strategies. Additionally, in case of independently mixed strategies we consider two different definitions for effective payoff: the Markovian and the a priori realization.

  1. Stability transitions for axisymmetric relative equilibria of Euclidean symmetric Hamiltonian systems

    CERN Document Server

    Patrick, G W; Wulff, C

    2007-01-01

    In the presence of noncompact symmetry, the stability of relative equilibria under momentum preserving perturbations does not generally imply robust stability under momentum changing perturbations. For axisymmetric relative equilibria of Hamiltonian systems with Euclidean symmetry, we investigate different mechanisms of stability: stability by energy-momentum confinement, KAM, and Nekhoroshev stability, and we explain the transitions between these. We apply our results to the Kirchhoff model for the motion of an axisymmetric underwater vehicle, and we numerically study dissipation induced instability of KAM stable relative equilibria for this system.

  2. Phase equilibria and molecular interaction studies on (naphthols + vanillin) systems

    International Nuclear Information System (INIS)

    Highlights: ► Phase equilibria of (naphthol + vanillin) systems have been studied for the first time. ► Eutectic type phase diagrams are obtained. ► Eutectic mixtures show nonideal behaviour. ► There is a weak molecular interaction between the components in the eutectic mixtures. ► α-Naphthol–vanillin eutectic is more stable as compared to β-naphthol–vanillin. - Abstract: Phase equilibria between (α-naphthol + vanillin) and (β-naphthol + vanillin) systems have been studied by thaw-melt method and the results show the formation of simple eutectic mixtures. Crystallization velocities of components and eutectic mixtures were determined at different stages under cooling. With the help of differential scanning calorimeter (DSC), the enthalpy of fusion of components and eutectic mixtures was determined and from the values excess thermodynamic functions viz., excess Gibbs free energy (GE), excess entropy (SE), excess enthalpy (HE) of hypo-, hyper- and eutectic mixtures were calculated. Flexural strength measurements were made in order to understand the non-ideal nature of eutectics. FT-IR spectral studies indicate the formation of hydrogen bond in the eutectic mixture. Anisotropic and isotropic microstructural studies of components, hypo-, hyper- and eutectic mixtures were made. Jackson’s roughness parameter was calculated and found to be greater than 2 suggesting the faceted morphology with irregular structures. The overall results have shown that there is a weak molecular interaction between the components in the eutectic mixtures and the (α-naphthol + vanillin) eutectic is more stable as compared to the (β-naphthol + vanillin) eutectic system.

  3. Observation of equilibria with a double magnetic axis in LHD

    International Nuclear Information System (INIS)

    Plasma shape control is a major knob to investigate confinement as well as MHD characteristics of magnetically confined plasmas. LHD has a large flexibility to explore a configuration effect by using 6 independent coil systems. Elongation can be controlled by a quadrupole field. Experimental observation of moderate elongation has shown that confinement is degraded gradually in both prolate (vertically elongated) and oblate (horizontally elongated) configurations. Since the rotational transform is weaker in the core region than in the periphery in LHD, a theoretical analysis suggests that excess quadrupole field results in split of the magnetic axis. Then the internal separatrix like petals emerges. Further application of quadrupole field eventually realizes a doublet configuration with a double magnetic axis bounded by this separatrix. An analytics suggests that split of the magnetic axis starts beyond elongation κ of 1.6 in the prolate case. The role of separatrix is attracting interest in effect on confinement performance as well as physics of unstable manifold, which has motivated strong shaping experiment in LHD. Both shaping of prolate and oblate directions has been explored for NBI heated plasmas. In the strongly prolate case, the doublet image has been observed by a tangential soft X-ray camera. Available profile measurements of temperature and density have not provided the 2-dimensional profile, however, assumption of concentric surfaces with a single magnetic axis seems to contradict with experimental observations in the 1-dimensional measurements in the case with strong shaping. This suggests the existence of doublet magnetic surfaces. These complex equilibria cannot be treated by the numerical code, ex. VMEC, with an assumption of nested flux surfaces with a single magnetic axis. Characteristics of these eccentric equilibria have been investigated by the HINT code which does not assume existence of nested flux surfaces. Experimental and computational

  4. Self-consistent equilibria in cylindrical reversed-field pinch

    Energy Technology Data Exchange (ETDEWEB)

    Lo Surdo, C. [ENEA, Centro Ricerche Frascati, Rome (Italy). Dip. di Energia; Paccagnella, R.; Guo, S. [CNR, Padua (Italy). Istituto Gas Ionizzati

    1995-07-01

    The object of this work is to study the self-consistent magnetofluidstatic equilibria of a 2-region (plasma + gas) reversed-field pinch (RFP) in cylindrical approximation (namely, with vanishing inverse aspect ratio). Differently from what happens in a tokamak, in a RFP a significant part of the plasma current is driven by a dynamo electric field (DEF), in its turn mainly due to plasma turbulence. So, it is worked out a reasonable mathematical model of the above self-consistent equilibria under the following main points it has been: (a) to the lowest order, and according to a standard ansatz, the turbulent DEF say {epsilon}{sup t}, is expressed as a homogeneous transform of the magnetic field B of degree 1, {epsilon}{sup t}=({alpha}) (B), with {alpha}{identical_to}a given 2-nd rank tensor, homogeneous of degree 0 in B and generally depending on the plasma state; (b) {epsilon}{sup t} does not explicitly appear in the plasma energy balance, as it were produced by a Maxwell demon able of extract the corresponding Joule power from the plasma. In particular, it is showed that, if both {alpha} and the resistivity tensor {eta} are isotropic and constant, the magnetic field is force-free with abnormality equal to {alpha}{eta}{sub 0}/{eta}, in the limit of vanishing {beta}; that is, the well-known J.B. Taylor`result is recovered, in this particular conditions, starting from ideas quite different from the usual ones (minimization of total magnetic energy under constrained total elicity). Finally, the general problem is solved numerically under circular (besides cylindrical) symmetry, for simplicity neglecting the existence of gas region (i.e., assuming the plasma in direct contact with the external wall).

  5. Exact nonlinear analytic Vlasov-Maxwell tangential equilibria with arbitrary density and temperature profiles

    CERN Document Server

    Mottez, F

    2003-01-01

    The tangential layers are characterized by a bulk plasma velocity and a magnetic field that are perpendicular to the gradient direction. They have been extensively described in the frame of the Magneto-Hydro-Dynamic (MHD) theory. But the MHD theory does not look inside the transition region if the transition has a size of a few ion gyroradii. A series of kinetic tangential equilibria, valid for a collisionless plasma is presented. These equilibria are exact analytical solutions of the Maxwell-Vlasov equations. The particle distribution functions are sums of an infinite number of elementary functions parametrized by a vector potential. Examples of equilibria relevant to space plasmas are shown. A model for the deep and sharp density depletions observed in the auroral zone of the Earth is proposed. Tangential equilibria are also relevant for the study of planetary environments and of remote astrophysical plasmas.

  6. AGGREGATION OF NANOPARTICLES IN POLYPHASE MIXTURES — IMPACT ON PHASE EQUILIBRIA

    OpenAIRE

    Hebabcha, Mustapha; Miltgen, Morgane; Modaressi, Ali; Magri, Pierre; Ait-kaci, A.; Rogalski, Marek

    2013-01-01

    In this work we were concerned with the influence of dispersed nanoarticles (Nps) on liquid—liquid and solid—liquid phase equilibria. The cryoscopic depression due to the presence of Nps of silver (d

  7. New investigation of phase equilibria in the system Al–Cu–Si

    OpenAIRE

    Ponweiser, Norbert; Richter, Klaus W.

    2012-01-01

    The phase equilibria and invariant reactions in the system Al–Cu–Si were investigated by a combination of optical microscopy, powder X-ray diffraction (XRD), differential thermal analysis (DTA) and electron probe micro analysis (EPMA). Isothermal phase equilibria were investigated within two isothermal sections. The isothermal section at 500 °C covers the whole ternary composition range and largely confirms the findings of previous phase diagram investigations. The isothermal section at 700 °...

  8. On the Equilibria of the Extended Nematic Polymers under Elongational Flow

    Directory of Open Access Journals (Sweden)

    Hong Zhou

    2007-01-01

    Full Text Available We classify the equilibrium solutions of the Smoluchowski equation for dipolar (extended rigid nematic polymers under imposed elongational flow. The Smoluchowski equation couples the Maier-Saupe short-range interaction, dipole-dipole interaction, and an external elongational flow. We show that all stable equilibria of rigid, dipolar rod dispersions under imposed uniaxial elongational flow field are axisymmetric. This finding of axisymmetry significantly simplifies any procedure of obtaining experimentally observable equilibria.

  9. Multiple Equilibria and Interfirm Macro-Externality: An Analysis of Sluggish Real Adjustment

    OpenAIRE

    Yew-Kwang Ng; Ying Wu

    2004-01-01

    In an imperfectly competitive economy, a continuum of equilibria at the firm level exists under certain analytical conditions (Ng 1986). Extending the earlier analysis of a representative firm, this paper shows that even if the condition for a continuum of equilibria is not exactly satisfied, the factors of price-adjustment costs, interfirm heterogeneity, and macro-externality can cause the economy to be stuck at the quasi macroequilibria after aggregate demand experiences a contractionary sh...

  10. The Structure of the Set of Equilibria for Two Person Multicriteria Games

    OpenAIRE

    Borm, P.E.M.; Vermeulen, D.; Voorneveld, M.

    1998-01-01

    In this paper the structure of the set of equilibria for two person multicriteria games is analysed. It turns out that the classical result for the set of equilibria for bimatrix games, that it is a finite union of polytopes, is only valid for multicriteria games if one of the players only has two pure strategies. A full polyhedral description of these polytopes can be derived when the player with an arbitrary number of pure strategies has one criterion.

  11. Durability of cement-based materials: modeling of the influence of physical and chemical equilibria on the microstructure and the residual mechanical properties; Durabilite des materiaux cimentaires: modelisation de l'influence des equilibres physico-chimiques sur la microstructure et les proprietes mecaniques residuelles

    Energy Technology Data Exchange (ETDEWEB)

    Guillon, E

    2004-09-15

    A large part of mechanical and durability characteristics of cement-based materials comes from the performances of the hydrated cement, cohesive matrix surrounding the granular skeleton. Experimental studies, in situ or in laboratory, associated to models, have notably enhanced knowledge on the cement material and led to adapted formulations to specific applications or particularly aggressive environments. Nevertheless, these models, developed for precise cases, do not permit to specifically conclude for other experimental conclusions. To extend its applicability domain, we propose a new evolutive approach, based on reactive transport expressed at the microstructure scale of the cement. In a general point of view, the evolution of the solid compounds of the cement matrix, by dissolutions or precipitations, during chemical aggressions can be related to the pore solution evolution, and this one relied to the ionic exchanges with the external environment. By the utilization of a geochemical code associated to a thermodynamical database and coupled to a 3D transport model, this approach authorizes the study of all aggressive solution. The approach has been validated by the comparison of experimental observations to simulated degradations for three different environments (pure water, mineralized water, seawater) and on three different materials (CEM I Portland cement with 0.25, 0.4 and 0.5 water-to cement ratio). The microstructural approach permits also to have access to mechanical properties evolutions. During chemical aggressions, the cement matrix evolution is traduced in a microstructure evolution. This one is represented from 3D images similarly to the models developed at NIST (National Institute of Standards and Technology). A new finite-element model, validated on previous tests or models, evaluates the stiffness of the cement paste, using as a mesh these microstructures. Our approach identifies and quantifies the major influence of porosity and its spatial

  12. Dynamical Behaviors of Multiple Equilibria in Competitive Neural Networks With Discontinuous Nonmonotonic Piecewise Linear Activation Functions.

    Science.gov (United States)

    Nie, Xiaobing; Zheng, Wei Xing

    2016-03-01

    This paper addresses the problem of coexistence and dynamical behaviors of multiple equilibria for competitive neural networks. First, a general class of discontinuous nonmonotonic piecewise linear activation functions is introduced for competitive neural networks. Then based on the fixed point theorem and theory of strict diagonal dominance matrix, it is shown that under some conditions, such n -neuron competitive neural networks can have 5(n) equilibria, among which 3(n) equilibria are locally stable and the others are unstable. More importantly, it is revealed that the neural networks with the discontinuous activation functions introduced in this paper can have both more total equilibria and locally stable equilibria than the ones with other activation functions, such as the continuous Mexican-hat-type activation function and discontinuous two-level activation function. Furthermore, the 3(n) locally stable equilibria given in this paper are located in not only saturated regions, but also unsaturated regions, which is different from the existing results on multistability of neural networks with multiple level activation functions. A simulation example is provided to illustrate and validate the theoretical findings.

  13. Equilibria of idealized confined astral microtubules and coupled spindle poles.

    Directory of Open Access Journals (Sweden)

    Ivan V Maly

    Full Text Available Positioning of the mitotic spindle through the interaction of astral microtubules with the cell boundary often determines whether the cell division will be symmetric or asymmetric. This process plays a crucial role in development. In this paper, a numerical model is presented that deals with the force exerted on the spindle by astral microtubules that are bent by virtue of their confinement within the cell boundary. It is found that depending on parameters, the symmetric position of the spindle can be stable or unstable. Asymmetric stable equilibria also exist, and two or more stable positions can exist simultaneously. The theory poses new types of questions for experimental research. Regarding the cases of symmetric spindle positioning, it is necessary to ask whether the microtubule parameters are controlled by the cell so that the bending mechanics favors symmetry. If they are not, then it is necessary to ask what forces external to the microtubule cytoskeleton counteract the bending effects sufficiently to actively establish symmetry. Conversely, regarding the cases with asymmetry, it is now necessary to investigate whether the cell controls the microtubule parameters so that the bending favors asymmetry apart from any forces that are external to the microtubule cytoskeleton.

  14. Ion-exchange equilibria and diffusion in engineered backfill

    International Nuclear Information System (INIS)

    Engineered backfill can add confidence to confinement times of high-level nuclear waste stored in geologic media. This paper discusses the design and operation of a unique radial-flow diffusion cell to determine ion migration rates in backfill material under realistic repository conditions. New experimental results were reported for diffusion of CsCl in a background of NaCl into compacted bentonite and bentonite/quartz mixtures. Representation of the measured diffusion rates by the traditional, homogeneous porous-medium model significantly underestimates cesium penetration distances into the backfill. Surface diffusion is suggested as an additional mechanism by which cations transport in swollen montmorillonite; the surface diffusion coefficients for cesium is determined to be approximately 10-7 cm2/s. An electrostatic site-binding model is developed for ion-exchange equilibria on montmorillonite clay. The effect of pH, ionic strength, and specific adsorption are evaluated and compared favorably to new, experimental exchange isotherms measured on disaggregated clay. The electrostatic site-binding model permits a prediction of the influence of backfill compaction on K/sub d/ values. We find that for strongly adsorbing cations, compactions has little effect. However, anions exhibit significant Donnan exclusion with clay compaction. 40 references, 12 figures

  15. On the stability of MHD equilibria with flow

    Science.gov (United States)

    Andreussi, Tommaso; Morrison, Philip J.; Pegoraro, Francesco

    2012-03-01

    Three kinds of energy principles arising from the Hamiltonian structure of the (MHD) equations are used to determine sufficient stability conditions. The Lagrangian energy principle of Ref.[1] is presented and the stability conditions for symmetric and non-symmetric perturbations are introduced. Exploiting the noncanonical Hamiltonian formulation of MHD [2] plasma flows are analyzed in terms of Eulerian variables. An energy principle in Eulerian form is deduced for equilibria with a geometric symmetry and sufficient conditions for stability are obtained by expanding a functional F composed of the sum of the Eulerian energy plus Casimir invariants to second order. Next, an energy principle based on dynamically accessible variations [3] that preserve the invariants of the system explicitly is considered. Dynamically accessible variations do not rely on any symmetry and thus give general criteria for stability. Finally, the conditions obtained from the three different approaches are compared and implications about nonlinear stability are discussed.[4pt] [1] E.A. Frieman and M. Rotenberg, Rev. Mod. Phys., 32 898 (1960).[0pt] [2] P.J. Morrison and J.M. Greene, Phys. Rev. Lett., 45 790 (1980).[0pt] [3] P.J. Morrison, Rev. Mod. Phys., 70 467 (1998).

  16. Phase equilibria in the Ni-Fe-Ga alloy system

    Energy Technology Data Exchange (ETDEWEB)

    Ducher, R. [Department of Materials Science, Graduate School of Engineering, Tohoku University, 6-6-02 Aoba-yama, Sendai 980-8579 (Japan); Kainuma, R. [Institute of Multidisciplinary Research for Advanced Materials (IMRAM), Tohoku University, 2-1-1 Katahira, Sendai 980-8577 (Japan)], E-mail: kainuma@tagen.tohoku.ac.jp; Ishida, K. [Department of Materials Science, Graduate School of Engineering, Tohoku University, 6-6-02 Aoba-yama, Sendai 980-8579 (Japan)

    2008-09-08

    The phase equilibria, A2/B2 and B2/L2{sub 1} (or D0{sub 3}) order-disorder transitions and martensitic transformation on the Ni-Fe side of the Ni-Fe-Ga system were examined by electron probe microanalysis (EPMA) and differential scanning calorimetric (DSC) measurement. The equilibrium compositions of interrelations mainly among the {alpha} (A2), {beta} (B2), {beta}' (L2{sub 1} or D0{sub 3}), {gamma} (A1) and {gamma}' (L1{sub 2}) phases were determined using diffusion triples which were fabricated by two-step diffusion coupling. It was confirmed that a bcc single-phase region composed of {alpha}, {beta} and {beta}' at 850-1000 deg. C exists in a wide composition range and that the critical temperature of the B2/L2{sub 1} order-disorder transformation in the Fe{sub 3}Ga-Ni{sub 3}Ga pseudo-binary section gradually increases with increasing Ni content. The existing composition region of the martensite phase at room temperature was also determined by the diffusion triple method.

  17. On the steady states of weakly reversible chemical reaction networks

    OpenAIRE

    Deng, Jian; Jones, Christopher; Feinberg, Martin; Nachman, Adrian

    2011-01-01

    A natural condition on the structure of the underlying chemical reaction network, namely weak reversibility, is shown to guarantee the existence of an equilibrium (steady state) in each positive stoichiometric compatibility class for the associated mass-action system. Furthermore, an index formula is given for the set of equilibria in a given stoichiometric compatibility class.

  18. MHD Stability Trends from Perturbed Equilibria: Possible Limitations with Toroidal Geometry

    Science.gov (United States)

    Comer, K. J.; Callen, J. D.; Hegna, C. C.; Turnbull, A. D.; Cowley, S.

    2003-10-01

    The effects of equilibrium changes on ideal MHD properties are usually studied using numerical parameter scans. Previously, we introduced a new technique to explore these dependencies: changes in the potential energy δ W due to equilibrium changes are found with an expansion of the energy principle, rather than an eigenvalue-solver code. Validation of the approach in toroidal geometry attempted to use GATO (an ideal MHD stability code) and DIII-D shot 87009. The approach should succeed with the global modes of 87009; however, ˜ 0.1% changes to qo predicted δ W rapidly increasing. Perturbing β of other toroidal equilibria resulted in similar behavior. We first review results for a cylindrical equilibrium and for 87009. Between the cylindrical case and 87009 lie several other equilibria, which should produce intermediate results. We examine several of these intermediate equilibria, starting with the cylindrical case and changing aspect ratio, shape and profiles until ending at 87009.

  19. Calculation of Binary Adsorption Equilibria: Hydrocarbons and Carbon Dioxide on Activated Carbon

    DEFF Research Database (Denmark)

    Marcussen, Lis; Krøll, A.

    1999-01-01

    Binary adsorption equilibria are calculated by means of a mathematical model for multicomponent mixtures combined with the SPD (Spreading Pressure Dependent) model for calculation of activity coefficients in the adsorbed phase. The model has been applied successfully for the adsorption of binary ...... mixtures of hydrocarbons and carbon dioxide on activated carbons. The model parameters have been determined, and the model has proven to be suited for prediction of adsorption equilibria in the investigated systems.......Binary adsorption equilibria are calculated by means of a mathematical model for multicomponent mixtures combined with the SPD (Spreading Pressure Dependent) model for calculation of activity coefficients in the adsorbed phase. The model has been applied successfully for the adsorption of binary...

  20. Lagrangian relative equilibria for a gyrostat in the three-body problem: bifurcations and stability

    Energy Technology Data Exchange (ETDEWEB)

    Guirao, Juan L G; Vera, Juan A, E-mail: juan.garcia@upct.e, E-mail: juanantonio.vera@upct.e [Departamento de Matematica Aplicada y EstadIstica, Universidad Politecnica de Cartagena, Hospital de Marina, 30203 Cartagena, Region de Murcia (Spain)

    2010-05-14

    In this paper we consider the non-canonical Hamiltonian dynamics of a gyrostat in the frame of the three-body problem. Using geometric/mechanic methods we study the approximate dynamics of the truncated Legendre series representation of the potential of an arbitrary order. Working in the reduced problem, we study the existence of relative equilibria that we refer to as Lagrange type following the analogy with the standard techniques. We provide necessary and sufficient conditions for the linear stability of Lagrangian relative equilibria if the gyrostat morphology form is close to a sphere. Thus, we generalize the classical results on equilibria of the three-body problem and many results on them obtained by the classic approach for the case of rigid bodies.

  1. A note on relative equilibria in a rotating shallow water layer

    KAUST Repository

    Ait Abderrahmane, Hamid

    2013-05-08

    Relative equilibria of two and three satellite vortices in a rotating shallow water layer have been recorded via particle image velocimetry (PIV) and their autorotation speed was estimated. This study shows that these equilibria retain the fundamental characteristics of Kelvin\\'s equilibria, and could be adequately described by the classical idealized point vortex theory. The same conclusion can also be inferred using the experimental dataset of Bergmann et al. (J. Fluid Mech., vol. 679, 2011, pp. 415-431; J. Fluid Mech., vol. 691, 2012, pp. 605-606) if the assigned field\\'s contribution to pattern rotation is included. © 2013 Cambridge University Press.

  2. Development and testing of a new apparatus for the measurement of high-pressure low-temperature phase equilibria

    DEFF Research Database (Denmark)

    Fonseca, José M.S.; von Solms, Nicolas

    2012-01-01

    A new apparatus for the study of high-pressure phase equilibria at low temperatures using an analytical method was designed, assembled and tested. The apparatus was specially developed for the study of multi-phase equilibria in systems containing hydrocarbons, water and hydrate inhibitors, at tem...

  3. Structural Stability of Boundary Equilibria in a class of hybrid systems : Analysis and Use for Control System Design

    NARCIS (Netherlands)

    Bernardo, Mario di; Camlibel, Kanat

    2005-01-01

    This paper is concerned with the structural stability of boundary equilibria in a class of hybrid systems, that of piecewise linear continuous systems. Specifically, we study the structural stability under parameter variations of equilibria lying on discontinuity boundaries in phase space dividing r

  4. Phase Equilibria for extraction processes with designer solvents

    OpenAIRE

    Lago García de Dios, Sara

    2013-01-01

    In recent years, there has been an increasing concern about the effects of toxic chemicals in the environment. In response to this concern, there is a growing impetus to develop chemical manufacturing processes which can reduce or eliminate the use or generation of hazardous substances. Within this aspect of green chemistry, in this Thesis, Ionic Liquids (ILs) and Deep Eutectic Solvents (DESs) have been tested as greener alternatives in different chemical processes. In a ...

  5. Exotic equilibria of Harary graphs and a new minimum degree lower bound for synchronization

    Energy Technology Data Exchange (ETDEWEB)

    Canale, Eduardo A., E-mail: ecanale@pol.una.py [Facultad Politénica, UNA, Asunción (Paraguay); Monzón, Pablo, E-mail: monzon@fing.edu.uy [School of Engineering, UDELAR, Montevideo 11300 (Uruguay)

    2015-02-15

    This work is concerned with stability of equilibria in the homogeneous (equal frequencies) Kuramoto model of weakly coupled oscillators. In 2012 [R. Taylor, J. Phys. A: Math. Theor. 45, 1–15 (2012)], a sufficient condition for almost global synchronization was found in terms of the minimum degree–order ratio of the graph. In this work, a new lower bound for this ratio is given. The improvement is achieved by a concrete infinite sequence of regular graphs. Besides, non standard unstable equilibria of the graphs studied in Wiley et al. [Chaos 16, 015103 (2006)] are shown to exist as conjectured in that work.

  6. Existence of three-dimensional ideal-magnetohydrodynamic equilibria with current sheets

    Energy Technology Data Exchange (ETDEWEB)

    Loizu, J. [Max-Planck-Institut für Plasmaphysik, D-17491 Greifswald (Germany); Princeton Plasma Physics Laboratory, PO Box 451, Princeton, New Jersey 08543 (United States); Hudson, S. R.; Bhattacharjee, A.; Lazerson, S. [Princeton Plasma Physics Laboratory, PO Box 451, Princeton, New Jersey 08543 (United States); Helander, P. [Max-Planck-Institut für Plasmaphysik, D-17491 Greifswald (Germany)

    2015-09-15

    We consider the linear and nonlinear ideal plasma response to a boundary perturbation in a screw pinch. We demonstrate that three-dimensional, ideal-MHD equilibria with continuously nested flux-surfaces and with discontinuous rotational-transform across the resonant rational-surfaces are well defined and can be computed both perturbatively and using fully nonlinear equilibrium calculations. This rescues the possibility of constructing MHD equilibria with current sheets and continuous, smooth pressure profiles. The results predict that, even if the plasma acts as a perfectly conducting fluid, a resonant magnetic perturbation can penetrate all the way into the center of a tokamak without being shielded at the resonant surface.

  7. Exotic equilibria of Harary graphs and a new minimum degree lower bound for synchronization

    KAUST Repository

    Canale, Eduardo A.

    2015-02-01

    © 2015 AIP Publishing LLC. This work is concerned with stability of equilibria in the homogeneous (equal frequencies) Kuramoto model of weakly coupled oscillators. In 2012 [R. Taylor, J. Phys. A: Math. Theor. 45, 1-15 (2012)], a sufficient condition for almost global synchronization was found in terms of the minimum degree-order ratio of the graph. In this work, a new lower bound for this ratio is given. The improvement is achieved by a concrete infinite sequence of regular graphs. Besides, non standard unstable equilibria of the graphs studied in Wiley et al. [Chaos 16, 015103 (2006)] are shown to exist as conjectured in that work.

  8. A dynamical view of different solution paradigms in two-person symmetric games: Nash vs co-action equilibria

    CERN Document Server

    Sasidevan, V

    2015-01-01

    The study of games and their equilibria is central to developing insights for understanding many socio-economic phenomena. Here we present a dynamical systems view of the equilibria of two-person, payoff-symmetric games. In particular, using this perspective, we discuss the differences between two solution concepts for such games - namely, those of Nash equilibrium and co-action equilibrium. For the Nash equilibrium, we show that the dynamical view can provide an equilibrium refinement, selecting one equilibrium among several possibilities, thereby solving the issue of multiple equilibria that appear in some games. We illustrate in detail this dynamical perspective by considering three well known 2-person games namely the Prisoner's Dilemma, game of Chicken and the Stag-Hunt. We find that in all of these cases, co-action equilibria tends to correspond to `nicer' strategies than those corresponding to Nash equilibria.

  9. Studies of the chemical equilibria in the solvent extraction of uranium

    International Nuclear Information System (INIS)

    Uranium was extracted with amines dissolved in diluents. Using alamine 336 as an extractant, dodecane as a diluent, and n-octanol as an additive for third phase inhibition, UO2++ extraction from H2SO4-Na2SO4 aqueous solutions was studied. When the extraction coefficient of uranium was plotted as a function of the initial Na2SO4 concentration at a constant sulfuric acid concentration, the typical initial spike type extraction curve was obtained in this case too. Thus, at low Na2SO4 concentrations, a reaction such as UO2SO4 + 2 (AlamineH)2SO4 reversible (AlamineH)4UO2(SO4)3...(1) is believed to take place, while at high Na2SO4 concentrations reaction (2) is thought to be occurring. UO2(SO4)34- + 2(R3NH)2SO4 reversible (R3NH)4UO2(SO4)3 = 2SO4-2...(2). The same result obtained with Na2SO4 as with H2SO4 is explained by the action of sulfate ions

  10. Calculating chemical equilibria in the heparin-Co2+ ion-glycine system

    Science.gov (United States)

    Feofanova, M. A.; Frantseva, Yu. V.; Zhuravlev, E. V.; Ryasensky, S. S.; Baranova, N. V.

    2013-08-01

    Results from investigating interactions in the heparin-Co2+ ion-glycine system are presented. The stoichiometry of cobalt complexes with heparin and glycine compositions CoOHHtpGly4- and CoHepGly3- is established.

  11. Reaction from Dimethyl Carbonate to Diphenyl Carbonate. 1. Experimental Determination of the Chemical Equilibria

    NARCIS (Netherlands)

    Haubrock, J.; Raspe, M.; Versteeg, G.F.; Kooijman, H.A.; Taylor, R.; Hogendoorn, J.A.

    2008-01-01

    New experimental equilibrium data of the reaction of dimethyl carbonate (DMC) and phenol to methyl phenyl carbonate (MPC) and the subsequent disproportion and transesterification reaction of MPC to diphenyl carbonate (DPC) are presented and interpreted in terms of the reaction equilibrium coefficien

  12. Thermodynamically predicted oscillations in closed chemical systems

    CERN Document Server

    Zilbergleyt, B

    2010-01-01

    All known up to now models of chemical oscillations are based exclusively on kinetic considerations. The chemical gross-process equation is split usually by elementary steps, each step is supplied by an arrow and a differential equation, joint solution to such a construction under certain, often ad hoc chosen conditions and with ad hoc numerical coefficients leads to chemical oscillations. Kinetic perception of chemical oscillations reigns without exclusions. However, as it was recently shown by the author for the laser and for the electrochemical systems, chemical oscillations follow also from solutions to the basic expressions of discrete thermodynamics of chemical equilibria. Graphically those solutions are various fork bifurcation diagrams, and, in certain types of chemical systems, oscillations are well pronounced in the bistable bifurcation areas. In this work we describe a general thermodynamic approach to chemical oscillations as opposite to kinetic models, and depict some of their new features like s...

  13. Transport and Phase Equilibria Properties for Steam Flooding of Heavy Oils

    Energy Technology Data Exchange (ETDEWEB)

    Gabitto, Jorge; Barrufet, Maria

    2001-12-18

    The objectives of this research included experimental determination and rigorous modeling and computation of phase equilibria, volumetric, and transport properties of hydrocarbon/CO2/water mixtures at pressures and temperatures typical of steam injection processes for thermal recovery of heavy oils.

  14. The Representation of Highly Non-Ideal Phase Equilibria Using Computer Graphics.

    Science.gov (United States)

    Charos, Georgios N.; And Others

    1986-01-01

    Previous work focused on use of computer graphics in teaching thermodynamic phase equilibria for classes I and II. Extends this work to include the considerably more non-ideal phase behavior shown by classes III, IV, and V. Student and instructor response has been overwhelmingly positive about the approach. (JN)

  15. Vapor-Liquid Equilibria Using the Gibbs Energy and the Common Tangent Plane Criterion

    Science.gov (United States)

    Olaya, Maria del Mar; Reyes-Labarta, Juan A.; Serrano, Maria Dolores; Marcilla, Antonio

    2010-01-01

    Phase thermodynamics is often perceived as a difficult subject with which many students never become fully comfortable. The Gibbsian geometrical framework can help students to gain a better understanding of phase equilibria. An exercise to interpret the vapor-liquid equilibrium of a binary azeotropic mixture, using the equilibrium condition based…

  16. Multiple equilibria, soil conservation investments and the resilience of agricultural systems

    NARCIS (Netherlands)

    Antle, J.M.; Stoorvogel, J.J.; Valdivia, R.O.

    2006-01-01

    This paper provides a new explanation for the persistent land degradation in some parts of the world, despite the availability of seemingly effective soil conservation technologies.We demonstrate that soil conservation technologies may induce agricultural systems to exhibit equilibria characterized

  17. Control algorithms along relative equilibria of underactuated Lagrangian systems on Lie groups

    DEFF Research Database (Denmark)

    Nordkvist, Nikolaj; Bullo, Francesco

    2007-01-01

    We present novel algorithms to control underactuated mechanical systems. For a class of invariant systems on Lie groups, we design iterative small-amplitude control forces to accelerate along, decelerate along, and stabilize relative equilibria. The technical approach is based upon a perturbation...

  18. Control Algorithms Along Relative Equilibria of Underactuated Lagrangian Systems on Lie Groups

    DEFF Research Database (Denmark)

    Nordkvist, Nikolaj; Bullo, F.

    2008-01-01

    We present novel algorithms to control underactuated mechanical systems. For a class of invariant systems on Lie groups, we design iterative small-amplitude control forces to accelerate along, decelerate along, and stabilize relative equilibria. The technical approach is based upon a perturbation...

  19. Synthetic methods in phase equilibria: A new apparatus and error analysis of the method

    DEFF Research Database (Denmark)

    Fonseca, José; von Solms, Nicolas

    2014-01-01

    A new apparatus for the study of high-pressure phase equilibria using a synthetic method is described. The apparatus was especially developed for the study of solubilities of gases in condensed phases, at temperatures ranging from 243 K to 353 K and pressures up to 20 MPa. The quality of the equi...

  20. Liquid-liquid equilibria for binary and ternary polymer solutions with PC-SAFT

    DEFF Research Database (Denmark)

    Lindvig, Thomas; Michelsen, Michael Locht; Kontogeorgis, Georgios

    2004-01-01

    Two algorithms for evaluating liquid-liquid equilibria (LLE) for binary and ternary polymer solutions are presented. The binary algorithm provides the temperature versus concentration cloud-point curve at fixed pressure, whereas the ternary algorithm provides component 1 versus component 2...... accuracy, even by using interaction parameters obtained from binary vapor-liquid equlibrium data....

  1. Analysis of statistical thermodynamic model for binary protein adsorption equilibria on cation exchange adsorbent

    Institute of Scientific and Technical Information of China (English)

    ZHOU Xiaopeng; SU Xueli; SUN Yan

    2007-01-01

    A study of nonlinear competitive adsorption equilibria of proteins is of fundamental importance in understanding the behavior of preparative chromatographic separation.This work describes the nonlinear binary protein adsorption equilibria on ion exchangers by the statistical thermodynamic (ST) model.The single-component and binary protein adsorption isotherms of bovine hemoglobin (Hb) and bovine serum albumin(BSA)on SP Sepharose FF were determined by batch adsorption experiments in 0.05 mol/L sodium acetate buffer at three pH values(4.5,5.0 and 5.5)and three NaCl concentrations(0.05,0.10 and 0.15 mol/L)at pH 5.0.The ST model was found to depict the effects of pH and ionic strength on the single-component equilibria well,with model parameters depending on the pH and ionic strength.Moreover,the ST model gave acceptable fitting to the binary adsorption data with the fltted singlecomponent model parameters,leading to the estimation of the binary ST model parameter.The effects of pH and ionic strength on the model parameters are reasonably interpreted by the electrostatic and thermodynamic theories.Results demonstrate the availability of the ST model for describing nonlinear competitive protein adsorption equilibria in the presence of two proteins.

  2. Peeling-Ballooning Mode Analysis in Shifted-Circle Tokamak Equilibria

    Science.gov (United States)

    Burke, B.; Kruger, S. E.; Hegna, C. C.; Snyder, P. B.; Sovinec, C. R.; Zhu, P.

    2009-11-01

    Progress in understanding edge localized modes (ELMs) has been made by investigating the stability properties of edge localized peeling-ballooning modes. We focus on the evolution of ideal MHD modes over a large spectrum in two shifted-circle tokamak equilibria, using the extended-MHD code NIMROD. The TOQ-generated equilibria model a H-mode plasma with a pedestal pressure profile and parallel edge currents. A vacuum region is prescribed by a resistivity profile that transitions from a small to very large value at a specified location. The vacuum model is benchmarked against the linear ideal MHD codes ELITE & GATO. We demonstrate vacuum effects on the stability by adjusting the vacuum location relative to the pedestal pressure region. Ballooning-like instabilities dominate distant vacuum cases, whereas peeling mode physics is expected to dominate as the vacuum approaches the pedestal. Numerical simulations of the early nonlinear stages of edge localized MHD instabilities are presented. Comparisons between equilibria that have ``ballooning'' dominated instabilities relative to equilibria that are ``peeling'' dominated are made.

  3. Coalition Formation under Uncertainty: Bargaining Equilibria and the Bayesian Core Stability Concept

    NARCIS (Netherlands)

    Chalkiadakis, G.; Markakis, V.; Boutillier, C.; Durfee, E.H.; Yokoo, M.; Huhns, M.N.

    2007-01-01

    Coalition formation is a problem of great interest in AI, allowing groups of autonomous, rational agents to form stable teams. Fur- thermore, the study of coalitional stability concepts and their re- lation to equilibria that guide the strategic interactions of agents during bargaining has lately at

  4. Dynamics of parabolic equations via the finite element method I. Continuity of the set of equilibria

    Science.gov (United States)

    Figueroa-López, R. N.; Lozada-Cruz, G.

    2016-11-01

    In this paper we study the dynamics of parabolic semilinear differential equations with homogeneous Dirichlet boundary conditions via the discretization of finite element method. We provide an appropriate functional setting to treat this problem and, as a first step, we show the continuity of the set of equilibria and of its linear unstable manifolds.

  5. Prediction of Pure Component Adsorption Equilibria Using an Adsorption Isotherm Equation Based on Vacancy Solution Theory

    DEFF Research Database (Denmark)

    Marcussen, Lis; Aasberg-Petersen, K.; Krøll, Annette Elisabeth

    2000-01-01

    An adsorption isotherm equation for nonideal pure component adsorption based on vacancy solution theory and the Non-Random-Two-Liquid (NRTL) equation is found to be useful for predicting pure component adsorption equilibria at a variety of conditions. The isotherm equation is evaluated successfully...... adsorption systems, spreading pressure and isosteric heat of adsorption are also calculated....

  6. Equilibria of the three-body problem with rigid dumb-bell satellite

    Energy Technology Data Exchange (ETDEWEB)

    Elipe, A. [Grupo de Mecanica Espacial, Universidad de Zaragoza, 50009 Zaragoza (Spain); Dpto. Matematica Aplicada, Universidad de Zaragoza, 50009 Zaragoza (Spain)], E-mail: elipe@posta.unizar.es; Palacios, M. [Grupo de Mecanica Espacial, Universidad de Zaragoza, 50009 Zaragoza (Spain); Dpto. Matematica Aplicada, Universidad de Zaragoza, 50009 Zaragoza (Spain); Pretka-Ziomek, H. [Astronomical Observatory, Adam Mickiewicz University, Poznan (Poland)

    2008-03-15

    This paper is concerned with the orbital-rotational motion of an asymmetric dumb-bell (two masses with fixed distance among them) under the attraction of a central body. For this model, we find some equilibria and give sufficient conditions for their stability.

  7. Vapor-Liquid-Solid Equilibria of Sulfur Dioxide in Aqueous Electrolyte Solutions

    DEFF Research Database (Denmark)

    Pereda, Selva; Thomsen, Kaj; Rasmussen, Peter

    2000-01-01

    The Extended UNIQUAC model for electrolyte systems, combined with the Soave-Redlich-Kwong equation of state is used to describe the complex vapor-liquid-solid equilibria of sulfur dioxide in electrolyte solutions. Model parameters based on 1500 experimental data points are presented. The parameters...

  8. Degree of chemical nonequilibrium in central Au-Au collisions at RHIC energies

    Science.gov (United States)

    Tawfik, Abdel Nasser; El-Bakry, M. Y.; Habashy, D. M.; Mohamed, M. T.; Abbas, Ehab

    2015-08-01

    In this paper, we investigate the difference between hadron resonance gas (HRG) calculations for chemical freeze-out parameters at fully and partly chemical equilibria. To this end, the results are compared with the particle ratios measured in central Au-Au collisions at a wide range of nucleon-nucleon center-of-mass energies, √ {s{ NN}} = 7.7 - 200 GeV as offered by the STAR experiment. We restrict the discussion to STAR, because of large statistics and overall homogeneity of STAR measurements (one detector) against previous experiments. We find that the matter produced at these energies is likely in fully chemical equilibria, which is consistent with recent lattice quantum chromodynamics (QCD) results. The possible improvements by partial chemical equilibria (γS ≠ 1) are very limited. We also discuss these results with the ones deduced from ϕ/π- and Ω-/π- ratios. These hadron ratios are sensitive to the degree of chemical equilibrium. Accordingly, the conclusion that the matter produced reaches fully chemical equilibria in central Au-Au at relativistic heavy-ion collider (RHIC) energies is confirmed.

  9. A periodic point-based method for the analysis of Nash equilibria in 2 x 2 symmetric quantum games

    International Nuclear Information System (INIS)

    We present a novel method of looking at Nash equilibria in 2 x 2 quantum games. Our method is based on a mathematical connection between the problem of identifying Nash equilibria in game theory, and the topological problem of the periodic points in nonlinear maps. To adapt our method to the original protocol designed by Eisert et al (1999 Phys. Rev. Lett. 83 3077-80) to study quantum games, we are forced to extend the space of strategies from the initial proposal. We apply our method to the extended strategy space version of the quantum Prisoner's dilemma and find that a new set of Nash equilibria emerge in a natural way. Nash equilibria in this set are optimal as Eisert's solution of the quantum Prisoner's dilemma and include this solution as a limit case.

  10. Study on Osmotic Pressure and Liquid-Liquid Equilibria for Micelle, Colloid and Microemulsion Systems by Yukawa Potential

    Institute of Scientific and Technical Information of China (English)

    FU,Dong(付东); LU,Jiu-Fang(陆九芳); WU,Wei(吴畏); Li,Yi-Gui(李以圭)

    2004-01-01

    An equation of state (EOS) was established to study the osmotic pressure and liquid-liquid equilibria for micelle,colloid and microemulsion systems. The Carnahan-Starling equation was used for the hard sphere repulsion. The Yukawa potential was used to describe both the attractive dispersion and the double-layer repulsion. By using the established EOS, the osmotic pressures for charged colloid, uncharged micelle, uncharged and weakly charged microemuslion, the phase equilibria for uncharged micelle and charged colloid systems were studied.

  11. Phase equilibria of carbon dioxide and methane gas-hydrates predicted with the modified analytical S-L-V equation of state

    Directory of Open Access Journals (Sweden)

    Span Roland

    2012-04-01

    Full Text Available Gas-hydrates (clathrates are non-stoichiometric crystallized solutions of gas molecules in the metastable water lattice. Two or more components are associated without ordinary chemical union but through complete enclosure of gas molecules in a framework of water molecules linked together by hydrogen bonds. The clathrates are important in the following applications: the pipeline blockage in natural gas industry, potential energy source in the form of natural hydrates present in ocean bottom, and the CO2 separation and storage. In this study, we have modified an analytical solid-liquid-vapor equation of state (EoS [A. Yokozeki, Fluid Phase Equil. 222–223 (2004] to improve its ability for modeling the phase equilibria of clathrates. The EoS can predict the formation conditions for CO2- and CH4-hydrates. It will be used as an initial estimate for a more complicated hydrate model based on the fundamental EoSs for fluid phases.

  12. Ternary liquid-liquid equilibria of dimethyl carbonate + 2-propanol + water system at 303.15 and 313.15 K

    Science.gov (United States)

    Ginting, Rizqy Romadhona; Mustain, Asalil; Tetrisyanda, Rizki; Gunardi, Ignatius; Wibawa, Gede

    2015-12-01

    In this work, liquid-liquid equilibria data of dimethyl carbonate (DMC) + 2-propanol + water system were accurately determined at 303.15 and 313.15 K using stirred and jacketed equilibrium cell under atmospheric pressure. The reliabilities of the experimental data were confirmed using Bachman-Brown correlation giving r-squared value of 0.9993 and 0.9983 at 303.15 and 313.15 K, respectively. Experimental data obtained in this work exhibit Treybal's Type I ternary phase behavior. The selectivity and distribution coefficient of DMC increases with addition of DMC concentration in the organic phase. On the other hand, the effect of temperature to phase boundary was found to be not significant. The data were correlated well using the Non-Random Two Liquid (NRTL) and Universal Quasi-Chemical (UNIQUAC) activity coefficient models with root-mean-square deviation of 1.5% and 1.3%, respectively.

  13. GLOBAL ANALYSIS OF SIS EPIDEMIC MODEL WITH A SIMPLE VACCINATION AND MULTIPLE ENDEMIC EQUILIBRIA

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    An SIS epidemic model with a simple vaccination is investigated in this article.The efficiency of vaccine, the disease-related death rate and population dynamics are also considered in this model. The authors find two threshold R0 and Rc (Rc may not exist).There is a unique endemic equilibrium for R0 > 1 or Rc = R0; there are two endemic equilibria for Rc < R0 < 1; and there is no endemic equilibrium for R0 < Rc < 1. When Rc exists, there is a backward bifurcation from the disease-free equilibrium for R0 = 1.They analyze the stability of equilibria and obtain the globally dynamic behaviors of the model. The results acquired in this article show that an accurate estimation of the efficiency of vaccine is necessary to prevent and controll the spread of disease.

  14. Toward detailed prominence seismology - I. Computing accurate 2.5D magnetohydrodynamic equilibria

    CERN Document Server

    Blokland, J W S

    2011-01-01

    Context. Prominence seismology exploits our knowledge of the linear eigenoscillations for representative magnetohydro- dynamic models of filaments. To date, highly idealized models for prominences have been used, especially with respect to the overall magnetic configurations. Aims. We initiate a more systematic survey of filament wave modes, where we consider full multi-dimensional models with twisted magnetic fields representative of the surrounding magnetic flux rope. This requires the ability to compute accurate 2.5 dimensional magnetohydrodynamic equilibria that balance Lorentz forces, gravity, and pressure gradients, while containing density enhancements (static or in motion). Methods. The governing extended Grad-Shafranov equation is discussed, along with an analytic prediction for circular flux ropes for the Shafranov shift of the central magnetic axis due to gravity. Numerical equilibria are computed with a finite element-based code, demonstrating fourth order accuracy on an explicitly known, non-triv...

  15. Equilibria and stability of an electron beam confined in a torus

    International Nuclear Information System (INIS)

    Relativistic, cylindrical, rigid-rotor equilibria for electrons are developed in the beam frame, and the corresponding laboratory frame equilibria are obtained by Lorentz transformation. Limitations of the two-mass approximation are thus illuminated. A toroidal equilibrium is developed that is based on the two-mass approximation and expansion in terms of the ratio of minor to major radius. The toroidal equilibrium is shown to have no unstable kink-modes or no Kruskal--Shafranov current limit as in a Tokamak. Small variations in the toroidal magnetic field around the torus result in trapped electrons if they are injected with sufficient transverse energy. The presence of both trapped and untrapped electrons leads to two-stream instabilities. Some comparisons are made with HIPAC experiments and the recent torus experiments at MLI

  16. Rapidly convergent algorithms for 3-D tandem and stellarator equilibria in the paraxial approximation

    Energy Technology Data Exchange (ETDEWEB)

    McNamara, B.

    1984-04-01

    Tandem and stellarator equilibria at high ..beta.. have proved hard to compute and the relaxation methods of Bauer et al., Chodura and Schluter, Hirshman, Strauss, and Pearlstein et al. have been slow to converge. This paper reports an extension of the low-..beta.. analytic method of Pearlstein, Kaiser, and Newcomb to arbitrary ..beta.. for tandem mirrors which converges in 10 to 20 iterations. Extensions of the method to stellarator equilibria are proposed and are very close to the analytic method of Johnson and Greene - the stellarator expansion. Most of the results of all these calculations can be adequately described by low-..beta.. approximations since the MHD stability limits occur at low ..beta... The tandem mirror, having weak curvature and a long central cell, allows finite Larmor radius effects to eliminate most ballooning modes and offers the possibility of really high average ..beta... This is the interest in developing such three-dimensional numerical algorithms.

  17. Phase equilibria in water-(1-, 2-, iso-)butanol-18-crown-6 systems

    Science.gov (United States)

    Kovalenko, N. A.; Golovina, N. B.; Bogachev, A. G.; Uspenskaya, I. A.

    2011-09-01

    We present the results from measuring the solubility of 18-crown-6 in isobutanol in the temperature interval of 280-308 K and information about liquid-liquid equilibria in water-(1-, 2-, iso-)butanol-18-crown-6 systems at 298 K. The parameter values of the extended UNIQUAC model were determined on the basis of information about the thermodynamic properties and phase equilibria in the binary systems. It is shown that we must use parameters of ternary interaction in addition to binary parameters to adequately describe the miscibility gap on the basis of the results of turbidimetric titration in ternary water-(1-,2-, iso)butanol-18-crown-6 systems.

  18. Measurement and modeling of high-pressure (vapour + liquid) equilibria of (CO2 + alcohol) binary systems

    International Nuclear Information System (INIS)

    An apparatus based on a static-analytic method assembled in this work was utilized to perform high pressure (vapour + liquid) equilibria measurements with uncertainties estimated at 2 + 1-propanol), (CO2 + 2-methyl-1-propanol), (CO2 + 3-methyl-1-butanol), and (CO2 + 1-pentanol) binary systems at temperatures of (313, 323, and 333) K, and at pressure range of (2 to 12) MPa. For all the (CO2 + alcohol) systems, it was visually monitored to insure that there was no liquid immiscibility at the temperatures and pressures studied. The experimental results were correlated with the Peng-Robinson equation of state using the quadratic mixing rules of van der Waals with two adjustable parameters. The calculated (vapour + liquid) equilibria compositions were found to be in good agreement with the experimental values with deviations for the mol fractions <0.12 and <0.05 for the liquid and vapour phase, respectively.

  19. Ca-Rich Carbonate Melts: A Regular-Solution Model, with Applications to Carbonatite Magma + Vapor Equilibria and Carbonate Lavas on Venus

    Science.gov (United States)

    Treiman, Allan H.

    1995-01-01

    A thermochemical model of the activities of species in carbonate-rich melts would be useful in quantifying chemical equilibria between carbonatite magmas and vapors and in extrapolating liquidus equilibria to unexplored PTX. A regular-solution model of Ca-rich carbonate melts is developed here, using the fact that they are ionic liquids, and can be treated (to a first approximation) as interpenetrating regular solutions of cations and of anions. Thermochemical data on systems of alkali metal cations with carbonate and other anions are drawn from the literature; data on systems with alkaline earth (and other) cations and carbonate (and other) anions are derived here from liquidus phase equilibria. The model is validated in that all available data (at 1 kbar) are consistent with single values for the melting temperature and heat of fusion for calcite, and all liquidi are consistent with the liquids acting as regular solutions. At 1 kbar, the metastable congruent melting temperature of calcite (CaCO3) is inferred to be 1596 K, with (Delta)bar-H(sub fus)(calcite) = 31.5 +/- 1 kJ/mol. Regular solution interaction parameters (W) for Ca(2+) and alkali metal cations are in the range -3 to -12 kJ/sq mol; W for Ca(2+)-Ba(2+) is approximately -11 kJ/sq mol; W for Ca(2+)-Mg(2+) is approximately -40 kJ/sq mol, and W for Ca(2+)-La(3+) is approximately +85 kJ/sq mol. Solutions of carbonate and most anions (including OH(-), F(-), and SO4(2-)) are nearly ideal, with W between 0(ideal) and -2.5 kJ/sq mol. The interaction of carbonate and phosphate ions is strongly nonideal, which is consistent with the suggestion of carbonate-phosphate liquid immiscibility. Interaction of carbonate and sulfide ions is also nonideal and suggestive of carbonate-sulfide liquid immiscibility. Solution of H2O, for all but the most H2O-rich compositions, can be modeled as a disproportionation to hydronium (H3O(+)) and hydroxyl (OH(-)) ions with W for Ca(2+)-H3O(+) (approximately) equals 33 kJ/sq mol. The

  20. The global stability of coexisting equilibria for three models of mutualism.

    Science.gov (United States)

    Georgescu, Paul; Zhang, Hong; Maxin, Daniel

    2016-02-01

    We analyze the dynamics of three models of mutualism, establishing the global stability of coexisting equilibria by means of Lyapunov's second method. This further establishes the usefulness of certain Lyapunov functionals of an abstract nature introduced in an earlier paper. As a consequence, it is seen that the use of higher order self-limiting terms cures the shortcomings of Lotka-Volterra mutualisms, preventing unbounded growth and promoting global stability. PMID:26776263

  1. Overlapping Sets of Priors and the Existence of Efficient Allocations and Equilibria for Risk Measures

    OpenAIRE

    Dana, Rose-Anne; Le Van, Cuong

    2010-01-01

    The overlapping expectations and the collective absence of arbitrage conditions introduced in the economic literature to insure existence of Pareto optima and equilibria with short-selling when investors have a single belief about future returns, is reconsidered. Investors use measures of risk. The overlapping sets of priors and the Pareto equilibrium conditions introduced by Heath and Ku for coherent risk measures are respectively reinterpreted as a weak no-arbitrage and a weak collective ab...

  2. Equation-of-State Modeling of Phase Equilibria in Petroleum Fluids

    DEFF Research Database (Denmark)

    Jørgensen, Marianne

    1996-01-01

    The Soave-Redlich-Kwong (SRK) equation of state was used to investigate and develop several aspects of the modeling of natural petroleum fluids.A new method was presented for numerical evaluation of PVT experiments. This method was used in the estimation of binary interaction parameters. A comphr...... that exists for mixtures of CO2 and crude oils. Good results are obtained, and a tuning procedure is proposed for improved representation of the three phase equilibria....

  3. Multiple Equilibria in a Single-Column Model of the Tropical Atmosphere

    CERN Document Server

    Sobel, Adam H; Bacmeister, Julio T

    2007-01-01

    A single-column model run under the weak temperature gradient approximation, a parameterization of large-scale dynamics appropriate for the tropical atmosphere, is shown to have multiple stable equilibria. Under conditions permitting persistent deep convection, the model has a statistically steady state in which such convection occurs, as well as an extremely dry state in which convection does not occur. Which state is reached depends on the initial moisture profile.

  4. Complete classification and stability of equilibria in a delayed ring network

    Directory of Open Access Journals (Sweden)

    Shangjiang Guo

    2008-06-01

    Full Text Available In this paper, we consider a neural network model consisting of four neurons with delayed self and nearest-neighbor connections. We provide a full classification of all equilibria and their stability in the connection weighter parameter space. Such a classification is essential for the description of spatio-temporal patterns of the model system and for the applications to dynamic memory storage and retrieval.

  5. Complete classification and stability of equilibria in a delayed ring network

    OpenAIRE

    Shangjiang Guo; Xuwen Lu

    2008-01-01

    In this paper, we consider a neural network model consisting of four neurons with delayed self and nearest-neighbor connections. We provide a full classification of all equilibria and their stability in the connection weighter parameter space. Such a classification is essential for the description of spatio-temporal patterns of the model system and for the applications to dynamic memory storage and retrieval.

  6. The empirical content of models with multiple equilibria in economies with social interactions

    OpenAIRE

    Bisin, Alberto; Moro, Andrea; Topa, Giorgio

    2011-01-01

    We study a general class of models with social interactions that might display multiple equilibria. We propose an estimation procedure for these models and evaluate its efficiency and computational feasibility relative to different approaches taken to the curse of dimensionality implied by the multiplicity. Using data on smoking among teenagers, we implement the proposed estimation procedure to understand how group interactions affect health-related choices. We find that interaction effects a...

  7. An efficient and general approach for implementing thermodynamic phase equilibria information in geophysical and geodynamic studies

    OpenAIRE

    Afonso, Juan Carlos; Zlotnik, Sergio; Díez, Pedro

    2015-01-01

    We present a flexible, general, and efficient approach for implementing thermodynamic phase equilibria information (in the form of sets of physical parameters) into geophysical and geodynamic studies. The approach is based on Tensor Rank Decomposition methods, which transform the original multidimensional discrete information into a separated representation that contains significantly fewer terms, thus drastically reducing the amount of information to be stored in memory during a numerical si...

  8. NIRA-3: An improved MATLAB package for finding Nash equilibria in infinite games

    OpenAIRE

    Krawczyk, Jacek; Zuccollo, James

    2006-01-01

    A powerful method for computing Nash equilibria in constrained, multi-player games is created when the relaxation algorithm and the Nikaido-Isoda function are used together in a suite of MATLAB routines. This paper updates the MATLAB suite described in \\cite{Berridge97} by adapting them to MATLAB 7. The suite is now capable of solving both static and open-loop dynamic games. An example solving a coupled constraints game using the suite is provided.

  9. Reflexivity, Expectations Feedback and almost Self-fulfilling Equilibria: Economic Theory, Empirical Evidence and Laboratory Experiments

    OpenAIRE

    Hommes, C.

    2013-01-01

    This discussion paper led to a publication in the 'Journal of Economic Methodology' , 20(4), 2013. We discuss recent work on bounded rationality and learning in relation to Soros' principle of reflexivity and stress the empirical importance of non-rational, almost self-fulfilling equilibria in positive feedback systems. As an empirical example, we discuss a behavioral asset pricing model with heterogeneous expectations. Bubble and crash dynamics is triggered by shocks to fundamentals and ampl...

  10. Ternary (liquid + liquid) equilibria of {trifluorotris(perfluoroethyl)phosphate based ionic liquids + thiophene + heptane}: Part 2

    International Nuclear Information System (INIS)

    Highlights: • Ternary (liquid + liquid) equilibria for 3 ionic liquid + thiophene + heptane systems. • The influence of ionic liquid structure on phase diagrams is discussed. • Influence of IL structure on S and β for heptane/thiophene separation is discussed. - Abstract: Ternary (liquid + liquid) equilibria for 3 systems containing ionic liquids {(1-ethyl-3-methylimidazolium trifluorotris(perfluoroethyl)phosphate, 1-(2-hydroxyethyl)-3-methylimidazolium trifluorotris(perfluoroethyl)phosphate, ethyl-dimethyl-(2-methoxyethyl)ammonium trifluorotris(perfluoroethyl)phosphate) + thiophene + heptane} have been determined at T = 298.15 K. The selectivity and solute distribution ratio were calculated for investigated systems and compared with literature values obtained for other systems containing ionic liquids with [FAP]− anions and [emim]+ cations. In each system, high solubility of thiophene and low solubility of heptane in the ionic liquid are observed. The experimental results have been correlated using NRTL model. The influence of the structure of ionic liquid on phase equilibria, selectivity and solute distribution ratio is discussed

  11. Measurement and modeling of high-pressure (vapor + liquid) equilibria of (CO2 + alkanol) binary systems

    International Nuclear Information System (INIS)

    Research highlights: → (Vapor + liquid) equilibria of three (CO2 + C5 alcohol) binary systems were measured. → Complementary data are reported at (313, 323 and 333) K and from (2 to 11) MPa. → No liquid immiscibility was observed at the temperatures and pressures studied. → Experimental data were correlated with the PR-EoS and the van de Waals mixing rules. → Correlation results showed relative deviations ≤8 % (liquid) and ≤2 % (vapor). - Abstract: Complementary isothermal (vapor + liquid) equilibria data are reported for the (CO2 + 3-methyl-2-butanol), (CO2 + 2-pentanol), and (CO2 + 3-pentanol) binary systems at temperatures of (313, 323, and 333) K, and at pressure range of (2 to 11) MPa. For all (CO2 + alcohol) systems, it was visually monitored that there was no liquid immiscibility at the temperatures and pressures studied. The experimental data were correlated with the Peng-Robinson equation of state using the quadratic mixing rules of van der Waals with two adjustable parameters. The calculated (vapor + liquid) equilibria compositions were found to be in good agreement with the experimental data with deviations for the mole fractions <8% and <2% for the liquid and vapor phase, respectively.

  12. Natural equilibria and anthropic effects on sediment transport in big river systems: The Nile case

    Science.gov (United States)

    Garzanti, Eduardo; Andò, Sergio; Padoan, Marta; Vezzoli, Giovanni; Villa, Igor

    2014-05-01

    The Nile River flows for ~ 6700 km, from Burundi and Rwanda highlands south of the Equator to the Mediterranean Sea at northern subtropical latitudes. It is thus the longest natural laboratory on Earth, a unique setting in which we are carrying out a continuing research project to investigate changes in sediment composition associated with a variety of chemical and physical processes, including weathering in equatorial climate and hydraulic sorting during transport and deposition. Petrographic, mineralogical, chemical, and isotopic fingerprints of sand and mud have been monitored along all Nile branches, from the Kagera and White Nile draining Archean, Paleoproterozoic and Mesoproterozoic basements uplifted along the western branch of the East African rift, to the Blue Nile and Atbara Rivers sourced in Ethiopian volcanic highlands made of Oligocene basalt. Downstream of the Atbara confluence, the Nile receives no significant tributary water and hardly any rainfall across the Sahara. After construction of the Aswan High Dam in 1964, the Nile ceased to be an active conveyor-belt in Egypt, where the mighty river has been tamed to a water canal; transported sediments are thus chiefly reworked from older bed and levee deposits, with minor contributions from widyan sourced in the Red Sea Hills and wind-blown desert sand and dust. Extensive dam construction has determined a dramatic sediment deficit at the mouth, where deltaic cusps are undergoing ravaging erosion. Nile delta sediments are thus recycled under the effect of dominant waves from the northwest, the longest Mediterranean fetch direction. Nile sands, progressively enriched in more stable minerals such as quartz and amphiboles relative to volcanic rock fragments and pyroxene, thus undergo multistep transport by E- and NE-directed longshore currents all along the coast of Egypt and Palestine, and are carried as far as Akko Bay in northern Israel. Nile mud reaches the Iskenderun Gulf in southern Turkey. A full

  13. Biogas generation in landfills. Equilibria, rates and yields

    Energy Technology Data Exchange (ETDEWEB)

    Aakesson, M.

    1997-05-01

    Landfilling in `cells` has become more common in recent years. Different waste streams are guided to different cells, among which the biocell is a landfill designed for biogas production. In this thesis, the dependence of biogas generation on waste composition was investigated. Six 8,000 m{sup 3} test cells, with contents ranging from mainly commercial waste to pure domestic waste and equipped with gas extraction systems and bottom plastic liners, were monitored for seven years. Great emphasis was given to the characterization of conversion processes and governing mechanism in the topics of bio-energetics, kinetics and capacities. A thermodynamic model, in which the oxidations of volatile fatty acids (VFA) (2chemical oxygen demand, N, P and K were quantified. Biomass pools were estimated from methane yields, growth yield coefficients, and bacterial mineral contents. However, results from commercial waste test cells showed that the assimilation of P exceeded the refuse content, which suggests the turnover of microbial biomass and questions the notion of nutritional limitation. In sum, the results showed that the advantages of a reduced content of readily biodegradable material, achieved by guidance or pretreatment, encompass several aspects of the performance. 84 refs, 6 figs, 1 tab

  14. Peptide Conformational Equilibria Computed via a Single-Stage Shifting Protocol

    CERN Document Server

    Ytreberg, F M; Zuckerman, Daniel M.

    2004-01-01

    We study the conformational equilibria of two peptides using a novel statistical mechanics approach designed for calculating free energy differences between highly dis-similar conformational states. Our results elucidate the contrasting roles of entropy in implicitly solvated leucine dipeptide and decaglycine. The method extends earlier work by Voter, and overcomes the notorious "overlap" problem in free energy computations by constructing a mathematically equivalent calculation with high conformational similarity. The approach requires only equilibrium simulations of the two states of interest, without the need for sampling transition states. We discuss extensions of the approach to binding affinity estimation and explicitly solvated systems, as well as possible optimizations.

  15. Simulation of the high-pressure phase equilibria of hydrocarbon-water/brine systems

    DEFF Research Database (Denmark)

    Zuo, You-Xiang; Stenby, Erling Halfdan; Guo, Tian-Min

    1996-01-01

    The major objectives of this work are: (1) extend the modified Patel-Teja (MPT) equation of state proposed for aqueous electrolyte systems (Zuo and Guo, 1991) to describe the liquid-liquid and vapor-liquid-liquid equilibria of hydrocarbon-water/brine systems through introducing an unconventional...... mixing rule to the energy parameter "a", (2) apply the revised MPT model (MPT2 model) to predict the effects of the coexisting water/formation water phase on the high-pressure phase behavior of reservoir oils/gas condensates, of which no experimental data is available.The predicted results indicate...... that the influence of the coexisting aqueous phase is not negligible....

  16. Stabilization of the stochastically forced equilibria for nonlinear discrete-time systems with incomplete information

    Energy Technology Data Exchange (ETDEWEB)

    Ryashko, Lev [Ural Federal University, Lenina, 51, Ekaterinburg, 620000 (Russian Federation)

    2015-11-30

    A stabilization problem of the equilibrium of stochastically forced nonlinear discrete-time system with incomplete information is considered. Our approach uses a regulator which synthesizes the required stochastic sensitivity of the equilibrium. Mathematically, this problem is reduced to the solution of some quadratic matrix equations. A description of attainability sets and algorithms for regulators design is given. The general results are applied to the suppression of unwanted large-amplitude oscillations around the equilibria of the stochastically forced Verhulst model with noisy observations.

  17. New results concerning the stability of equilibria of a delay differential equation modeling leukemia

    CERN Document Server

    Ion, Anca Veronica

    2010-01-01

    The paper is devoted to the study of stability of equilibrium solutions of a delay differential equation that models leukemia. The equation was previously studied in [5] and [6], where the emphasis is put on the numerical study of periodic solutions. Some stability results for the equilibria are also presented in these works, but they are incomplete and contain some errors. Our work aims to complete and to bring corrections to those results. Both Lyapunov first order approximation method and second Lyapunov method are used.

  18. Sunspot Equilibria in a Production Economy: Do Rational Animal Spirits Cause Overproduction?

    OpenAIRE

    Kajii, Atsushi

    2008-01-01

    We study a standard two period economy with one nominal bond and one firm. The input of the firm is done in the first period and financed with the nominal bond, and its profits are distributed to the shareholders in the second period. We show that a sunspot equilibrium exists around each efficient equilibrium. The interest rate is lower than optimal and there is over production in sunspot equilibria, under some conditions. But a sunspot equilibrium does not exist if the profit share can be tr...

  19. Integrability, analyticity, isochrony, equilibria, small oscillations, and Diophantine relations: results from the stationary Burgers hierarchy

    Energy Technology Data Exchange (ETDEWEB)

    Bruschi, M; Calogero, F [Dipartimento di Fisica, Universita di Roma ' La Sapienza' , 00185 Roma (Italy); Droghei, R [Dipartimento di Fisica, Universita Roma Tre (Italy)], E-mail: mario.bruschi@roma1.infn.it, E-mail: francesco.calogero@roma1.infn.it, E-mail: francesco.calogero@uniroma1.it, E-mail: droghei@fis.uniroma3.it

    2009-11-27

    An isochronous system is introduced by modifying the Nth ODE of the stationary Burgers hierarchy, and then, by investigating its behaviour near its equilibria, neat Diophantine relations are identified, involving (well-known) polynomials of arbitrary degree having integer zeros, or equivalently matrices the determinants of which yield such polynomials. The basic idea to arrive at such relations is not new, but the specific application reported in this paper is new, and it is likely to open the way to several analogous new findings.

  20. Hydrate phase equilibria of CO2+N2+aqueous solution of THF, TBAB or TBAF system

    DEFF Research Database (Denmark)

    Sfaxi, Imen Ben Attouche; Durand, Isabelle; Lugo, Rafael;

    2014-01-01

    We report hydrate dissociation conditions of CO2 (15 and 30mol%)+N2 (85 and 70mol%) in the presence of aqueous solutions of THF, TBAB or TBAF. The concentrations of TBAB and TBAF in the aqueous solutions are 5wt% and 9wt% while THF concentration in aqueous solution is 3mol%. Two different...... experimental techniques including isochoric pressure search method and a DSC method are used to measure the hydrate dissociation conditions. A comparison is finally made with the literature data. It is expected that this study provides better understanding of hydrate phase equilibria associated with CO2...

  1. Stabilization of the stochastically forced equilibria for nonlinear discrete-time systems with incomplete information

    International Nuclear Information System (INIS)

    A stabilization problem of the equilibrium of stochastically forced nonlinear discrete-time system with incomplete information is considered. Our approach uses a regulator which synthesizes the required stochastic sensitivity of the equilibrium. Mathematically, this problem is reduced to the solution of some quadratic matrix equations. A description of attainability sets and algorithms for regulators design is given. The general results are applied to the suppression of unwanted large-amplitude oscillations around the equilibria of the stochastically forced Verhulst model with noisy observations

  2. Evolution of generalized two-dimensional magnetotail equilibria in ideal and resistive MHD

    Science.gov (United States)

    Merkin, V. G.; Sitnov, M. I.; Lyon, J. G.

    2015-03-01

    We present results of two-dimensional (2-D) magnetohydrodynamic (MHD) simulations of the terrestrial magnetotail. A regional adaptation of the Lyon-Fedder-Mobarry global MHD model is used. As initial conditions, we employ a class of asymptotic magnetotail equilibria with and without an accumulation of magnetic flux at the tailward end (a Bz hump). The former have been recently shown by full particle simulations to be unstable to a kinetic mode with formal properties of ion tearing. Thus, our goal here is to investigate the evolution of the same equilibria in the MHD approximation and assist in the physical interpretation of the kinetic simulations. This is additionally motivated by the energy principle considerations which suggest that if the system is unstable kinetically, it may also be unstable ideally. To seek dynamical MHD regimes similar to those observed in kinetic simulations, we implement two sets of boundary conditions (velocity balanced, VB, and momentum balanced, MB), one allowing plasma flows through the boundaries and the other inhibiting such flows. The use of more reflecting MB boundary conditions results in suppression of any significant dynamics, and we see no substantial changes beyond initial equilibrium relaxation. On the other hand, VB boundary conditions allow a more efficient relaxation of initial equilibrium and absorb subsequently generated plasma flows. With these boundary conditions we find the equilibrium without a flux accumulation (i.e., with constant magnetic field component normal to the current sheet) to develop an apparently resistive mode accompanied by tailward plasma flows. At the same time, the equilibria with a Bz hump of sufficiently large amplitude develop a different, ideal, mode characterized by spontaneous generation of earthward plasma flows and an exponential growth of the corresponding electric field. This growth is qualitatively similar to the corresponding fully kinetic simulations although no explosive growth of

  3. Multistep Hybrid Iterations for Systems of Generalized Equilibria with Constraints of Several Problems

    Directory of Open Access Journals (Sweden)

    Lu-Chuan Ceng

    2014-01-01

    Full Text Available We first introduce and analyze one multistep iterative algorithm by hybrid shrinking projection method for finding a solution of the system of generalized equilibria with constraints of several problems: the generalized mixed equilibrium problem, finitely many variational inclusions, the minimization problem for a convex and continuously Fréchet differentiable functional, and the fixed-point problem of an asymptotically strict pseudocontractive mapping in the intermediate sense in a real Hilbert space. We prove strong convergence theorem for the iterative algorithm under suitable conditions. On the other hand, we also propose another multistep iterative algorithm involving no shrinking projection method and derive its weak convergence under mild assumptions.

  4. Thermodynamic Models for Vapor-Liquid Equilibria of Nitrogen+Oxygen+Carbon Dioxide at Low Temperatures

    OpenAIRE

    Vrabec, J.; Kedia, G. K.; Buchhauser, U.; Meyer-Pittroff, R.; Hasse, H.

    2009-01-01

    For the design and optimization of CO2 recovery from alcoholic fermentation processes by distillation, models for vapor-liquid equilibria (VLE) are needed. Two such thermodynamic models, the Peng-Robinson equation of state (EOS) and a model based on Henry's law constants, are proposed for the ternary mixture N2+O2+CO2. Pure substance parameters of the Peng-Robinson EOS are taken from the literature, whereas the binary parameters of the Van der Waals one-fluid mixing rule are adjusted to exper...

  5. Modelling of phase equilibria of glycol ethers mixtures using an association model

    DEFF Research Database (Denmark)

    Garrido, Nuno M.; Folas, Georgios; Kontogeorgis, Georgios

    2008-01-01

    Vapor-liquid and liquid-liquid equilibria of glycol ethers (surfactant) mixtures with hydrocarbons, polar compounds and water are calculated using an association model, the Cubic-Plus-Association Equation of State. Parameters are estimated for several non-ionic surfactants of the polyoxyethylene......-associating mixtures. The influence on the results of the association schemes, type of data available, combining rules for cross-associating mixtures and interaction parameters are discussed also in connection to other cross-associating mixtures, previously studied with the model. Finally, the capabilities...

  6. Investigation of the Phase Equilibria and Interfacial Properties for Non-polar Fluids

    Institute of Scientific and Technical Information of China (English)

    付东; 赵毅

    2005-01-01

    A self-consistent density-functional theory (DFT) was applied to investigate the phase behavior and interfacial properties of non-polar fluids. For the bulk phases, the theory was reduced to the statistical associating fluid theory(SAFF) that provides accurate descriptions of vapor-liquid phase diagrams below the critical region. The phase diagrams in the critical region were corrected by the renormalization group theory (RGT). The density profile in the surface was obtained by minimizing the grand potential. With the same set of molecular parameters, both the phase equilibria and the interfacial properties of non-polar fluids were investigated satisfactorily.

  7. Stability of Negative Image Equilibria in Spike-Timing Dependent Plasticity

    CERN Document Server

    Williams, A; Leen, T K; Williams, Alan; Roberts, Patrick D.; Leen, Todd K.

    2003-01-01

    We investigate the stability of negative image equilibria in mean synaptic weight dynamics governed by spike-timing dependent plasticity (STDP). The neural architecture of the model is based on the electrosensory lateral line lobe (ELL) of mormyrid electric fish, which forms a negative image of the reafferent signal from the fish's own electric discharge to optimize detection of external electric fields. We derive a necessary and sufficient condition for stability, for arbitrary postsynaptic potential functions and arbitrary learning rules. We then apply the general result to several examples of biological interest.

  8. Small Open Chemical Systems Theory: Its Implications to Darwinian Evolution Dynamics, Complex Self-Organization and Beyond

    International Nuclear Information System (INIS)

    The study of biological cells in terms of mesoscopic, nonequilibrium, nonlinear, stochastic dynamics of open chemical systems provides a paradigm for other complex, self-organizing systems with ultra-fast stochastic fluctuations, short-time deterministic nonlinear dynamics, and long-time evolutionary behavior with exponentially distributed rare events, discrete jumps among punctuated equilibria, and catastrophe. (general)

  9. Vapor-liquid equilibria for acetone + chloroform + methanol and constituent binary systems at 101. 3 kPa

    Energy Technology Data Exchange (ETDEWEB)

    Hiaki, Toshihiko (Nihon Univ., Chiba (Japan). Dept. of Industrial Chemistry); Kurihara, Kiyofumi; Kojima, Kazuo (Nihon Univ., Tokyo (Japan). Dept. of Industrial Chemistry)

    1994-10-01

    Vapor-liquid equilibria (VLE) and azeotropic data, which are useful for the design and operation of separation processes, have been observed for many systems. Isobaric vapor-liquid equilibria for acetone + chloroform + methanol and for the constituent binary systems chloroform + methanol and chloroform + acetone were measured at 101.3 kPa using a liquid-vapor ebullition-type equilibrium still. The experimental data were correlated with the extended Redlich-Kister and Wilson equations. The data were best correlated and completely calculated for the ternary and three binary azeotropic data using the extended Redlich-Kister equation.

  10. Artificial multiple criticality and phase equilibria: an investigation of the PC-SAFT approach.

    Science.gov (United States)

    Yelash, Leonid; Müller, Marcus; Paul, Wolfgang; Binder, Kurt

    2005-11-01

    The perturbed-chain statistical associating fluid theory (PC-SAFT) is studied for a wide range of temperature, T, pressure, p, and (effective) chain length, m, to establish the generic phase diagram of polymers according to this theory. In addition to the expected gas-liquid coexistence, two additional phase separations are found, termed "gas-gas" equilibrium (at very low densities) and "liquid-liquid" equilibrium (at densities where the system is expected to be solid already). These phase separations imply that in one-component polymer systems three critical points occur, as well as equilibria of three fluid phases at triple points. However, Monte Carlo simulations of the corresponding system yield no trace of the gas-gas and liquid-liquid equilibria, and we conclude that the latter are just artefacts of the PC-SAFT approach. Using PC-SAFT to correlate data for polybutadiene melts, we suggest that discrepancies in modelling the polymer density at ambient temperature and high pressure can be related to the presumably artificial liquid-liquid phase separation at lower temperatures. Thus, particular care is needed in engineering applications of the PC-SAFT theory that aims at predicting properties of macromolecular materials.

  11. Experimental vapor-liquid equilibria data for binary mixtures of xylene isomers

    Directory of Open Access Journals (Sweden)

    W.L. Rodrigues

    2005-09-01

    Full Text Available Separation of aromatic C8 compounds by distillation is a difficult task due to the low relative volatilities of the compounds and to the high degree of purity required of the final commercial products. For rigorous simulation and optimization of this separation, the use of a model capable of describing vapor-liquid equilibria accurately is necessary. Nevertheless, experimental data are not available for all binaries at atmospheric pressure. Vapor-liquid equilibria data for binary mixtures were isobarically obtained with a modified Fischer cell at 100.65 kPa. The vapor and liquid phase compositions were analyzed with a gas chromatograph. The methodology was initially tested for cyclo-hexane+n-heptane data; results obtained are similar to other data in the literature. Data for xylene binary mixtures were then obtained, and after testing, were considered to be thermodynamically consistent. Experimental data were regressed with Aspen Plus® 10.1 and binary interaction parameters were reported for the most frequently used activity coefficient models and for the classic mixing rules of two cubic equations of state.

  12. NIMROD studies of RWM stability and non-linear evolution for NSTX equilibria

    Science.gov (United States)

    Becerra, A. L.; Hegna, C. C.; Sovinec, C. R.; Kruger, S. E.; King, J. R.; Sabbagh, S. A.

    2015-11-01

    We make use of the generalized thin resistive wall boundary condition recently implemented in NIMROD to study the linear and nonlinear RWM stability properties of a series of reconstructed NSTX equilibria. The boundary condition operates by matching the magnetic field inside the computational domain with external fields found using the Green's function method in the GRIN vacuum-field solver at the wall, and is valid for toroidal geometries with poloidal asymmetry as well as for cylindrical geometries. Time series of NSTX equilibrium reconstructions from two shots whose normalized betas span the no-wall limit are studied. The critical beta for RWM onset found by NIMROD is compared with the stability limit predicted by ideal MHD code DCON. Scans with varying wall parameters are also performed to demonstrate the approximately linear relationship between growth rate and wall resistivity, and to test the performance limits of the boundary condition. The stability of these equilibria for n>1 is also examined, with both linear and non-linear runs in preparation for examining the non-linear effects due to toroidal rotation. Research supported by U. S. DoE under grant no. DE-FG02-86ER53218.

  13. F-OH exchange equilibria between mica-amphibole mineral pairs

    Science.gov (United States)

    Westrich, Henry R.

    1982-01-01

    Fluoride-hydroxyl exchange equilibria between phlogopite-pargasite and phlogopite-tremolite mineral pairs were experimentally determined at 1,173 K, 500 bars and 1,073 1,173 K, 500 bars respectively. The distribution of fluorine between phlogopite and pargasite was found to favor phlogopite slightly, Δ G {ex/.}(1,173 K)=-1.71 kJ anion-1, while in the case of phlogopite-tremolite, fluorine was preferentially incorporated in the mica, Δ G {ex/.}(1,073)=- 5.67 kJ anion-1 and Δ G {ex/.}(1,173K)=-5.84 kJ anion-1. These results have yielded new values of entropy and Gibbs energy of formation for fluortremolite, Δ S {f/∘}=-2,293.4±16.0JK-1 mol-1 and Δ G {f/∘}= -11,779.3±25.0 kJ mol-1, respectively. In addition, F-OH mineral exchange equilibria support a recent molten oxide calorimetric value for the Gibbs energy of fluorphlogopite, Δ G {f/∘}=-6,014.0±7.0 kJ mol-1, which is approximately 40 kJ mol-1 more exothermic than the tabulated value.

  14. Behaviour of magnetic islands in 3D MHD equilibria of helical devices

    International Nuclear Information System (INIS)

    Magnetic island formation in 3D finite-β equilibria in the H-1 Heliac is studied by using the HINT code. It is found that the size of a dangerous island should increase with β but that destruction of the equilibrium at low β is avoided because the rotational transform evolves to exclude the rational surface concerned. At higher β there is evidence of near-resonant flux surface deformations which may lead to an equilibrium limit. A reconnected equilibrium at still higher β exhibits a double island structure which is similar to homoclinic phase portraits which have been observed after separatrix reconnection in Hamiltonian systems. The physical mechanisms of island formation in finite-β helical equilibria have been investigated. The HINT code predicts that the global effect to the Pfirsch-Schlueter currents can lead to self-healing of magnetic islands independent of whether or not the plasma is stable to resistive interchange modes. This result has been compared with the predictions of a boundary-layer analysis which has been extended to consider configurations with islands in the vacuum magnetic field. (author). 5 refs, 1 fig

  15. A Hierarchy of Dynamic Equilibria and a View of a Fly's Equilibrium Reflex

    Science.gov (United States)

    Wang, Z. Jane

    Understanding structures within a structure is a topic that has fascinated Leo throughout his life, and we are now benefiting from his fundamental insights when we think about living organisms. A living organism is far from statistical equilibrium and it does not have a single critical parameter. Nevertheless, each organism has a hierarchical structure within itself. Recently, asking how often a fly must sense its orientation in order to balance in air has led us to suggest one of the fly's 17 steering muscles, the first basalar muscle, is responsible for maintaining flight stability. Here I suggest that the chain of events associated with flight equilibrium reflex can be viewed as a succession of local linear transformation about a set of dynamic equilibria. Each of the functionally different parts, the sensors, motor neurons, muscles, wing-hinges, flapping wings, and the thorax, operates near its own dynamic equilibrium, often close to the boundary between stability and instability. Locomotion rises as an organism responds to a small perturbation from these equilibria. Kadanoff session.

  16. Phases and phase equilibria in the quaternary system Ti-Cu-Al-N at 850 C

    Energy Technology Data Exchange (ETDEWEB)

    Durlu, N. [Vienna Univ. (Austria); Gruber, U. [Vienna Univ. (Austria); Pietzka, M.A. [Vienna Univ. (Austria); Schmidt, H. [Vienna Univ. (Austria); Schuster, J.C. [Vienna Univ. (Austria)

    1997-05-01

    Phase equilibria in the quaternary system Ti-Cu-Al-N are investigated using XRD, metallography and EDX, yielding the observation of 18 four phase spaces of the 850 C isotherm. In the ternary boundary systems Ti-Cu-Al and Ti-Al-N, all previously reported phases are confirmed, but several tielines are newly determined. In the system Ti-N, the new ternary phase Ti{sub 3}CuN dominates most phase fields. Based on thermochemical data of the binary boundary systems and the newly investigated or re-investigated phase equilibria of the ternary boundary systems, a set of Gibbs energies for the solid phases occuring in the quaternary system is derived, which is used in combination with the quaternary experimental data to derive a large section of the isotherm for Ti-Cu-Al-N at 850 C. The quaternary {eta}-phase (Ti, Cu, Al){sub 6}N having the composition Ti{sub 3}Cu{sub 2}Al{sub 1}N{sub 0.8} is found to be the only stable quaternary phase of this system. Several {eta}-phases isotypic to Ti{sub 3}Cu{sub 2}Al{sub 1}N{sub 0.8} are synthesized to explore the crystal chemistry effects of substitutions on different crystallographic sites. (orig.)

  17. Stable bootstrap-current driven equilibria for low aspect ratio tokamaks

    Energy Technology Data Exchange (ETDEWEB)

    Miller, R.L.; Lin-Liu, Y.R.; Turnbull, A.D.; Chan, V.S. [General Atomics, San Diego, CA (United States); Pearlstein, L.D. [Lawrence Livermore National Lab., CA (United States); Sauter, O.; Villard, L. [Ecole Polytechnique Federale, Lausanne (Switzerland). Centre de Recherche en Physique des Plasma (CRPP)

    1996-09-01

    Low aspect ratio tokamaks can potentially provide a high ratio of plasma pressure to magnetic pressure {beta} and high plasma current I at a modest size, ultimately leading to a high power density compact fusion power plant. For the concept to be economically feasible, bootstrap current must be a major component of the plasma. A high value of the Troyon factor {beta}{sub N} and strong shaping are required to allow simultaneous operation at high {beta} and high bootstrap current fraction. Ideal magnetohydrodynamic stability of a range of equilibria at aspect 1.4 is systematically explored by varying the pressure profile and shape. The pressure and current profiles are constrained in such a way as to assure complete bootstrap current alignment. Both {beta}{sub N} and {beta} are defined in terms of the vacuum toroidal field. Equilibria with {beta} {sub N}{>=}8 and {beta} {approx_equal}35% to 55% exist which are stable to n = {infinity} ballooning modes, and stable to n = 0,1,2,3 kink modes with a conducting wall. The dependence of {beta} and {beta}{sub N} with respect to aspect ratio is also considered. (author) 9 figs., 14 refs.

  18. High-beta equilibria in tokamaks with pressure anisotropy and toroidal flow

    Science.gov (United States)

    Layden, B.; Hole, M. J.; Ridden-Harper, R.

    2015-12-01

    We extend previous analytical calculations of 2D high-β equilibria in order-unity aspect ratio tokamaks with toroidal flow to include pressure anisotropy, assuming guiding-center theory for a bi-Maxwellian plasma and the ideal MHD Ohm's law. Equilibrium solutions are obtained in the core region (which fills most of the plasma volume) and the boundary layer. We find that pressure anisotropy with p∥>p⊥ ( p∥Ωmin ) were previously found to suppress the field-free region (diamagnetic hole) that exists in static isotropic high-β equilibria. We find that all equilibrium solutions with pressure anisotropy suppress the diamagnetic hole. For the static case with a volume-averaged toroidal beta of 70%, plasmas with max (p∥/p⊥)>α1=1.07 have equilibrium solutions. We find that α1 decreases with increasing toroidal flow speed, and above the flow threshold Ωmin we find α1=1 , so that all p∥>p⊥ plasmas have equilibrium solutions. On the other hand, for p∥p⊥ , while the converse is true for p∥

  19. Heterogeneously Catalysed Chemical Reactions in Carbon Dioxide Medium

    DEFF Research Database (Denmark)

    Musko, Nikolai E.

    the selective hydrogenation of unsaturated aldehydes in carbon dioxide medium. It was found that supported tungstosilicic acid catalysts and acidic resin Amberlyst-15 are very effective for performing aldol reactions. The positive influence of temperature and CO2-content on catalyst activity was studied...... useful for the phase behaviour investigations. The direct synthesis of dimethyl carbonate from methanol and CO2 has been investigated for quite a long time, however hardly any sufficiently active catalysts have been found so far. Nevertheless, optimisation of the phase equilibria of the reaction mixture...... studies of catalytic chemical reactions in dense and supercritical carbon dioxide have been complemented by the theoretical calculations of phase equilibria using advanced thermodynamic models. In the recent years, the use of compressed carbon dioxide as innovative, non-toxic and non-flammable, cheap...

  20. Adsorption of Halogenated Hydrocarbons from Aqueous Solutions by Wetted and Nonwetted Hydrophobic and Hydrophilic Sorbents:  Equilibria

    NARCIS (Netherlands)

    Rexwinkel, G.; Heesink, A.B.M.; Swaaij, van W.P.M.

    1999-01-01

    Single-solute adsorption equilibria of 1,1,1-trichloroethane, 1,1,2-trichloroethane, trichloroethene, trans-1,2-dichloroethene, chloroform, 2,4-dichorophenol, and dichloromethane dissolved in water have been measured, using both wetted and nonwetted hydrophobic Amberlite XAD-4 resin at 20 °C. The re

  1. Binary, ternary and quaternary liquid-liquid equilibria in 1-butanol, oleic acid, water and n-heptane mixtures

    NARCIS (Netherlands)

    Winkelman, J. G. M.; Kraai, G. N.; Heeres, H. J.

    2009-01-01

    This work reports on liquid-liquid equilibria in the system 1-butanol, oleic acid, water and n-heptane used for biphasic, lipase catalysed esterifications. The literature was studied on the mutual solubility in binary systems of water and each of the organic components. Experimental results were obt

  2. Solid-Liquid Equilibria for Many-component Mixtures Using Cubic-Plus-Association (CPA) equation of state

    DEFF Research Database (Denmark)

    Fettouhi, André; Thomsen, Kaj

    2010-01-01

    In the creation of liquefied natural gas the formation of solids play a substantial role, hence detailed knowledge is needed about solid-liquid equilibria (SLE). In this abstract we shortly summarize the work we have carried out at CERE over the past year with SLE for many-component mixtures using...

  3. Stability of the classical type of relative equilibria of a rigid body in the J2 problem

    CERN Document Server

    Wang, Yue

    2013-01-01

    The motion of a point mass in the J2 problem is generalized to that of a rigid body in a J2 gravity field. The linear and nonlinear stability of the classical type of relative equilibria of the rigid body, which have been obtained in our previous paper, are studied in the framework of geometric mechanics with the second-order gravitational potential. Non-canonical Hamiltonian structure of the problem, i.e., Poisson tensor, Casimir functions and equations of motion, are obtained through a Poisson reduction process by means of the symmetry of the problem. The linear system matrix at the relative equilibria is given through the multiplication of the Poisson tensor and Hessian matrix of the variational Lagrangian. Based on the characteristic equation of the linear system matrix, the conditions of linear stability of the relative equilibria are obtained. The conditions of nonlinear stability of the relative equilibria are derived with the energy-Casimir method through the projected Hessian matrix of the variationa...

  4. Thermodynamic characteristics of the acid-base equilibria of taurine in aqueous solutions, according to calorimetry data

    Science.gov (United States)

    Gridchin, S. N.; Shekhanov, R. F.; Pyreu, D. F.

    2015-02-01

    Enthalpies of the neutralization and protonation of taurine (HL) are measured by direct calorimetry at 298.15 K and ionic strengths of 0.3, 0.5, and 1.0 (KNO3). The standard thermodynamic characteristics of HL protolytic equilibria are calculated.

  5. Phase and extraction equilibria in water-polyethyleneglycol ethers of monoethanolamides of synthetic fatty acid-ammonium chloride systems

    Science.gov (United States)

    Lesnov, A. E.; Golovkina, A. V.; Kudryashova, O. S.; Denisova, S. A.

    2016-08-01

    Phase equilibria in layering systems of water, polyethyleneglycol ethers of monoethanolamides of synthetic fatty acids (SFAs) (synthamide-5), and ammonium chloride are studied. The possibility of using such systems for the liquid extraction of metal ions is evaluated. The effect the nature of salting-out agents has on the processes of segregation of the systems has been considered.

  6. Modeling the vapor-liquid equilibria of polymer-solvent mixtures: Systems with complex hydrogen bonding behavior

    DEFF Research Database (Denmark)

    Tsivintzelis, Ioannis; Kontogeorgis, Georgios

    2009-01-01

    The vapor–liquid equilibria of binary polymer–solvent systems was modeled using the Non-Random Hydrogen Bonding (NRHB) model. Mixtures of poly(ethylene glycol), poly(propylene glycol), poly(vinyl alcohol) and poly(vinyl acetate) with various solvents were investigated, while emphasis was put...

  7. Thermodynamic Modeling of Multi-phase Solid–Liquid Equilibria in Industrial-Grade Oils and Fats

    DEFF Research Database (Denmark)

    Hjorth, Jeppe Lindegaard; Miller, Rasmus L.; Woodley, John M.;

    2015-01-01

    Compositional thermodynamic phase separation is investigated for industrial-grade vegetable oils with complex compositions. Solid–liquid equilibria have been calculated by utilizing the Margules 2-suffix activity-coefficient model in combination with minimization of the Gibb’s free energy of the ...

  8. Solid–liquid equilibria for binary and ternary systems with the Cubic-Plus-Association (CPA) equation of state

    DEFF Research Database (Denmark)

    Fettouhi, André; Thomsen, Kaj

    2010-01-01

    A systematic investigation of the CPA model's performance within solid-liquid equilibria (SLE) in binary mixtures (methane + ethane, methane + heptane, methane + benzene, methane + CO2, ethane + heptane, ethane + CO2, 1-propanol + 1,4-dioxane, ethanol + water, 2-propanol + water) is presented...

  9. Clathrate hydrate equilibria in mixed monoethylene glycol and electrolyte aqueous solutions

    International Nuclear Information System (INIS)

    Highlights: ► New water activity of mixed salt(s) and MEG aqueous solutions were measured. ► New 3-phase H–Lw–V data for methane and a natural gas in equilibrium with MEG and NaCl solutions are reported. ► The CPA-EoS combined with a modified Debye Hückel electrostatic term is employed to model the phase equilibria. ► Water activity data were used to adjust parameters of the modified Debye Hückel electrostatic term. ► The modified model was independently validated using hydrate data. - Abstract: Monoethylene glycol (MEG) is commonly added in the formulation of hydraulic and drilling fluids and injected into pipelines to prevent the formation of gas hydrates. It is therefore necessary to establish the effect of a combination of salts and thermodynamic inhibitors on gas hydrate equilibria. In this communication, water activity of five ternary solutions (MEG–H2O–NaCl, MEG–H2O–CaCl2, MEG–H2O–MgCl2, MEG–H2O–KCl and MEG–H2O–NaBr) and four multicomponent solutions have been measured by a reliable resistive electrolytic humidity sensor. We also report new experimental measurements of the locus of incipient hydrate-liquid water–vapour curve for systems containing methane or natural gas with aqueous solution of ethylene glycol and NaCl over a wide range of concentrations, pressures and temperatures. A thermodynamic approach in which the Cubic-Plus-Association equation of state is combined with a modified Debye Hückel electrostatic term is employed to model the phase equilibria. These new data have been used to optimise binary interaction parameters between salts and MEG implemented in the modified Debye Hückel electrostatic term. The model developed has been evaluated using the new generated hydrate data and literature data. Good agreement between predictions of the modified model and experimental data is observed, supporting the reliability of the developed model.

  10. Local equilibria and state transfer of charged classical particles on a helix in an electric field

    CERN Document Server

    Plettenberg, J; Zampetaki, A V; Schmelcher, P

    2016-01-01

    We explore the effects of a homogeneous external electric field on the static properties and dynamical behavior of two charged particles confined to a helix. In contrast to the field-free setup which provides a separation of the center-of-mass and relative motion, the existence of an external force perpendicular to the helix axis couples the center-of-mass to the relative degree of freedom leading to equilibria with a localized center of mass. By tuning the external field various fixed points are created and/or annihilated through different bifurcation scenarios. We provide a detailed analysis of these bifurcations based on which we demonstrate a robust state transfer between essentially arbitrary equilibrium configurations of the two charges that can be induced by making the external force time-dependent.

  11. Implementation of Hamada principle in calculations of nested 3-D equilibria

    Science.gov (United States)

    Zakharov, Leonid E.

    2015-12-01

    > Plasma confinement is based on the use of nested toroidal magnetic surfaces. In axisymmetric configurations the nestedness is provided by the existence of a flux function describing the magnetic surfaces explicitly. In the case of a three-dimensional magnetic field, the nested surfaces represent an exception. More typically, magnetic islands are formed on the resonant surfaces. The islands could degrade the plasma performance. The rigorous condition for the existence of nested surfaces without islands was formulated by Hamada (Nucl. Fusion, vol. 2, 1962, pp. 23-37) but was not implemented directly into numerical codes used, for example, for designing the stellarator configurations. This paper introduces a method of implementation of the Hamada principle in numerical algorithms. The proposed approach allows for simple linearized equilibrium equations (LEE) and potentially very efficient three-dimensional calculations of nested equilibria.

  12. Liquid-Liquid equilibria of the water-acetic acid-butyl acetate system

    Directory of Open Access Journals (Sweden)

    E. Ince

    2002-04-01

    Full Text Available Experimental liquid-liquid equilibria of the water-acetic acid-butyl acetate system were studied at temperatures of 298.15± 0.20, 303.15± 0.20 and 308.15± 0.20 K. Complete phase diagrams were obtained by determining solubility and tie-line data. The reliability of the experimental tie-line data was ascertained by using the Othmer and Tobias correlation. The UNIFAC group contribution method was used to predict the observed ternary liquid-liquid equilibrium (LLE data. It was found that UNIFAC group interaction parameters used for LLE did not provide a good prediction. Distribution coefficients and separation factors were evaluated for the immiscibility region.

  13. High-pressure Phase Equilibria for Binary Ethanol System Containing Supercriticai CO2

    Institute of Scientific and Technical Information of China (English)

    朱虎刚; 田宜灵; 陈丽; 秦颖; 冯季军

    2001-01-01

    High-pressure phase behavior of supercritical (SC) CO2+ethanol system was investigated at 333.2 K,348.2K, 353.2K, 368.2K, 413.2K and 453.2K and pressure from 2.0MPa to 14.3MPa. The measurement was carried out in a cylindrical autoclave with a moveable piston and a window for adjustment and observation of phase equilibria at given T and p. The samples were taken from two coexisting phases and were analyzed to obtain their compositions. It is shown that the solubility of SC CO2 in ethanol increases drastically with pressures at the given temperature, but the content of ethanol in CO2-rich phase increase faintly.

  14. High-pressure Phase Equilibria for Binary Ethanol System Containing Supercritical CO2

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    High-pressure phase behavior of supercritical (SC) CO2+ethanol system was investigated at 333.2 K, 348.2 K, 353.2 K, 368.2 K, 413.2 K and 453.2 K and pressure from 2.0 MPa to 14.3 MPa. The measurement was carried out in a cylindrical autoclave with a moveable piston and a window for adjustment and observation of phase equilibria at given T and p. The samples were taken from two coexisting phases and were analyzed to obtain their compositions. It is shown that the solubility of SC CO2 in ethanol increases drastically with pressures at the given temperature, but the content of ethanol in CO2-rich phase increase faintly.

  15. The Swelling Equilibria of N-isopropylacrylamide Based Hydrogel in Aqueous Solution of Ethanol

    Institute of Scientific and Technical Information of China (English)

    许小平; HUETHERAndreas; MAURERGerd

    2003-01-01

    N-isopropylacrylamide (NIPAAm) was used to synthesize NIPAAm homopolymer (nonionized) and NIPAAm-sodium methacrylate copolymer (ionized). The swelling equilibria for both gels were obtained in aqueous solution of ethanol with concentration ranging from 0 to 100%(by mass) at 25℃. The swollen gel in water shrank first with the addition of a small amount of ethanol and then reswelled with further addition of ethanol showing not only a discontinuous volume phase transition but also a typical reentrant phenomenon. A thermodynamic model based on the UNIQUAC with the "free-volume" contribution was applied to correlate and predict the swelling behavior of the poly(NIPAAM)-gels in ethanol-water mixture.

  16. Rotational equilibria by Lagrangian variational principle: toward multi-dimensional stellar evolutions

    CERN Document Server

    Yasutake, Nobutoshi; Yamada, Shoichi

    2016-01-01

    We have developed a new formulation to obtain self-gravitating, axisymmetric configurations in permanent rotation. The formulation is based on the Lagrangian variational principle with a triangulated mesh. It treats not only barotropic but also baroclinic equations of state. We compare the various stellar equilibria obtained by our new scheme with those by Hachisu's self-consistent field scheme for the barotropic case, and those by Fujisawa's self-consistent field scheme for the baroclinic case. Included in these rotational configurations are those with shellular-type rotations, which are commonly assumed in the evolution calculation of rotating stars. Although radiation processes, convections and meridional flows have not been taken into account in this study, we have in mind the application of this method to the two-dimensional evolution calculations of rotating stars, for which the Lagrangian formulation is best suited.

  17. Strong and Weak Convergence Criteria of Composite Iterative Algorithms for Systems of Generalized Equilibria

    Directory of Open Access Journals (Sweden)

    Lu-Chuan Ceng

    2014-01-01

    Full Text Available We first introduce and analyze one iterative algorithm by using the composite shrinking projection method for finding a solution of the system of generalized equilibria with constraints of several problems: a generalized mixed equilibrium problem, finitely many variational inequalities, and the common fixed point problem of an asymptotically strict pseudocontractive mapping in the intermediate sense and infinitely many nonexpansive mappings in a real Hilbert space. We prove a strong convergence theorem for the iterative algorithm under suitable conditions. On the other hand, we also propose another iterative algorithm involving no shrinking projection method and derive its weak convergence under mild assumptions. Our results improve and extend the corresponding results in the earlier and recent literature.

  18. Accelerated convergence of the steepest-descent method for magnetohydrodynamic equilibria

    International Nuclear Information System (INIS)

    Iterative schemes based on the method of steepest descent have recently been used to obtain magnetohydrodynamic (MHD) equilibria. Such schemes generate asymptotic geometric vector sequences whose convergence rate can be improved through the use of the epsilon-algorithm. The application of this nonlinear recursive technique to stiff systems is discussed. In principle, the epsilon-algorithm is capable of yielding quadratic convergence and therefore represents an attractive alternative to other quadratic convergence schemes requiring Jacobian matrix inversion. Because the damped MHD equations have eigenvalues with negative real parts (in the neighborhood of a stable equilibrium), the epsilon-algorithm will generally be stable. Concern for residual monotonic sequences leads to consideration of alternative methods for implementing the algorithm

  19. MTDATA and the Prediction of Phase Equilibria in Oxide Systems: 30 Years of Industrial Collaboration

    Science.gov (United States)

    Gisby, John; Taskinen, Pekka; Pihlasalo, Jouni; Li, Zushu; Tyrer, Mark; Pearce, Jonathan; Avarmaa, Katri; Björklund, Peter; Davies, Hugh; Korpi, Mikko; Martin, Susan; Pesonen, Lauri; Robinson, Jim

    2016-09-01

    This paper gives an introduction to MTDATA, Phase Equilibrium Software from the National Physical Laboratory (NPL), and describes the latest advances in the development of a comprehensive database of thermodynamic parameters to underpin calculations of phase equilibria in large oxide, sulfide, and fluoride systems of industrial interest. The database, MTOX, has been developed over a period of thirty years based upon modeling work at NPL and funded by industrial partners in a project co-ordinated by Mineral Industry Research Organisation. Applications drawn from the fields of modern copper scrap smelting, high-temperature behavior of basic oxygen steelmaking slags, flash smelting of nickel, electric furnace smelting of ilmenite, and production of pure TiO2 via a low-temperature molten salt route are discussed along with calculations to assess the impact of impurities on the uncertainty of fixed points used to realize the SI unit of temperature, the kelvin.

  20. Thermodynamic modelling of phase equilibria in Al–Ga–P–As system

    Indian Academy of Sciences (India)

    S Acharya; J P Hajra

    2005-04-01

    A generalized thermodynamic expression of the liquid Al–Ga–P–As alloys is used in conjunction with the solid solution model in determining the solid–liquid equilibria at 1173 K and 1273 K. The liquid solution model contains thirtyseven parameters. Twentyfour of them pertain to those of the six constituent binaries, twelve refer to the specific ternary interactions. Additionally the liquid solution model also contains a specific quaternary interaction parameter. The latter has been evaluated here based on the experimental data available in the literature. The present research shows an excellent agreement between the derived and experimental values at 1173 K and 1273 K for the system. The article also presents a comparison between the evaluated values with those based on the regular solution model for the liquid alloys.

  1. The Parker instability in axisymmetric filaments: Final equilibria with longitudinal magnetic field

    CERN Document Server

    Sanchez-Salcedo, F J

    2010-01-01

    We study the final equilibrium states of the Parker instability arising from an initially unstable cylindrical equilibrium configuration of gas in the presence of a radial gravitational field and a longitudinal magnetic field. The aim of this work is to compare the properties of the nonlinear final equilibria with those found in a system with Cartesian geometry. Maps of the density and magnetic field lines, when the strength of the gravitational field is constant, are given in both geometries. In the axisymmetric model, the magnetic field tends to expand in radius, forming magnetic arcades, while knots of gas are formed because the plasma drains radially and strangulates the magnetic field lines, leading to the formation of magnetic bottlenecks. We find that the magnetic buoyancy and the drainage of gas along field lines are less efficient under axial symmetry than in a Cartesian atmosphere. As a consequence, the column density enhancement arising in gas condensations in the axially-symmetric model is smaller...

  2. ECOM: a fast and accurate solver for toroidal axisymmetric MHD equilibria

    CERN Document Server

    Lee, Jungpyo

    2014-01-01

    We present ECOM (Equilibrium solver via COnformal Mapping), a fast and accurate fixed boundary solver for toroidally axisymmetric magnetohydrodynamic equilibria with or without a toroidal flow. ECOM combines conformal mapping and Fourier and integral equation methods on the unit disk to achieve exponential convergence for the poloidal flux function as well as its first and second partial derivatives. As a consequence of its high order accuracy, for dense grids and tokamak-like elongations ECOM computes key quantities such as the safety factor and the magnetic shear with higher accuracy than the finite element based code CHEASE [H. L\\"utjens \\textit{et al.}, Computer physics communications 97, 219 (1996)] at equal run time. ECOM has been developed to provide equilibrium quantities and details of the flux contour geometry as inputs to stability, wave propagation and transport codes.

  3. A new geometrical approach to Nash equilibria organization in Eisert's quantum games

    International Nuclear Information System (INIS)

    We extend the periodic point-based method for Eisert's quantum games (Schneider 2011 J. Phys. A: Math. Theor. 44 095301) to games not previously analyzed. From the comparison of different cases, we observe that games sharing the same classical features (as for instance the symmetrized Battle of the Sexes and the Chicken game) can have different characteristics after the quantization, and conversely, games with different classical behaviors (the Chicken game and the Prisoner's dilemma), are completely equivalent within Eisert's protocol. This fact is reflected in the structure of the map that the periodic point-procedure associates to the quantum game (from which the Nash equilibria are deduced). In order to understand how these unexpected outcomes are generated, we give a geometrical description of our observations in terms of bifurcation theory for maps. (paper)

  4. Learning Stationary Correlated Equilibria in Constrained General-Sum Stochastic Games.

    Science.gov (United States)

    Hakami, Vesal; Dehghan, Mehdi

    2016-07-01

    We study constrained general-sum stochastic games with unknown Markovian dynamics. A distributed constrained no-regret Q -learning scheme (CNR Q ) is presented to guarantee convergence to the set of stationary correlated equilibria of the game. Prior art addresses the unconstrained case only, is structured with nested control loops, and has no convergence result. CNR Q is cast as a single-loop three-timescale asynchronous stochastic approximation algorithm with set-valued update increments. A rigorous convergence analysis with differential inclusion arguments is given which draws on recent extensions of the theory of stochastic approximation to the case of asynchronous recursive inclusions with set-valued mean fields. Numerical results are given for the exemplary application of CNR Q to decentralized resource control in heterogeneous wireless networks. PMID:26259228

  5. EFFECT OF PROFILES AND SHAPE ON IDEAL STABILITY OF ADVANCED TOKAMAK EQUILIBRIA

    Energy Technology Data Exchange (ETDEWEB)

    MAKOWSKI,MA; CASPER,TA; FERRON,JR; TAYLOR,TS; TURNBULL,AD

    2003-08-01

    OAK-B135 The pressure profile and plasma shape, parameterized by elongation ({kappa}), triangularity ({delta}), and squareness ({zeta}), strongly influence stability. In this study, ideal stability of single null and symmetric, double-null, advanced tokamak (AT) configurations is examined. All the various shapes are bounded by a common envelope and can be realized in the DIII-D tokamak. The calculated AT equilibria are characterized by P{sub 0}/

    {approx} 2.0-4.5, weak negative central shear, high q{sub min} (> 2.0), high bootstrap fraction, an H-mode pedestal, and varying shape parameters. The pressure profile is modeled by various polynomials together with a hyperbolic tangent pedestal, consistent with experimental observations. Stability is calculated with the DCON code and the resulting stability boundary is corroborated by GATO runs.

  6. Effect of Profiles and Space on Ideal Stability of Advanced Tokamak Equilibria

    Energy Technology Data Exchange (ETDEWEB)

    Makowski, M A; Casper, T A; Ferron, J R; Taylor, T S; Turnbull, A D

    2003-07-07

    The pressure profile and plasma shape, parameterized by elongation ({kappa}), triangularity ({delta}), and squareness ({zeta}), strongly influence stability. In this study, ideal stability of single null and symmetric, double-null, advanced tokamak (AT) configurations is examined. All the various shapes are bounded by a common envelope and can be realized in the DIII-D tokamak. The calculated AT equilibria are characterized by P{sub 0}/{l_angle}P{r_brace} {approx} 2.0-4.5, weak negative central shear, high q{sub min} (>2.0), high bootstrap fraction, an H-mode pedestal, and varying shape parameters. The pressure profile is modeled by various polynomials together with a hyperbolic tangent pedestal, consistent with experimental observations. Stability is calculated with the DCON code and the resulting stability boundary is corroborated by GATO runs.

  7. Imidacloprid sorption kinetics, equilibria, and degradation in sandy soils of Florida.

    Science.gov (United States)

    Leiva, Jorge A; Nkedi-Kizza, Peter; Morgan, Kelly T; Qureshi, Jawwad A

    2015-05-27

    Imidacloprid (IMD) is a neonicotinoid insecticide soil-drenched on sandy soils of southwest Florida for the control of Diaphorina citri Kuwayama or Asian citrus psyllid (ACP). The ACP vectors causal pathogens of a devastating citrus disease called citrus greening. Understanding the behavior of IMD in these soils and plants is critical to its performance against target pests. Samples from Immokalee fine sand (IFS) were used for sorption kinetics and equilibria experiments. IMD kinetics data were described by the one-site mass transfer (OSMT) model and reached equilibrium between 6 and 12 h. Batch equilibrium and degradation studies revealed that IMD was weakly sorbed (K(OC) = 163-230) and persistent, with a half-life of 1.0-2.6 years. Consequently, IMD has the potential to leach below the citrus root zone after the soil-drench applications. PMID:25938475

  8. Semistability of Nonlinear Systems Having a Continuum of Equilibria and Time-Varying Delays

    CERN Document Server

    Hui, Qing

    2010-01-01

    In this paper, we develop a semistability analysis framework for nonlinear systems with time-varying delays with applications to stability analysis of multiagent dynamic networks with consensus protocols in the presence of unknown heterogeneous time-varying delays along the communication links. We show that for such a nonlinear system having a continuum of equilibria, if the system asymptotically converges to a constant time-delay system and this new system is semistable, then the original time-varying delay system is semistable, provided that the delays are just bounded, not necessarily differentiable. In proving our results, we extend the limiting equation approach to the time-varying delay systems and also develop some new convergence results for functional differential equations.

  9. Solid—Liquid Equilibria of Several Binary and Ternary Systems Containing Meleic Anhydride

    Institute of Scientific and Technical Information of China (English)

    MAPeisheng; CHENMingming; 等

    2002-01-01

    Solid-liquid equilibria(SLE) of three binary systems and seven ternary systems containing maleic anhydride(MA) are measured by visual method. The experimental data are compared with the calculated ones with modified universal quasichemical functional group activity coefficient(UNIFAC) method in which the interaction parameters between groups come from two sources,dortmund data bank (DDB), if there′s any,and correlations based on our former presented experimental SLE data of twenty binary systems.New groups of MA,ACCOO group,COO group,>C=O group and cy-CH2 group are defined and the SLE data of maleic anhydride in isopropyl acetate in literature are cited in order to assess the new interaction parameters,correlated with Wilson equation and the λh equation.The modified UNIFAC method with these new regressed interaction parameters is also used to predict other three binary systems containing maleic anhydride.

  10. From one-dimensional fields to Vlasov equilibria: Theory and application of Hermite polynomials

    CERN Document Server

    Allanson, O; Troscheit, S; Wilson, F

    2016-01-01

    We consider the theory and application of a solution method for the inverse problem in collisionless equilibria, namely that of calculating a Vlasov-Maxwell equilibrium for a given macroscopic (fluid) equilibrium. Using Jeans' Theorem, the equilibrium distribution functions are expressed as functions of the constants of motion, in the form of a Maxwellian multiplied by an unknown function of the canonical momenta. In this case it is possible to reduce the inverse problem to inverting Weierstrass transforms, which we achieve by using expansions over Hermite polynomials. A sufficient condition on the pressure tensor is found which guarantees the convergence and the boundedness of the candidate solution, when satisfied. This condition is obtained by elementary means, and it is clear how to put it into practice. We also argue that for a given pressure tensor for which our method applies, there always exists a positive distribution function solution for a sufficiently magnetised plasma. Illustrative examples of th...

  11. Prediction of phase equilibria in the In–Sb–Pb system

    Directory of Open Access Journals (Sweden)

    DUSKO MINIC

    2008-03-01

    Full Text Available Binary thermodynamic data, successfully used for phase diagram calculations of the binary systems In–Sb, Pb–Sb and In–Pb, were used for the prediction of the phase equilibria in the ternary In–Sb–Pb system. The predicted equilibrium phase diagram of the vertical Pb–InSb section was compared with the results of differential thermal analysis DTA and optical microscopy. The calculated phase diagram of the isothermal section at 300 °C was compared with the experimentally (SEM, EDX determined composition of phases in the chosen alloys after annealing. Very good agreement between the binary-based thermodynamic prediction and the experimental data was found in all cases. The calculated liquidus projection of the ternary In–Sb–Pb system is also presented.

  12. On the scarcity of solutions of the equations of magnetohydrodynamic equilibria with flow

    Energy Technology Data Exchange (ETDEWEB)

    Nunez, Manuel [Departamento de Analisis Matematico, Universidad de Valladolid, 47005 Valladolid (Spain)], E-mail: mnjmhd@am.uva.es

    2008-06-16

    While particular analytic solutions to the equations of axisymmetric MHD equilibria with flow are known, it is not clear what possible choosing of the free parameters of the equation of the magnetic flux will yield a solution. The most important of these is the poloidal stream function. We show that for a given flow to be able to yield an equilibrium, the flow itself must satisfy an analogous equation to the generalized Grad-Shafranov one. The problem therefore turns out to be how common are solutions to this type of equations. It is shown that in a natural space of functions, the set of these solutions is contained within a manifold of infinite codimension: extremely small by any criteria. Hence the class of flows for which an equilibrium, even defined only locally and irrespective of boundary conditions, may be found, is highly constrained.

  13. Proteolytic Equilibria of Vanillic Acid in the Ground and Excited States

    Science.gov (United States)

    Vusovich, O. V.; Tchaikovskaya, O. N.; Sokolova, I. V.; Vasil‧eva, N. Yu.

    2016-03-01

    Proteolytic equilibria of vanillic acid in aqueous solutions were studied using electronic spectroscopy. The pH ranges for anionic, dianionic, cationic, and neutral forms of vanillic acid in the ground and excited states were determined. The electron density distribution on atoms in the proteolytic forms was determined using quantum-chemistry methods. The anion formed as a result of dissociation of the carboxylic acid. The dianion formed in the presence of two and more equivalents of alkali as a result of proton loss from the phenol and carboxylic acid. The vanillic acid cation formed via protonation of the carbonyl oxygen. Differences in spectral features of the proteolytic forms in the ground and excited states were observed.

  14. Kinetic simulations of the lowest-order unstable mode of relativistic magnetostatic equilibria

    CERN Document Server

    Nalewajko, Krzysztof; Yuan, Yajie; East, William E; Blandford, Roger D

    2016-01-01

    We present the results of particle-in-cell numerical pair plasma simulations of relativistic 2D magnetostatic equilibria known as the 'ABC' fields. In particular, we focus on the lowest-order unstable configuration consisting of two minima and two maxima of the magnetic vector potential. Breaking of the initial symmetry leads to exponential growth of the electric energy and to the formation of two current layers, which is consistent with the picture of 'X-point collapse' first described by Syrovatskii. Magnetic reconnection within the layers heats a fraction of particles to very high energies. After the saturation of the linear instability, the current layers are disrupted and the system evolves chaotically, diffusing the particle energies in a stochastic second-order Fermi process leading to the formation of power-law energy distributions. The power-law slopes harden with the increasing mean magnetization, but they are significantly softer than those produced in simulations initiated from Harris-type layers....

  15. Free-boundary ideal MHD stability of W7-X divertor equilibria

    Science.gov (United States)

    Nührenberg, C.

    2016-07-01

    Plasma configurations describing the stellarator experiment Wendelstein 7-X (W7-X) are computationally established taking into account the geometry of the test-divertor unit and the high-heat-flux divertor which will be installed in the vacuum chamber of the device (Gasparotto et al 2014 Fusion Eng. Des. 89 2121). These plasma equilibria are computationally studied for their global ideal magnetohydrodynamic (MHD) stability properties. Results from the ideal MHD stability code cas3d (Nührenberg 1996 Phys. Plasmas 3 2401), stability limits, spatial structures and growth rates are presented for free-boundary perturbations. The work focusses on the exploration of MHD unstable regions of the W7-X configuration space, thereby providing information for future experiments in W7-X aiming at an assessment of the role of ideal MHD in stellarator confinement.

  16. Optical trapping by Laguerre-Gaussian beams: Symmetries, stability and equilibria

    CERN Document Server

    Kiselev, Alexei D

    2016-01-01

    We use the T-matrix formalism in combination with the method of far-field matching to evaluate the optical force exerted by Laguerre-Gaussian (LG) light beams on a spherical (Mie) particle. For both non-vortex and optical vortex LG beams, the theoretical results are used to analyze the optical-force-induced dynamics of the scatterer near the trapping points represented by the equilibrium (zero-force) positions. The regimes of linearized dynamics are described in terms of the stiffness matrix spectrum and the damping constant of the ambient medium. For the purely azimuthal LG beams, the dynamics is found to be locally non-conservative and is characterized by the presence of conditionally stable equilibria (unstable zero-force points that can be stabilized by the ambient damping). The effects related to the Mie resonances that under certain conditions manifest themselves as the points changing the trapping properties of the particles are discussed.

  17. High-pressure fluid-phase equilibria: Experimental methods and systems investigated (2005-2008)

    DEFF Research Database (Denmark)

    Fonseca, José; Dohrn, Ralf; Peper, Stephanie

    2011-01-01

    A review of systems is given, for which experimental high-pressure phase-equilibrium data were published in the period between 2005 and 2008, continuing a series of reviews. To find candidates for articles that are of interest for this survey a three-stage search strategy was used including...... a systematic search of the contents of the 17 most important journals of the field. Experimental methods for the investigation of high-pressure phase equilibria were classified, described and illustrated using examples from articles of the period between 2005 and 2008. For the systems investigated......%) have carbon dioxide as one of the components. Information on 206 pure components, 535 ternary systems of which 355 (66%) contain carbon dioxide, 163 multicomponent and complex systems, and 207 systems with hydrates is given. A continuation of the review series is planned, covering the years from 2009...

  18. Liquid-liquid equilibria for polymer solutions and blends, including copolymers

    Energy Technology Data Exchange (ETDEWEB)

    Song, Y.; Hino, T.; Lambert, S.M.; Prausnitz, J.M.

    1995-02-01

    A simplified perturbed hard-sphere-chain (PHSC) theory is applied to interpret, correlate, and (in part) predict liquid-liquid equilibria (LLE) for polymer solutions and blends, including copolymers. The PHSC equation of state uses a hard-sphere-chain reference system plus a van der Waals attractive perturbation. Three pure-component parameters are obtained from readily available thermodynamic properties. Mixture parameters are obtained using pure-component parameters, conventional combining rules, and one or two binary constants. Theoretical and experimental coexistence curves and miscibility maps show good agreement for selected blends containing polymers and copolymers. For LLE of dilute or semi-dilute solvent/polymer solutions, it is necessary to decrease the pure-component polymer chain length, probably because the mean-field approximation is not suitable for such solutions.

  19. Power Allocation Games in Interference Relay Channels: Existence Analysis of Nash Equilibria

    CERN Document Server

    Belmega, E V

    2011-01-01

    We consider a network composed of two interfering point-to-point links where the two transmitters can exploit one common relay node to improve their individual transmission rate. Communications are assumed to be multi-band and transmitters are assumed to selfishly allocate their resources to optimize their individual transmission rate. The main objective of this paper is to show that this conflicting situation (modeled by a non-cooperative game) has some stable outcomes, namely Nash equilibria. This result is proved for three different types of relaying protocols: decode-and-forward, estimate-and-forward, and amplify-and-forward. We provide additional results on the problems of uniqueness, efficiency of the equilibrium, and convergence of a best-response based dynamics to the equilibrium. These issues are analyzed in a special case of the amplify-and-forward protocol and illustrated by simulations in general.

  20. On the question of phase equilibria in the succinonitrile-(D)camphor system

    Science.gov (United States)

    Witusiewicz, V. T.; Hecht, U.; Rex, S.

    2013-07-01

    Alloys from the succinonitrile-(D)camphor (SCN-DC) system are widely used as model alloys for the in situ investigation of solidification using light optical microscopy, but literature on the binary phase diagram is contradictory with respect to the solubility limit of DC in (SCN). Phase equilibria of the system were therefore revisited experimentally and critically assessed in the present work. The results prove that the maximum solubility of DC in the succinonitrile solid solution (SCN) is far less 1 wt% and the volume fraction of the (DC) phase in the eutectic solid is 23.3%. On this basis and on recently reported experimental data the CALPHAD description of the SCN-DC system was re-optimized.

  1. Simulated annealing for three-dimensional low-beta reduced MHD equilibria in cylindrical geometry

    CERN Document Server

    Furukawa, M

    2016-01-01

    Simulated annealing (SA) is applied for three-dimensional (3D) equilibrium calculation of ideal, low-beta reduced MHD in cylindrical geometry. The SA is based on the theory of Hamiltonian mechanics. The dynamical equation of the original system, low-beta reduced MHD in this study, is modified so that the energy changes monotonically while preserving the Casimir invariants in the artificial dynamics. An equilibrium of the system is given by an extremum of the energy, therefore SA can be used as a method for calculating ideal MHD equilibrium. Previous studies demonstrated that the SA succeeds to lead to various MHD equilibria in two dimensional rectangular domain. In this paper, the theory is applied to 3D equilibrium of ideal, low-beta reduced MHD. An example of equilibrium with magnetic islands, obtained as a lower energy state, is shown. Several versions of the artificial dynamics are developed that can effect smoothing.

  2. Generalized magnetotail equilibria: Effects of the dipole field, thin current sheets, and magnetic flux accumulation

    Science.gov (United States)

    Sitnov, M. I.; Merkin, V. G.

    2016-08-01

    Generalizations of the class of quasi-1-D solutions of the 2-D Grad-Shafranov equation, first considered by Schindler in 1972, are investigated. It is shown that the effect of the dipole field, treated as a perturbation, can be included into the original 1972 class solution by modification of the boundary conditions. Some of the solutions imply the formation of singularly thin current sheets. Equilibrium solutions for such sheets resolving their singular current structure on the scales comparable to the thermal ion gyroradius can be obtained assuming anisotropic and nongyrotropic plasma distributions. It is shown that one class of such equilibria with the dipole-like boundary perturbation describes bifurcation of the near-Earth current sheet. Another class of weakly anisotropic equilibria with thin current sheets embedded into a thicker plasma sheet helps explain the formation of thin current sheets in a relatively distant tail, where such sheets can provide ion Landau dissipation for spontaneous magnetic reconnection. The free energy for spontaneous reconnection can be provided due to accumulation of the magnetic flux at the tailward end of the closed field line region. The corresponding hump in the normal magnetic field profile Bz(x,z = 0) creates a nonzero gradient along the tail. The resulting gradient of the equatorial magnetic field pressure is shown to be balanced by the pressure gradient and the magnetic tension force due to the higher-order correction of the latter in the asymptotic expansion of the tail equilibrium in the ratio of the characteristic tail current sheet variations across and along the tail.

  3. Spectroscopic studies on U(VI)-salicylate complex formation with multiple equilibria

    Energy Technology Data Exchange (ETDEWEB)

    Cha, W.; Cho, H.R.; Jung, E.C.; Park, K.K.; Kim, W.H.; Song, K. [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of). Nuclear Chemistry Research Div.

    2012-07-01

    This study investigates multiple equilibria related to the formation of the U(VI)-salicylate complex in a pH range of 3.0-5.5 using UV-Vis absorption and fluorescence measurement techniques. The absorbance changes at the characteristic charge-transfer bands of the complex were monitored, and the results indicated the presence of multiple equilibria and the formation of both 1:1 and 1:2 (U(VI):salicylate) complexes possessing bi-dentate chelate structures. The determined step-wise formation constants (log K{sub 1:1} and log K{sub 1:2}) are as follows: 12.5 {+-} 0.1 and 11.4 {+-} 0.2 for salicylate, 11.2 {+-} 0.1 and 10.1 {+-} 0.2 for 5-sulfosalicylate, and 12.4 {+-} 0.1 and 11.4 {+-} 0.1 for 2,6-dihydroxybenzoate, respectively. The molar absorptivities of the complexes are also provided. Furthermore, time-resolved laser-induced luminescence spectra of U(VI) species demonstrate the presence of both a dynamic and static quenching process upon the addition of a salicylate ligand. Particularly for the luminescent hydroxouranyl species, a strong static quenching effect is observed. The results suggest that both the UO{sub 2}(HSal){sup +} and the U(VI)-Sal chelate complexes serve as ground-state complexes that induce static quenching. The Stern-Volmer parameters were derived based on the measured luminescent intensity and lifetime data. The static quenching constants (log K{sub S}) obtained are 3.3 {+-} 0.1, 4.9 {+-} 0.1, and 4.4 {+-} 0.1 for UO{sub 2}{sup 2+}, (UO{sub 2}){sub 2}(OH){sub 2}{sup 2+} and (UO{sub 2}){sub 3}(OH){sub 5}{sup +}, respectively. (orig.)

  4. Acid-Base Chemistry of White Wine: Analytical Characterisation and Chemical Modelling

    Directory of Open Access Journals (Sweden)

    Enrico Prenesti

    2012-01-01

    Full Text Available A chemical model of the acid-base properties is optimized for each white wine under study, together with the calculation of their ionic strength, taking into account the contributions of all significant ionic species (strong electrolytes and weak one sensitive to the chemical equilibria. Coupling the HPLC-IEC and HPLC-RP methods, we are able to quantify up to 12 carboxylic acids, the most relevant substances responsible of the acid-base equilibria of wine. The analytical concentration of carboxylic acids and of other acid-base active substances was used as input, with the total acidity, for the chemical modelling step of the study based on the contemporary treatment of overlapped protonation equilibria. New protonation constants were refined (L-lactic and succinic acids with respect to our previous investigation on red wines. Attention was paid for mixed solvent (ethanol-water mixture, ionic strength, and temperature to ensure a thermodynamic level to the study. Validation of the chemical model optimized is achieved by way of conductometric measurements and using a synthetic “wine” especially adapted for testing.

  5. Petrology, phase equilibria and monazite geochronology of granulite-facies metapelites from deep drill cores in the Ordos Block of the North China Craton

    Science.gov (United States)

    He, Xiao-Fang; Santosh, M.; Bockmann, Kiara; Kelsey, David E.; Hand, Martin; Hu, Jianmin; Wan, Yusheng

    2016-10-01

    Among the various Precambrian crustal blocks in the North China Craton (NCC), the geology and evolution of the Ordos Block remain largely enigmatic due to paucity of outcrop. Here we investigate granulite-facies metapelites obtained from deep-penetrating drill holes in the Ordos Block and report petrology, calculated phase equilibria and in-situ monazite LA-ICP-MS geochronology. The rocks we studied are two samples of cordierite-bearing garnet-sillimanite-biotite metapelitic gneisses and one graphite-bearing, two-mica granitic gneiss. The peak metamorphic age from LA-ICP-MS dating of monazite in all three samples is in the range of 1930-1940 Ma. The (U + Pb)-Th chemical ages through EPMA dating reveals that monazite occurring as inclusions in garnet are older than those in the matrix. Calculated metamorphic phase diagrams for the cordierite-bearing metapelite suggest peak P-T conditions ca. 7-9 kbar and 775-825 °C, followed by decompression and evolution along a clockwise P-T path. Our petrologic and age data are consistent with those reported from the Khondalite Belt in the Inner Mongolia Suture Zone in the northern part of the Ordos Block, suggesting that these granulite-facies metasediments represent the largest Paleoproterozoic accretionary belt in the NCC.

  6. Progress in study on phase equilibria of salt-water systems%水盐体系相平衡研究进展

    Institute of Scientific and Technical Information of China (English)

    张杰; 史学伟; 赵双良; 宋兴福; 于建国

    2016-01-01

    水盐体系相平衡与相图是无机盐化工的理论基础,对水盐体系相平衡的研究可为盐湖盐类资源的综合开发利用提供理论支持。从水盐体系相平衡实验和理论研究两个方面,综述了近期国内外相关研究进展及研究方法。重点介绍了稳定相平衡和介稳相平衡体系相图测定方法及特点,概述了相区间和结晶类型变化的影响因素;从热力学模型法、统计力学理论和分子模拟3个方面介绍了水盐体系相平衡的理论研究思路及基于液-固化学势平衡的研究现状,并讨论了3类方法在相平衡研究上的可能发展方向。最后总结了该领域的一些研究热点,并对水盐体系相平衡的研究趋势作了展望。%The phase equilibria and phase diagrams of salt-water systems constitute the theoretical basis for chemical industry of inorganic salts. The fundamental studies on the phase equilibrium can provide firm support for the comprehensive development and utilization of salt lake salt resources. In this paper, the recent domestic and international research advances and methods on phase equilibria of slat-water systems from both experimental and theoretical perspectives are summarized. In particular, the experimental methods on the determination of phase diagrams for stable and metastable phase equilibrium systems as well as the factors which cause the change of phase interval and solid crystal type are presented. In addition, based on the up-to-date theoretical methods including thermodynamic models, statistical mechanics theories and computer simulations, the outline of their principles, current situations and possible extensions toward the investigation of stable and metastable phase equilibrium systems are introduced. Finally, the research hotspots in this domain are discussed along with the expectations on the future development.

  7. Free Energy Minimization Calculation of Complex Chemical Equilibria. Reduction of Silicon Dioxide with Carbon at High Temperature.

    Science.gov (United States)

    Wai, C. M.; Hutchinson, S. G.

    1989-01-01

    Discusses the calculation of free energy in reactions between silicon dioxide and carbon. Describes several computer programs for calculating the free energy minimization and their uses in chemistry classrooms. Lists 16 references. (YP)

  8. QUIL: a chemical equilibrium code. [HTGR

    Energy Technology Data Exchange (ETDEWEB)

    Lunsford, J.L.

    1977-02-01

    A chemical equilibrium code QUIL is described, along with two support codes FENG and SURF. QUIL is designed to allow calculations on a wide range of chemical environments, which may include surface phases. QUIL was written specifically to calculate distributions associated with complex equilibria involving fission products in the primary coolant loop of the high-temperature gas-cooled reactor. QUIL depends upon an energy-data library called ELIB. This library is maintained by FENG and SURF. FENG enters into the library all reactions having standard free energies of reaction that are independent of concentration. SURF enters all surface reactions into ELIB. All three codes are interactive codes written to be used from a remote terminal, with paging control provided. Plotted output is also available.

  9. Numerical and experimental studies of attractors in memristor-based Chua's oscillator with a line of equilibria. Noise-induced effects

    Science.gov (United States)

    Semenov, V.; Korneev, I.; Arinushkin, P.; Strelkova, G.; Vadivasova, T.; Anishchenko, V.

    2015-07-01

    The intrinsic features of systems with a line of equilibria are analyzed by studying of memristor-based Chua's oscillator. The analog modeling of the system is carried out together with its numerical simulation. The characteristics of stochastic oscillations in the system under study are explored in the presence of noise. The issues concerning the physical realization of a system with a line of equilibria are also considered.

  10. Semiclassical spectral series of a quantum Schrödinger operator corresponding to a singular circle composed of equilibria

    Science.gov (United States)

    Chernyshev, V. L.

    2016-07-01

    On a two-dimensional surface, a Schrödinger operator is considered with a potential whose critical points form a closed curve. We pose the problem of describing the semiclassical spectral series corresponding to this curve. The standard construction for describing the spectral series corresponding to isolated nondegenerate equilibria or to periodic trajectories of Hamiltonian systems is not applicable in this situation. In the paper, a description of semiclassical solutions of the spectral problem for the quantum Schrödinger operator that correspond to nonisolated equilibria are presented and, to calculate the splitting of the eigenvalues, it turns out to be necessary to find the spectral series with a higher order of accuracy than it is usually required.

  11. Chemical Emergencies

    Science.gov (United States)

    When a hazardous chemical has been released, it may harm people's health. Chemical releases can be unintentional, as in the case of an ... the case of a terrorist attack with a chemical weapon. Some hazardous chemicals have been developed by ...

  12. New Approach to the Stability of Chemical Reaction Networks: Piecewise Linear in Rates Lyapunov Functions

    OpenAIRE

    Al-Radhawi, M. Ali; Angeli, David

    2014-01-01

    Piecewise-Linear in Rates (PWLR) Lyapunov functions are introduced for a class of Chemical Reaction Networks (CRNs). In addition to their simple structure, these functions are robust with respect to arbitrary monotone reaction rates, of which mass-action is a special case. The existence of such functions ensures the convergence of trajectories towards equilibria, and guarantee their asymptotic stability with respect to the corresponding stoichiometric compatibility class. We give the definiti...

  13. Isobaric (vapor + liquid) equilibria of 1-ethyl-3-methylimidazolium ethylsulfate plus (propionaldehyde or valeraldehyde): Experimental data and prediction

    Energy Technology Data Exchange (ETDEWEB)

    Alvarez, Victor H. [School of Chemical Engineering, University of Campinas (UNICAMP), Av. Albert Einstein 500, 13083-852 Campinas, SP (Brazil); Mattedi, Silvana [Chemical Engineering Department, Polytechnic School, Federal University of Bahia (UFBA), R. Aristides Novis 2, 40210-630 Salvador, BA (Brazil); Aznar, Martin, E-mail: maznar@feq.unicamp.b [School of Chemical Engineering, University of Campinas (UNICAMP), Av. Albert Einstein 500, 13083-852 Campinas, SP (Brazil)

    2011-06-15

    Research highlights: We report density, refraction index, and VLE for (propionaldehyde or valeraldehyde) + [emim][EtSO{sub 4}]. The Peng-Robinson + Wong-Sandler + COSMO-SAC model was used to predict density and VLE. The densities were predicted with deviations below than 2.3%. The experimental VLE was predicted with deviations below than 1.6%. - Abstract: This paper reports the density, refraction index, and (vapor + liquid) equilibria (VLE) for binary systems {l_brace}aldehyde + 1-ethyl-3-methylimidazolium ethylsulfate ([emim][EtSO{sub 4}]){r_brace}: {l_brace}propionaldehyde + [emim][EtSO{sub 4}]{r_brace} and {l_brace}valeraldehyde + [emim][EtSO{sub 4}]{r_brace}. The uncertainties for the temperature, pressure, and compositions measurements for the phase equilibria are {+-}0.1 K, {+-}0.01 kPa and {+-}0.0004, respectively. A qualitative analysis of the variation of the properties with changes in solvent and temperature was performed. The Peng-Robinson equation of state (PR EoS), coupled with the Wong-Sandler mixing rule (WS), is used to describe the experimental data. To calculate activity coefficients we used three different models: NRTL, UNIQUAC, and COSMO-SAC. Since the predictive liquid activity coefficient model COSMO-SAC is used in the Wong-Sandler mixing rule, the resulting thermodynamic model is a completely predictive one. The prediction results for the density and for the (vapor + liquid) equilibria have a deviation lower than 2.3% and 1.6%, respectively. The (vapor + liquid) equilibria predictions show a good description for the propionaldehyde system and only a qualitative description for the valeraldehyde system.

  14. Correlation of phase equilibria for water + hydrocarbon systems at high temperatures and pressures by cubic equation of state

    Energy Technology Data Exchange (ETDEWEB)

    Haruki, Masashi; Yahiro, Yukihito; Higashi, Hidenori; Iwai, Yoshio; Arai, Yasuhiko [Kyushu University, FUkuoka (Japan). Graduate School of Engineering

    1999-08-01

    A modified-Soave-Redlich-Kwong (MSRK) equation of state with an exponent-type mixing rule for the energy parameter and a conventional rule for the size parameter is applied to correlate the phase equilibria for four binary mixtures of water + hydrocarbon (benzene, hexane, decane, and dodecane) systems at high temperatures and pressures. It is noted that good correlation results are obtained by using the mixing rules with interaction parameters between unlike molecules. (author)

  15. Ab initio Investigations of the Equilibria between Trichlorothioacetyl Chloride, Tetrachlorothiirane, and Trichloroethenesulfenyl Chloride, their Reactants and Decomposition Products

    DEFF Research Database (Denmark)

    Pedersen, Kim Vestergaard; Christensen, Henrik; Shim, Irene;

    2004-01-01

    Trichlorothioacetyl chloride 1, tetrachlorothiirane 2, and trichloroethenesulfenyl chloride 3 and the equilibria between them have been investigated by ab initio Hartree-Fock (HF), Møller-Plesset second order perturbation (MP2) calculations, and by Gaussian-3 theory, G3(MP2). The transition state...... of the isomerization reactions have been identified. Also investigated were possible reactions leading to the isomers and their possible decomposition products. The results show that the unobserved isomerization reactions are feasible....

  16. Thermodynamic characteristics of acid-base equilibria of DL-α-alanyl-DL-norleucine in aqueous solutions at 298 K

    Science.gov (United States)

    Lytkin, A. I.; Chernikov, V. V.; Krutova, O. N.; Bychkova, S. A.; Skvortsov, I. A.

    2015-09-01

    Protolytic equilibria in aqueous solutions of DL-α-alanyl-DL-norleucine are studied via potentiometry and calorimetry. Measurements are made at 298.15 K and ionic strengths of 0.5, 1.0, and 1.5 (against a background of potassium nitrate). The thermodynamic characteristics (p K, Δ G, Δ H, Δ S) of the stepwise dissociation of the dipeptide both in aqueous-salt solutions and in standard solution are obtained for the first time.

  17. Binary, ternary and quaternary liquid-liquid equilibria in 1-butanol, oleic acid, water and n-heptane mixtures

    OpenAIRE

    Winkelman, J.G.M.; Kraai, G. N.; Heeres, H. J.

    2009-01-01

    This work reports on liquid-liquid equilibria in the system 1-butanol, oleic acid, water and n-heptane used for biphasic, lipase catalysed esterifications. The literature was studied on the mutual solubility in binary systems of water and each of the organic components. Experimental results were obtained on the composition of the coexisting phases of a series of ternary and quaternary mixtures of the components at 301,308 and 313 K. The data were correlated successfully with the UNIQUAC model...

  18. Effect of Resonant Magnetic Perturbations on 3D equilibria in the MST RFP

    Science.gov (United States)

    Munaretto, Stefano

    2015-11-01

    The orientation of 3D, stellarator-like equilibria in the MST RFP can now be controlled with application of an m = 1 RMP. This has led to greatly improved diagnosis, revealing enhancements in both the central electron temperature and density. Coupled to a recent advance in the V3FIT code, reconstructions of the 3D equilibria have also been dramatically improved. The RMP also inhibits the generation of high-energy >20 keV electrons that is otherwise common with the 3D state. This state occurs when the normally broad spectrum of core-resonant m = 1 tearing modes condenses, with the innermost resonant mode growing to large amplitude, reaching ~ 8% of the axisymmetric field strength. This occurs in plasmas of sufficiently large Lundquist number ~ IpTe3/2, and the duration of the state is maximized with zero applied Bt (infinite toroidal beta). As the dominant mode grows, eddy current in MST's conducting shell slows the mode's rotation. This leads to locking of the 3D structure, but with an orientation that varies randomly shot to shot, making diagnosis difficult. An m = 1 RMP can now be applied with an array of saddle coils at the vertical insulated cut in the shell. With an amplitude br/B ~ 10% and a tailored temporal waveform, the RMP can force the 3D structure into any desired orientation relative to MST's diagnostics. A recent advance in V3FIT allows calculation of the substantial helical image current flowing in MST's shell, which has in turn allowed self-consistent utilization of both external and internal (Faraday rotation) measurements of the magnetic field. The ORBIT code predicts reduced stochasticity and improved confinement of high-energy electrons within the 3D structure. The suppression of these electrons by the m = 1 RMP may reflect a change to the central magnetic topology. The generation of these electrons is unaffected by non-resonant perturbations, such as m = 3. Supported by the US DOE.

  19. Measurement and modeling of high-pressure (vapor + liquid) equilibria of (CO{sub 2} + alkanol) binary systems

    Energy Technology Data Exchange (ETDEWEB)

    Bejarano, Arturo; Gutierrez, Jorge E. [Departamento de Ingenieria Quimica y Ambiental, Universidad Tecnica Federico Santa Maria, Avda. Espana 1680, Valparaiso (Chile); Araus, Karina A. [Departamento de Ingenieria Quimica y Bioprocesos, Pontificia Universidad Catolica de Chile, Avda. Vicuna Mackenna 4860, Macul, Santiago (Chile); Fuente, Juan C. de la, E-mail: juan.delafuente@usm.c [Departamento de Ingenieria Quimica y Ambiental, Universidad Tecnica Federico Santa Maria, Avda. Espana 1680, Valparaiso (Chile); Centro Regional de Estudios en Alimentos Saludables, Blanco 1623, Valparaiso (Chile)

    2011-05-15

    Research highlights: (Vapor + liquid) equilibria of three (CO{sub 2} + C{sub 5} alcohol) binary systems were measured. Complementary data are reported at (313, 323 and 333) K and from (2 to 11) MPa. No liquid immiscibility was observed at the temperatures and pressures studied. Experimental data were correlated with the PR-EoS and the van de Waals mixing rules. Correlation results showed relative deviations {<=}8 % (liquid) and {<=}2 % (vapor). - Abstract: Complementary isothermal (vapor + liquid) equilibria data are reported for the (CO{sub 2} + 3-methyl-2-butanol), (CO{sub 2} + 2-pentanol), and (CO{sub 2} + 3-pentanol) binary systems at temperatures of (313, 323, and 333) K, and at pressure range of (2 to 11) MPa. For all (CO{sub 2} + alcohol) systems, it was visually monitored that there was no liquid immiscibility at the temperatures and pressures studied. The experimental data were correlated with the Peng-Robinson equation of state using the quadratic mixing rules of van der Waals with two adjustable parameters. The calculated (vapor + liquid) equilibria compositions were found to be in good agreement with the experimental data with deviations for the mole fractions <8% and <2% for the liquid and vapor phase, respectively.

  20. Phase equilibria in the YbTe–Sb{sub 2}Te{sub 3}–Te system

    Energy Technology Data Exchange (ETDEWEB)

    Aliev, Ziya S., E-mail: ziyasaliev@gmail.com [Baku State University, General and Inorganic Chemistry Department, Baku (Azerbaijan); Institute of Physics, Azerbaijan National Academy of Science, Baku (Azerbaijan); Ibadova, Gulnara I. [Baku State University, General and Inorganic Chemistry Department, Baku (Azerbaijan); Tedenac, Jean-Claude [University of Montpellier II, ICGM UMR 5253, Montpellier (France); Babanly, Mahammad B. [Baku State University, General and Inorganic Chemistry Department, Baku (Azerbaijan); Institute of Catalysis and Inorganic Chemistry, Azerbaijan National Academy of Science, Baku (Azerbaijan)

    2015-01-05

    Highlights: • The phase diagram of the YbTe–Sb{sub 2}Te{sub 3}–Te sub-system relates to the invariant eutectic type. • The primary crystallization fields of phases, the character and temperatures of the invariant equilibria were determined. • The existence of the ternary compound YbSb{sub 2}Te{sub 4} and YbSb{sub 2}Te{sub 4} were not confirmed. - Abstract: The phase equilibria in the YbTe–Sb{sub 2}Te{sub 3}–Te system were investigated by means of differential thermal analysis (DTA), X-ray diffraction (XRD) and scanning electron microscope with energy dispersive analysis (SEM-EDS) techniques. Two isopleth sections and liquidus surface projection were constructed. The primary crystallization fields of phases, the character and temperatures of the invariant and monovariant processes were determined. No new ternary compound was found in this system and moreover, known ternary compounds YbSb{sub 2}Te{sub 4} and YbSb{sub 4}Te{sub 7} were not confirmed. The newly determined phase equilibria in this sub-system will provide important information for the future construction of self-consistent phase diagram of the ternary Yb–Sb–Te system in the entire concentration range.

  1. Measurement and modeling of high-pressure (vapour + liquid) equilibria of (CO{sub 2} + alcohol) binary systems

    Energy Technology Data Exchange (ETDEWEB)

    Gutierrez, Jorge E.; Bejarano, Arturo [Departamento de Ingenieria Quimica y Ambiental, Universidad Tecnica Federico Santa Maria, Avda. Espana 1680, Valparaiso (Chile); Fuente, Juan C. de la, E-mail: juan.delafuente@usm.c [Departamento de Ingenieria Quimica y Ambiental, Universidad Tecnica Federico Santa Maria, Avda. Espana 1680, Valparaiso (Chile); Centro Regional de Estudios en Alimentos Saludables, Blanco 1623, Valparaiso (Chile)

    2010-05-15

    An apparatus based on a static-analytic method assembled in this work was utilized to perform high pressure (vapour + liquid) equilibria measurements with uncertainties estimated at <5%. Complementary isothermal (vapour + liquid) equilibria results are reported for the (CO{sub 2} + 1-propanol), (CO{sub 2} + 2-methyl-1-propanol), (CO{sub 2} + 3-methyl-1-butanol), and (CO{sub 2} + 1-pentanol) binary systems at temperatures of (313, 323, and 333) K, and at pressure range of (2 to 12) MPa. For all the (CO{sub 2} + alcohol) systems, it was visually monitored to insure that there was no liquid immiscibility at the temperatures and pressures studied. The experimental results were correlated with the Peng-Robinson equation of state using the quadratic mixing rules of van der Waals with two adjustable parameters. The calculated (vapour + liquid) equilibria compositions were found to be in good agreement with the experimental values with deviations for the mol fractions <0.12 and <0.05 for the liquid and vapour phase, respectively.

  2. A THEORETICAL STUDY ON THE MULTIPLE EQUILIBRIA OF TROPICAL ATMOSPHERE AND THEIR RELATION TO THE ONSET OF THE SUMMER MONSOON

    Institute of Scientific and Technical Information of China (English)

    ZHAO Nan; DING Yi-hui; Masaaki Takahashi; SHEN Xin-yong

    2006-01-01

    Multiple equilibria and their stability in tropical atmosphere are investigated through β -plane barotropic models with consideration of heating and dissipation. We have derived the solutions of the model equations corresponding to the multiple equilibria or the steady flows first, and then establish the criteria for the stability of steady flow by use of the Liapunov direct Method. When these criteria are applied to the solutions of equilibria obtained, stable flows, which are closely related to the different patterns of quasi-stationary circulation in the tropical region, are found. The configurations of these stable flows and the shift between two of them as season changes provide quite reasonable explanations to many fundamental problems of tropical circulation features such as the catastrophe mechanism of the onset and the break-active cycle of the Asian summer monsoon. It follows that the onset or the abrupt transition of the Asian summer monsoon could be attributed to the multiple equilibrium property of the tropical circulation resulted from the advective nonlinearity, which provide another explanation among others.

  3. The Influenza M2 Ectodomain Regulates the Conformational Equilibria of the Transmembrane Proton Channel: Insights from Solid-State Nuclear Magnetic Resonance.

    Science.gov (United States)

    Kwon, Byungsu; Hong, Mei

    2016-09-27

    The influenza M2 protein is the target of the amantadine family of antiviral drugs, and its transmembrane (TM) domain structure and dynamics have been extensively studied. However, little is known about the structure of the highly conserved N-terminal ectodomain, which contains epitopes targeted by influenza vaccines. In this study, we synthesized an M2 construct containing the N-terminal ectodomain and the TM domain, to understand the site-specific conformation and dynamics of the ectodomain and to investigate the effect of the ectodomain on the TM structure. We incorporated (13)C- and (15)N-labeled residues into both domains and measured their chemical shifts and line widths using solid-state nuclear magnetic resonance. The data indicate that the entire ectodomain is unstructured and dynamic, but the motion is slower for residues closer to the TM domain. (13)C line shapes indicate that this ecto-TM construct undergoes fast uniaxial rotational diffusion, like the isolated TM peptide, but drug binding increases the motional rates of the TM helix while slowing the local motion of the ectodomain residues that are close to the TM domain. Moreover, (13)C and (15)N chemical shifts indicate that the ectodomain shifts the conformational equilibria of the TM residues toward the drug-bound state even in the absence of amantadine, thus providing a molecular structural basis for the lower inhibitory concentration of full-length M2 compared to that of the ectodomain-truncated M2. We propose that this conformational selection may result from electrostatic repulsion between negatively charged ectodomain residues in the tetrameric protein. Together with the recent study of the M2 cytoplasmic domain, these results show that intrinsically disordered extramembrane domains in membrane proteins can regulate the functionally relevant conformation and dynamics of the structurally ordered TM domains.

  4. Phase equilibria of HP-UHP mica-schists in Jiangling,Eastern Dabieshan orogen

    Institute of Scientific and Technical Information of China (English)

    Hang Chu; Chunjing Wei; Shangguo Su

    2009-01-01

    The HP-UHP metamorphic terrane of Jiangling, eastern Dabieshan comprises extensively distributed granitic gneisses, mica-schists and numerous eclogite blocks. The mica-schists generally contain garnet, phengitic muscovite, biotite, plagioclase, quartz, rutile and a small amount of epidote and hornblende. Study on petrography and phases equilibria in the NCKMnFMASH system indicates that the present mineral assemblages in mica-schists are not in equilibrium. The earlier stage of mineral assemblage represented by garnet and phengite reflects a HP-UHP condition. The garnet compositions and the phengite Si contents give a PT condition of 580-00 ℃ at 2.6-2.8 GPa. The garnet zonation records an earlier progressive metamorphic process which may be associated with the appearance of glaucophane, jadeite and lawsonite. The later stage of mineral assemblage characterized by the presence of biotite and plagioclase reflects a PT condition of 620-635℃ at 0.9-1.1 GPa, belonging to the HP amphibolite facies. The main mineral assemblage in mica-schists from the Jiangling region has recorded a complete HP-UHP metamorphic process.

  5. Stability of relativistic laminar flow equilibria for electrons drifting in crossed fields

    International Nuclear Information System (INIS)

    The stability of the electron flow in magnetically insulated transmission lines and diodes, and in microwave devices is an important issue. Presented in this paper are the results of an electromagnetic, linear stability analysis of transverse magnetic waves propagating along the direction of electron drift in a planar system described by a relativistic laminar flow equilibrium. In general, this equilibrium features cold electrons executing E x B drifts in self-consistently calculated electromagnetic fields. For this paper, a class of laminar flow equilibria in which the relativistic plasma and cyclotron frequencies are multiples of one another was chosen, and the electrons were taken to be confined to a layer placed in a vacuum gap between two conductors. This configuration is driven unstable by two separate mechanisms which tap the free energy associated with the sheared velocity field of the layer. At long wavelengths, the interaction of positive and negative energy surface waves results in the diocotron instability. At shorter wavelengths, the interaction of surface waves and sheets of electrons resonant at the local Doppler-shifted cyclotron frequencies leads to a pair of unstable branches of the dispersion relation which are referred to collectively as the magnetron instability. The scaling of the growth rates with equilibrium parameters and the relative importance of the two instabilities are discussed

  6. Phase Equilibria of the Fe-Ni-Sn Ternary System at 270°C

    Science.gov (United States)

    Huang, Tzu-Ting; Lin, Shih-Wei; Chen, Chih-Ming; Chen, Pei Yu; Yen, Yee-Wen

    2016-07-01

    The Fe-42 wt.% Ni alloy, also known as a 42 invar alloy (Alloy 42), is used as a lead-frame material because its thermal expansion coefficient is much closer to Si substrate than Cu or Ni substrates. In order to enhance the wettability between the substrate and solder, the Sn layer was commonly electroplated onto the Alloy 42 surface. A clear understanding of the phase equilibria of the Fe-Ni-Sn ternary system is necessary to ensure solder-joint reliability between Sn and Fe-Ni alloys. To determine the isothermal section of the Fe-Ni-Sn ternary system at 270°C, 26 Fe-Ni-Sn alloys with different compositions were prepared. The experimental results confirmed the presence of the Fe3Ni and FeNi phases at 270°C. Meanwhile, it observed that the isothermal section of the Fe-Ni-Sn ternary system was composed of 11 single-phase regions, 19 two-phase regions and nine tie-triangles. Moreover, no ternary compounds were found in the Fe-Ni-Sn system at 270°C.

  7. DETERMINATION OF SOLID-LIQUID EQUILIBRIA DATA FOR MIXTURES OF HEAVY HYDROCARBONS IN A LIGHT SOLVENT

    Energy Technology Data Exchange (ETDEWEB)

    F.V. Hanson; J.V. Fletcher; Karthik R.

    2003-06-01

    A methodology was developed using an FT-IR spectroscopic technique to obtain solid-liquid equilibria (SLE) data for mixtures of heavy hydrocarbons in significantly lighter hydrocarbon diluents. SLE was examined in multiple Model Oils that were assembled to simulate waxes. The various Model oils were comprised of C-30 to C-44 hydrocarbons in decane. The FT-IR technique was used to identify the wax precipitation temperature (WPT). The DSC technique was also used in the identification of the onset of the two-phase equilibrium in this work. An additional Model oil made up of C-20 to C-30 hydrocarbons in decane was studied using the DSC experiment. The weight percent solid below the WPT was calculated using the FT-IR experimental results. The WPT and the weight percent solid below the WPT were predicted using an activity coefficient based thermodynamic model. The FT-IR spectroscopy method is found to successfully provide SLE data and also has several advantages over other laboratory-based methods.

  8. Experimental investigation of phase equilibria in the Cu–Ni–Si ternary system

    International Nuclear Information System (INIS)

    Highlights: •Three isothermal sections of the Cu–Ni–Si system have been investigated. •The ternary compound τ1 and the liquid phase are confirmed at 1073 K. •The γ (Cu5Si) and θ (Ni2Si) phases can be stabilized at higher or lower temperatures. -- Abstract: The phase equilibria in the Cu–Ni–Si ternary system have been investigated experimentally by means of electron probe microanalysis (EPMA), X-ray diffraction (XRD) and differential scanning calorimetry (DSC) analysis on equilibrated ternary alloys. Three isothermal sections at 1073, 1173 and 1273 K are determined in the whole composition range. The existence of liquid phase and the ternary compound τ1 is confirmed at 1073 K. The binary γ (Cu5Si), γ (Ni31Si12), δ (Ni2Si) and θ (Ni2Si) phases exhibit a considerable solubility of a third element. In addition, the γ (Cu5Si) and θ (Ni2Si) phases can be stabilized by the addition of Ni and Cu, respectively

  9. Thermodynamics of mixtures containing alkoxyethanols. XXVIII: Liquid-liquid equilibria for 2-phenoxyethanol + selected alkanes

    Energy Technology Data Exchange (ETDEWEB)

    Alonso, Victor; Garcia, Mario [G.E.T.E.F., Grupo Especializado en Termodinamica de Equilibrio entre Fases, Departamento de Fisica Aplicada, Facultad de Ciencias, Universidad de Valladolid, E-47071 Valladolid (Spain); Gonzalez, Juan Antonio, E-mail: jagl@termo.uva.es [G.E.T.E.F., Grupo Especializado en Termodinamica de Equilibrio entre Fases, Departamento de Fisica Aplicada, Facultad de Ciencias, Universidad de Valladolid, E-47071 Valladolid (Spain); Garcia De La Fuente, Isaias; Cobos, Jose Carlos [G.E.T.E.F., Grupo Especializado en Termodinamica de Equilibrio entre Fases, Departamento de Fisica Aplicada, Facultad de Ciencias, Universidad de Valladolid, E-47071 Valladolid (Spain)

    2011-07-10

    Highlights: {yields} LLE coexistence curves were determined for mixtures of 2PhEE with alkanes. {yields} UCST values are higher for n-alkane systems than for solutions with cyclic alkanes. {yields} For the latter mixtures, UCST increases with the size of the alkyl group attached. {yields} Alkoxyethanol-alkoxyethanol interactions are enhanced by aromatic group in cellosolve. - Abstract: The coexistence curves of the liquid-liquid equilibria (LLE) for systems of 2-phenoxyethanol (2PhEE) with heptane, octane, cyclohexane, methylcyclohexane or ethylcyclohexane have been determined by the method of the critical opalescence using a laser scattering technique. All the curves show an upper critical solution temperature (UCST), have a rather horizontal top and their symmetry depends on the relative size of the mixture compounds. UCST values are higher for systems with linear alkanes than for solutions including cyclic alkanes. For these mixtures, the UCST increases with the size of the alkyl group attached to the cyclic part of the molecule. It is shown that interactions between alkoxyethanol molecules are stronger when the hydroxyether contains an aromatic group. Data are used to determine the critical exponent for the order parameter mole fraction. Values obtained are consistent with those provided by the Ising model or by the renormalization group theory.

  10. Phase equilibria and thermodynamic functions for Ag–Hg and Cu–Hg binary systems

    International Nuclear Information System (INIS)

    Highlights: ► The thermodynamic properties of Ag–Hg and Cu–Hg are explored in order to facilitate dental materials design. ► A self-consistent set of thermodynamic parameters is obtained. ► The experimental information can be well reproduced by the optimized thermodynamic data. - Abstract: In order to facilitate the computational design of new amalgams for novel dental alloys, the phase equilibria, phase diagrams and thermodynamic functions for Ag–Hg and Cu–Hg binary systems are explored in this work, based on the CALPHAD framework and experimental characterizations. The Gibbs free energies of the solution phases as well as the stoichiometric phases are calculated, with the aid of enthalpies of mixing, activities, enthalpies of formation, and phase equilibrium data. The thermodynamic descriptions provided in this work enable the stabilities of each phase at various temperatures and compositions to be well described, which contribute to the establishment of a general database to design novel metallic dental materials.

  11. The heat-capacity of ilmenite and phase equilibria in the system Fe-T-O

    Science.gov (United States)

    Anovitz, Lawrence M.; Treiman, A.H.; Essene, E.J.; Hemingway, B.S.; Westrum, E.F., Jr.; Wall, V.J.; Burriel, R.; Bohlen, S.R.

    1985-01-01

    Low temperature adiabatic calorimetry and high temperature differential scanning calorimetry have been used to measure the heat-capacity of ilmenite (FeTiO3) from 5 to 1000 K. These measurements yield S2980 = 108.9 J/(mol ?? K). Calculations from published experimental data on the reduction of ilmenite yield ??2980(I1) = -1153.9 kJ/(mol ?? K). These new data, combined with available experimental and thermodynamic data for other phases, have been used to calculate phase equilibria in the system Fe-Ti-O. Calculations for the subsystem Ti-O show that extremely low values of f{hook}O2 are necessary to stabilize TiO, the mineral hongquiite reported from the Tao district in China. This mineral may not be TiO, and it should be re-examined for substitution of other elements such as N or C. Consideration of solid-solution models for phases in the system Fe-Ti-O allows derivation of a new thermometer/oxybarometer for assemblages of ferropseudobrookite-pseudobrookitess and hematite-ilmenitess. Preliminary application of this new thermometer/oxybarometer to lunar and terrestrial lavas gives reasonable estimates of oxygen fugacities, but generally yields subsolidus temperatures, suggesting re-equilibration of one or more phases during cooling. ?? 1985.

  12. Thermodynamic Models for Vapor-Liquid Equilibria of Nitrogen+Oxygen+Carbon Dioxide at Low Temperatures

    CERN Document Server

    Vrabec, J; Buchhauser, U; Meyer-Pittroff, R; Hasse, H

    2009-01-01

    For the design and optimization of CO2 recovery from alcoholic fermentation processes by distillation, models for vapor-liquid equilibria (VLE) are needed. Two such thermodynamic models, the Peng-Robinson equation of state (EOS) and a model based on Henry's law constants, are proposed for the ternary mixture N2+O2+CO2. Pure substance parameters of the Peng-Robinson EOS are taken from the literature, whereas the binary parameters of the Van der Waals one-fluid mixing rule are adjusted to experimental binary VLE data. The Peng-Robinson EOS describes both binary and ternary experimental data well, except at high pressures approaching the critical region. A molecular model is validated by simulation using binary and ternary experimental VLE data. On the basis of this model, the Henry's law constants of N2 and O2 in CO2 are predicted by molecular simulation. An easy-to-use thermodynamic model, based on those Henry's law constants, is developed to reliably describe the VLE in the CO2-rich region.

  13. Kinetic Simulations of the Lowest-order Unstable Mode of Relativistic Magnetostatic Equilibria

    Science.gov (United States)

    Nalewajko, Krzysztof; Zrake, Jonathan; Yuan, Yajie; East, William E.; Blandford, Roger D.

    2016-08-01

    We present the results of particle-in-cell numerical pair plasma simulations of relativistic two-dimensional magnetostatic equilibria known as the “Arnold–Beltrami–Childress” fields. In particular, we focus on the lowest-order unstable configuration consisting of two minima and two maxima of the magnetic vector potential. Breaking of the initial symmetry leads to exponential growth of the electric energy and to the formation of two current layers, which is consistent with the picture of “X-point collapse” first described by Syrovatskii. Magnetic reconnection within the layers heats a fraction of particles to very high energies. After the saturation of the linear instability, the current layers are disrupted and the system evolves chaotically, diffusing the particle energies in a stochastic second-order Fermi process, leading to the formation of power-law energy distributions. The power-law slopes harden with the increasing mean magnetization, but they are significantly softer than those produced in simulations initiated from Harris-type layers. The maximum particle energy is proportional to the mean magnetization, which is attributed partly to the increase of the effective electric field and partly to the increase of the acceleration timescale. We describe in detail the evolving structure of the dynamical current layers and report on the conservation of magnetic helicity. These results can be applied to highly magnetized astrophysical environments, where ideal plasma instabilities trigger rapid magnetic dissipation with efficient particle acceleration and flares of high-energy radiation.

  14. Phase equilibria and modeling of ammonium ionic liquid, C2NTf2, solutions.

    Science.gov (United States)

    Domańska, Urszula; Marciniak, Andrzej; Królikowski, Marek

    2008-01-31

    Novel quaternary ammonium ionic liquid, ethyl(2-hydroxyethyl)dimethylammonium bis(trifluomethylsulfonyl)imide (C2NTf2), has been prepared from N,N-dimethylethanolamine as a substrate. The paper includes a specific basic characterization of the synthesized compound by NMR and the basic thermophysical properties: the melting point, enthalpy of fusion, enthalpy of solid-solid phase transition, glass transition determined by the differential scanning calorimetry (DSC), temperature of decomposition, and water content. The density of the new compound was measured. The solid-liquid or liquid-liquid phase equilibria of binary mixtures containing {C2NTf2+water or an alcohol (propan-1-ol, butan-1-ol, hexan-1-ol, octan-1-ol, decan-1-ol), aromatic hydrocarbons (benzene, toluene), aliphatic hydrocarbons (n-hexane, n-octane), dimethylsulfoxide (DMSO), or tetrahydrofuran (THF)} have been measured by a dynamic method in a wide range of temperatures from 230 to 430 K. These data were correlated by means of the nonrandom two-liquid (NRTL) equation utilizing temperature-dependent parameters derived from the solid-liquid or liquid-liquid equilibrium. From the solubility results, the negative value of the partition coefficient of ionic liquid in binary system octan-1-ol/water (log P) at 298.15 K has been calculated. PMID:18179194

  15. Exploring fluctuations and phase equilibria in fluid mixtures via Monte Carlo simulation

    Science.gov (United States)

    Denton, Alan R.; Schmidt, Michael P.

    2013-03-01

    Monte Carlo simulation provides a powerful tool for understanding and exploring thermodynamic phase equilibria in many-particle interacting systems. Among the most physically intuitive simulation methods is Gibbs ensemble Monte Carlo (GEMC), which allows direct computation of phase coexistence curves of model fluids by assigning each phase to its own simulation cell. When one or both of the phases can be modelled virtually via an analytic free energy function (Mehta and Kofke 1993 Mol. Phys. 79 39), the GEMC method takes on new pedagogical significance as an efficient means of analysing fluctuations and illuminating the statistical foundation of phase behaviour in finite systems. Here we extend this virtual GEMC method to binary fluid mixtures and demonstrate its implementation and instructional value with two applications: (1) a lattice model of simple mixtures and polymer blends and (2) a free-volume model of a complex mixture of colloids and polymers. We present algorithms for performing Monte Carlo trial moves in the virtual Gibbs ensemble, validate the method by computing fluid demixing phase diagrams, and analyse the dependence of fluctuations on system size. Our open-source simulation programs, coded in the platform-independent Java language, are suitable for use in classroom, tutorial, or computational laboratory settings.

  16. Collision Index and Stability of Elliptic Relative Equilibria in Planar {n} -body Problem

    Science.gov (United States)

    Hu, Xijun; Ou, Yuwei

    2016-06-01

    It is well known that a planar central configuration of the {n} -body problem gives rise to solutions where each particle moves on a specific Keplerian orbit while the totality of the particles move on a homographic motion. When the eccentricity {e} of the Keplerian orbit belongs in {[0,1)} , following Meyer and Schmidt, we call such solutions elliptic relative equilibria (shortly, ERE). In order to study the linear stability of ERE in the near-collision case, namely when {1-e} is small enough, we introduce the collision index for planar central configurations. The collision index is a Maslov-type index for heteroclinic orbits and orbits parametrised by half-lines that, according to the definition given by Hu and Portaluri (An index theory for unbounded motions of Hamiltonian systems, Hu and Portaluri (2015, preprint)), we shall refer to as half-clinic orbits and whose definition in this context, is essentially based on a blow up technique in the case {e=1} . We get the fundamental properties of collision index and approximation theorems. As applications, we give some new hyperbolic criteria and prove that, generically, the ERE of minimal central configurations are hyperbolic in the near-collision case, and we give a detailed analysis of Euler collinear orbits in the near-collision case.

  17. Solubilization equilibria of alcohols and polymers in micellar solutions; NMR paramagnetic relaxation studies

    Energy Technology Data Exchange (ETDEWEB)

    Zhisheng Gao; Kwak, J.C.T.; Labonte, R.; Marangoni, D.G.; Wasylishem, R.E. (Dalhousie Univ., Halifax, NS (Canada). Dept. of Chemistry)

    1990-04-01

    The solubilization equilibria of some typical alcohols in cationic, anionic, and nonionic surfactant micellar solutions were investigated using the NMR paramagnetic relaxation method. The degree of solubilizate in the micellar phase, p, was determined by monitoring the change in the {sup 1}H spin-lattice relaxation rate of the solubilizate upon the addition of paramagnetic ions to the aqueous phase. Hydrophilic paramagnetic ions, which sould have the same sign of charge as the micellar surface for the case of ionic surfactant systems, were used to enhance the spin-lattice relaxation rate of solubulizate in the aqueous phase. The degree of solubilization obtained is, within experimental error, independent of the concentration of the paramagnetic ion concentration. The results obtained using different paramagnetic ions are in good agreement. The paramagnetic relaxation method was also used to determine the degree of solubilization of poly(ethylene oxide) in two surfactant solutions, sodium {omega}-pheyldecanoate and sodium dodecyl sulfate. (author). 43 refs.; 2 figs.; 6 tabs.

  18. Experimental investigation of the phase equilibria in the Co-Fe-Ti ternary system

    Energy Technology Data Exchange (ETDEWEB)

    Yuan, Chaohui; Chen, Chong; Peng, Yingbiao; Du, Yong; Li, Kun [Central South Univ., State Key of Powder Metallurgy, Changsha (China); Lu, Xingxu [Central South Univ., State Key of Powder Metallurgy, Changsha (China); Central South Univ., School of Materials Science and Engineering, Changsha (China)

    2015-08-15

    Phase equilibria in the Co-Fe-Ti ternary system were investigated by means of the equilibrated alloy method with X-ray powder diffraction and electron probe microanalysis. No ternary compounds were found. The experimental results indicated the existence of seven two-phase and one three-phase regions at 600 C, five two-phase and two three-phase regions at 800 C, and six two-phase and two three-phase regions at 950 C. The solubility of Co in TiFe{sub 2} was determined to be larger than 54 at.% at all investigated temperatures, and the solubilities of Fe in TiCo{sub 3} and Ti{sub 2}Co showed an appreciable increase with increasing temperature. The three-phase equilibrium in the Ti-rich corner at 800 C was revealed to be ((β-Ti) + Ti(Fe, Co) + Ti{sub 2}Co) rather than ((α-Ti) + Ti(Fe, Co) + Ti{sub 2}Co) reported in previous investigations. Based on the experimental data obtained in the present work, three isothermal sections at 600, 800 and 950 C were established.

  19. Fusion burn equilibria sensitive to the ratio between energy and helium transport

    Science.gov (United States)

    Jakobs, Merlijn; Lopes Cardozo, Niek; Jaspers, Roger

    2014-12-01

    An analysis of the burn equilibria of fusion reactors of the tokamak family is presented. The global (zero-dimensional) analysis is self-consistent in that it takes into account the dependence of the energy confinement on the variables of the burning plasma, such as temperature and density. Universal burn contours are presented for a selection of commonly used scaling laws for energy confinement. It is shown that the output power of a fusion reactor is to good approximation inversely proportional to the particle confinement time, due to the choking effect of the accumulation of helium, the ash of the fusion reaction. It is further shown that, whereas a fusion reactor requires a minimum energy confinement time to ignite, the output power reaches a maximum for an energy confinement that lies about 30% above this minimum. Further improvement of confinement will lower the output, although in some cases the β limit will be the limiting factor. Given that for maximum performance density the confinement and fuel mix are best chosen to be optimal, the particle confinement is proposed as an attractive parameter for burn control.

  20. Measurement of liquid-liquid equilibria for condensate + glycol and condensate + glycol + water systems

    DEFF Research Database (Denmark)

    Riaz, Muhammad; Kontogeorgis, Georgios; Stenby, Erling Halfdan;

    2011-01-01

    Today's oil and gas production requires the application of various chemicals in large amounts. To evaluate the effects of those chemicals on the environment, it is of crucial importance to know how much of the chemicals are discharged via produced water and how much is dissolved in the crude oil....

  1. Calculation of continuum damping of Alfvén eigenmodes in tokamak and stellarator equilibria

    Energy Technology Data Exchange (ETDEWEB)

    Bowden, G. W.; Hole, M. J. [Plasma Theory and Modelling, Research School of Physics and Engineering, Australian National University, Acton 2601, Australian Capital Territory (Australia); Könies, A. [Max-Planck-Institut für Plasmaphysik, EURATOM-Association, D-17491 Greifswald (Germany)

    2015-09-15

    In an ideal magnetohydrodynamic (MHD) plasma, shear Alfvén eigenmodes may experience dissipationless damping due to resonant interaction with the shear Alfvén continuum. This continuum damping can make a significant contribution to the overall growth/decay rate of shear Alfvén eigenmodes, with consequent implications for fast ion transport. One method for calculating continuum damping is to solve the MHD eigenvalue problem over a suitable contour in the complex plane, thereby satisfying the causality condition. Such an approach can be implemented in three-dimensional ideal MHD codes which use the Galerkin method. Analytic functions can be fitted to numerical data for equilibrium quantities in order to determine the value of these quantities along the complex contour. This approach requires less resolution than the established technique of calculating damping as resistivity vanishes and is thus more computationally efficient. The complex contour method has been applied to the three-dimensional finite element ideal MHD Code for Kinetic Alfvén waves. In this paper, we discuss the application of the complex contour technique to calculate the continuum damping of global modes in tokamak as well as torsatron, W7-X and H-1NF stellarator cases. To the authors' knowledge, these stellarator calculations represent the first calculation of continuum damping for eigenmodes in fully three-dimensional equilibria. The continuum damping of global modes in W7-X and H-1NF stellarator configurations investigated is found to depend sensitively on coupling to numerous poloidal and toroidal harmonics.

  2. Calculation of continuum damping of Alfvén eigenmodes in tokamak and stellarator equilibria

    International Nuclear Information System (INIS)

    In an ideal magnetohydrodynamic (MHD) plasma, shear Alfvén eigenmodes may experience dissipationless damping due to resonant interaction with the shear Alfvén continuum. This continuum damping can make a significant contribution to the overall growth/decay rate of shear Alfvén eigenmodes, with consequent implications for fast ion transport. One method for calculating continuum damping is to solve the MHD eigenvalue problem over a suitable contour in the complex plane, thereby satisfying the causality condition. Such an approach can be implemented in three-dimensional ideal MHD codes which use the Galerkin method. Analytic functions can be fitted to numerical data for equilibrium quantities in order to determine the value of these quantities along the complex contour. This approach requires less resolution than the established technique of calculating damping as resistivity vanishes and is thus more computationally efficient. The complex contour method has been applied to the three-dimensional finite element ideal MHD Code for Kinetic Alfvén waves. In this paper, we discuss the application of the complex contour technique to calculate the continuum damping of global modes in tokamak as well as torsatron, W7-X and H-1NF stellarator cases. To the authors' knowledge, these stellarator calculations represent the first calculation of continuum damping for eigenmodes in fully three-dimensional equilibria. The continuum damping of global modes in W7-X and H-1NF stellarator configurations investigated is found to depend sensitively on coupling to numerous poloidal and toroidal harmonics

  3. Calculation of continuum damping of Alfvén eigenmodes in tokamak and stellarator equilibria

    Science.gov (United States)

    Bowden, G. W.; Hole, M. J.; Könies, A.

    2015-09-01

    In an ideal magnetohydrodynamic (MHD) plasma, shear Alfvén eigenmodes may experience dissipationless damping due to resonant interaction with the shear Alfvén continuum. This continuum damping can make a significant contribution to the overall growth/decay rate of shear Alfvén eigenmodes, with consequent implications for fast ion transport. One method for calculating continuum damping is to solve the MHD eigenvalue problem over a suitable contour in the complex plane, thereby satisfying the causality condition. Such an approach can be implemented in three-dimensional ideal MHD codes which use the Galerkin method. Analytic functions can be fitted to numerical data for equilibrium quantities in order to determine the value of these quantities along the complex contour. This approach requires less resolution than the established technique of calculating damping as resistivity vanishes and is thus more computationally efficient. The complex contour method has been applied to the three-dimensional finite element ideal MHD Code for Kinetic Alfvén waves. In this paper, we discuss the application of the complex contour technique to calculate the continuum damping of global modes in tokamak as well as torsatron, W7-X and H-1NF stellarator cases. To the authors' knowledge, these stellarator calculations represent the first calculation of continuum damping for eigenmodes in fully three-dimensional equilibria. The continuum damping of global modes in W7-X and H-1NF stellarator configurations investigated is found to depend sensitively on coupling to numerous poloidal and toroidal harmonics.

  4. Multi-Equilibria Regulation Agent-Based Model of Opinion Dynamics in Social Networks

    Directory of Open Access Journals (Sweden)

    Andreas Koulouris

    2013-01-01

    Full Text Available This article investigates the Multiple Equilibria Regulation (MER model, i.e., an agent-based simulation model, to represent opinion dynamics in social networks. It relies on a small set of micro-prerequisites (intra-individual balance and confidence bound, leading to emergence of (nonstationary macro-outcomes. These outcomes may refer to consensus, polarization or fragmentation of opinions about taxation (e.g., congestion pricing or other policy measures, according to the way communication is structured. In contrast with other models of opinion dynamics, it allows for the impact of both the regulation of intra-personal discrepancy and the interpersonal variability of opinions on social learning and network dynamics. Several simulation experiments are presented to demonstrate, through the MER model, the role of different network structures (complete, star, cellular automata, small-world and random graphs on opinion formation dynamics and the overall evolution of the system. The findings can help to identify specific topological characteristics, such as density, number of neighbourhoods and critical nodes-agents, that affect the stability and system dynamics. This knowledge can be used to better organize the information diffusion and learning in the community, enhance the predictability of outcomes and manage possible conflicts. It is shown that a small-world organization, which depicts more realistic aspects of real-life and virtual social systems, provides increased predictability and stability towards a less fragmented and more manageable grouping of opinions, compared to random networks. Such macro-level organizations may be enhanced with use of web-based technologies to increase the density of communication and public acceptability of policy measures.

  5. Phase equilibria of the Cu-Ni-Si system at 700 deg. C

    International Nuclear Information System (INIS)

    Highlights: → The phase diagram of the Cu-Ni-Si system at 700 deg. C was measured for the first time. → The existence of the ternary compound τ1 reported in literature was confirmed. → A new compound τ2-Cu45.8Ni25Si29.2 with no solubility was observed for the first time. → The Ni2SiH compound was found to be stable at 700 deg. C in the ternary system by dissolving Cu. - Abstract: The phase equilibria at the isothermal section of the Cu-Ni-Si system at 700 deg. C were experimentally investigated. Thirty Cu-Ni-Si alloys were prepared by arc melting and annealed at 700 deg. C for 30 or 80 days, and examined with optical microscopy, X-ray diffraction, scanning electron microscopy with energy dispersive X-ray spectroscopy and electron probe microanalysis. Twelve three-phase regions were determined. The existence of the ternary compound τ1-Cu56.8-63Ni10.4-16.1Si26.6-27.3 reported in literature was confirmed and a new compound τ2-Cu45.8Ni25Si29.2 with nearly no homogeneity range was observed. The θ-Ni2Si compound, which exists above 820 deg. C in the binary Ni-Si system, was found to be stable at 700 deg. C and the composition range of Cu is 12.7-20.6 at.% Cu. The ternary solubilities of binary compounds were measured and noticeably the Cu56Si11 compound can dissolve Ni up to 21.9 at.%.

  6. Chemical Sciences Division annual report, 1990

    International Nuclear Information System (INIS)

    This report contains sections on the following topics: photochemistry of materials in the stratosphere, energy transfer and structural studies of molecules on surfaces, crossed molecular beams, molecular interactions, theory of atomic and molecular collision processes, selective photochemistry, photodissociation of free radicals, physical chemistry with emphasis on thermodynamic properties, chemical physics at the high photon energies, high-energy atomic physics, atomic physics, high-energy oxidizers and delocalized-electron solids, catalytic hydrogenation of CO, transition metal-catalyzed conversion of CO, NO, H2, and organic molecules to fuels and petrochemicals, formation of oxyacids of sulfur from SO2, potentially catalytic and conducting polyorganometallics, actinide chemistry, and molecular thermodynamics for phase equilibria in mixtures

  7. Does an irreversible chemical cycle support equilibrium?

    CERN Document Server

    Banerjee, Kinshuk

    2013-01-01

    The impossibility of attaining equilibrium for cyclic chemical reaction networks with irreversible steps is apparently due to a divergent entropy production rate. A deeper reason seems to be the violation of the detailed balance condition. In this work, we discuss how the standard theoretical framework can be adapted to include irreversible cycles, avoiding the divergence. With properly redefined force terms, such systems are also seen to reach and sustain equilibria that are characterized by the vanishing of the entropy production rate, though detailed balance is not maintained. Equivalence of the present formulation with Onsager's original prescription is established for both reversible and irreversible cycles, with a few adjustments in the latter case. Further justification of the attainment of true equilibrium is provided with the help of the minimum entropy production principle. All the results are generalized for an irreversible cycle comprising of N number of species.

  8. Chemical Sciences Division annual report, 1990

    Energy Technology Data Exchange (ETDEWEB)

    1991-08-01

    This report contains sections on the following topics: photochemistry of materials in the stratosphere, energy transfer and structural studies of molecules on surfaces, crossed molecular beams, molecular interactions, theory of atomic and molecular collision processes, selective photochemistry, photodissociation of free radicals, physical chemistry with emphasis on thermodynamic properties, chemical physics at the high photon energies, high-energy atomic physics, atomic physics, high-energy oxidizers and delocalized-electron solids, catalytic hydrogenation of CO, transition metal-catalyzed conversion of CO, NO, H{sub 2}, and organic molecules to fuels and petrochemicals, formation of oxyacids of sulfur from SO{sub 2}, potentially catalytic and conducting polyorganometallics, actinide chemistry, and molecular thermodynamics for phase equilibria in mixtures.

  9. Experimental determination and prediction of (solid+liquid) phase equilibria for binary mixtures of heavy alkanes and fatty acids

    Science.gov (United States)

    Benziane, Mokhtar; Khimeche, Kamel; Dahmani, Abdellah; Nezar, Sawsen; Trache, Djalal

    2012-06-01

    Solid-liquid equilibria for three binary mixtures, n-Eicosane (1) + Lauric acid (2), n-Tetracosane (1) + Stearic acid (2), and n-Octacosane (1) + Palmitic acid (2), were measured using a differential scanning calorimeter. Simple eutectic behaviour was observed for these systems. The experimental results were correlated by means of the modified UNIFAC (Larsen and Gmehling versions), UNIQUAC and ideal models. The root-mean-square deviations of the solubility temperatures for all measured data vary from 0.26 to 3.15 K and depend on the particular model used. The best solubility correlation was obtained with the UNIQUAC model.

  10. (Ternary liquid + liquid) equilibria for (water + acetone + {alpha}-pinene, or {beta}-pinene, or limonene) mixtures

    Energy Technology Data Exchange (ETDEWEB)

    Li Xiaoli [Department of Chemistry and Chemical Engineering, Division of Material Sciences, Graduate School of Natural Science and Technology, Kanazawa University, Kakuma-machi, Kanazawa 920-1192 (Japan); Tamura, Kazuhiro, E-mail: tamura@t.kanazawa-u.ac.j [Department of Chemistry and Chemical Engineering, Division of Material Sciences, Graduate School of Natural Science and Technology, Kanazawa University, Kakuma-machi, Kanazawa 920-1192 (Japan)

    2010-11-15

    (Ternary liquid + liquid) equilibria (tie-lines) of (water + acetone + {alpha}-pinene) at T = (288.15, 298.15, and 308.15) K and (water + acetone + {beta}-pinene, or limonene) at T = 298.15 K have been measured. The experimental (ternary liquid + liquid) equilibrium data have been correlated successfully by the original UNIQUAC and modified UNIQUAC models. The modified UNIQUAC model reproduced accurately the experimental results for the (water + acetone + {alpha}-pinene) system at all the temperatures but fairly agreed with the experimental data for the (water + acetone + {beta}-pinene, or limonene) systems.

  11. Isothermal and Isobaric Vapor-Liquid Equilibria of α-Pinene + cis-Pinane + 1-Hexanol System

    Institute of Scientific and Technical Information of China (English)

    马璐; 李浩然; 王从敏; 韩世钧

    2004-01-01

    This paper presents the isothermal and isobaric vapor-liquid equilibria measured with an inclined ebulliometer for α-pinene + cis-pinane + 1-hexanol system at temperatures of 368.15K, 383.15 K and 408.15K, and at pressures of 26.66 kPa and 53.33 kPa. The measured ternary results are analyzed using the UNIQUAC equation with the temperature-dependent binary parameters. Satisfactory agreements are obtained between the experimental results and the theoretical analysis.

  12. Modeling phase equilibria of alkanols with the simplified PC-SAFT equation of state and generalized pure compound parameters

    DEFF Research Database (Denmark)

    Grenner, Andreas; Kontogeorgis, Georgios; von Solms, Nicolas;

    2007-01-01

    The simplified PC-SAFT equation of state has been applied to liquid-liquid, vapor-liquid and solid-liquid equilibria for mixtures containing 1-or 2-alkanols with alkanes, aromatic hydrocarbons, CO2 and water. For the alkanols we use generalized pure compound parameters. This means that two...... of this project is to obtain a thermodynamic model which can be used in the development of sophisticated products such as pharmaceuticals, polymers, detergents or food ingredients. One of the severe limitations in applying SAFT-type equations of state to these compounds is that the procedure for obtaining...

  13. The influence of alkaline earth metal equilibria on the rheological properties of rennet-induced skim milk gels

    OpenAIRE

    Cooke, Darren; McSweeney, Paul

    2014-01-01

    The mineral equilibria of milk can have a major influence on the properties of rennet milk gels. The influence of increased Mg, Ca, and Sr concentrations on milk and rennet milk gels was investigated. Reconstituted skim milk was supplemented with MgCl2, CaCl2, or SrCl2 at levels from 2.5–10 mmol.L−1 and adjusted to pH 6.6. Dynamic rheological properties of the renneted milks at 32 °C were investigated during 6-h time sweeps and by frequency sweeps. Whey was separated from rennet gels by centr...

  14. A review of the isobaric (vapor + liquid + liquid) equilibria of multicomponent systems and the experimental methods used in their investigation

    Energy Technology Data Exchange (ETDEWEB)

    Gomis, Vicente, E-mail: vgomis@ua.e [Departamento de Ingenieria Quimica, Universidad de Alicante, Ap. 99, E-03080 Alicante (Spain); Pequenin, Ana; Asensi, Juan Carlos [Departamento de Ingenieria Quimica, Universidad de Alicante, Ap. 99, E-03080 Alicante (Spain)

    2010-07-15

    An overview of the multicomponent systems for which isobaric (vapor + liquid + liquid) equilibrium (VLLE) data has been published, is presented. This overview comprises 36 ternary and three quaternary systems. For each one of these systems is specified a reference, pressure range, experimental method and the amount of equilibrium data determined. This is followed by a brief description for each experimental method of the specific procedure carried out to determine the (vapor + liquid) equilibrium in the case where the liquid is heterogeneous. Lastly, a final assessment is presented of the experimental procedures used to determine the (vapor + liquid + liquid) equilibria (VLLE).

  15. Densities and isobaric vapor-liquid equilibria for the mixtures formed by four butyl esters and 1-butanol

    Energy Technology Data Exchange (ETDEWEB)

    Gonzalez, E.; Ortega, J. [Univ. of Las Palmas de Gran Canaria (Spain)

    1996-01-01

    Densities of 298.15 K and the vapor-liquid equilibria for 1-butanol + butyl methanoate, + butyl ethanoate, + butyl propanoate, and + butyl butanoate have been measured at 101.32 kPa in small capacity ebulliometer. All results were found to be thermodynamically consistent with a point-to-point test. The mixtures containing butyl methanoate and butyl ethanoate show azeotropes at T = 379.14 K, x = 0.871 and T = 389.64 K, x = 0.222, respectively. Different group-contribution methods were applied to these mixtures.

  16. Modeling phase equilibria for acid gas mixtures using the CPA equation of state. Part II: Binary mixtures with CO2

    DEFF Research Database (Denmark)

    Tsivintzelis, Ioannis; Kontogeorgis, Georgios; Michelsen, Michael Locht;

    2011-01-01

    In Part I of this series of articles, the study of H2S mixtures has been presented with CPA. In this study the phase behavior of CO2 containing mixtures is modeled. Binary mixtures with water, alcohols, glycols and hydrocarbons are investigated. Both phase equilibria (vapor–liquid and liquid......, alcohols and glycols) are considered, the importance of cross-association is investigated. The cross-association is accounted for either via combining rules or using a cross-solvation energy obtained from experimental spectroscopic or calorimetric data or from ab initio calculations. In both cases two...

  17. Comparison of two association models (Elliott-Suresh-Donohue and simplified PC-SAFT) for complex phase equilibria of hydrocarbon-water and amine-containing mixtures

    DEFF Research Database (Denmark)

    Grenner, Andreas; Schmelzer, Jürgen; von Solms, Nicolas;

    2006-01-01

    Two Wertheim-based association models, the simplified PC-SAFT and the Elliott-Suresh-Donohue (ESD) equation of state, are compared in this work for the description of vapor-liquid equilibria (VLE) and liquid-liquid equilibria (LLE) in binary systems of aniline, cyclohexylamine (CHA), hydrocarbons......-SAFT equation of state, e.g., the choice of various association schemes for the amines and parametrization of water as well as different approaches for describing solvation. It is shown that simplified PC-SAFT using water parameters estimated in this work can describe successfully water-alkane LLE. In general...

  18. A solvable many-body problem, its equilibria, and a second-order ordinary differential equation whose general solution is polynomial

    Science.gov (United States)

    Calogero, Francesco

    2013-01-01

    Some properties of a solvable N-body problem featuring several free parameters ("coupling constants") are investigated. Restrictions on its parameters are reported which guarantee that all its solutions are completely periodic with a fixed period independent of the initial data (isochrony). The restrictions on its parameters which guarantee the existence of equilibria are also identified. In this connection a remarkable second-order ODE—generally not of hypergeometric type, hence not reducible to those characterizing the classical polynomials—is studied: if its parameters satisfy a Diophantine condition, its general solution is a polynomial of degree N, the N zeros of which identify the equilibria of the N-body system.

  19. A General Form of Hybrid Equilibria in Job-Market Signaling Games%工作市场信号博弈混同均衡通式

    Institute of Scientific and Technical Information of China (English)

    黄怡胜

    2001-01-01

    提出双混同均衡的概念,作为对混同均衡的推广.基于该概念,给出了工作市场信号博弈混同均衡的一般形式,因而,普通的混同均衡都是它的特例.%The idea of bi-hybrid equilibrium is presented. With this generalized definition of hybrid equilibrium,a general form of hybrid equilibria in job-market signaling games is obstained.Both usual hybrid equilibria are special cases of this form.

  20. Chemical speciation code CHEMSPEC and its applications

    Institute of Scientific and Technical Information of China (English)

    2009-01-01

    The adsorption and migration behavior of a radionuclide in geological media heavily depends on its chemical forms in a given chemical environment.In order to predict the temporal and spatial distribution of radionuclides around a disposal site when its canister is damaged,it is necessary to develop coupled chemical speciation-solute transport models and relevant software.For that reason,we wrote a new chemical speciation program CHEMSPEC.In this paper,the principles and structure of CHEMSPEC are briefly described,and the strategy and algorithms that were used in this code are interpreted in some detail,such as the measures adopted to prevent divergence in iteratively solving the mass balance equations,the "predictor-corrector" algorithm for calculation of the number and quantities of solid species formed,and the alternate use of "freezing" and "defreezing" oxidation states in handling of co-existent redox and precipitation equilibria.Four examples are given to illustrate CHEMSPEC’s features and capabilities.

  1. Statistical equilibria of the coupled barotropic flow and shallow water flow on a rotating sphere

    Science.gov (United States)

    Ding, Xueru

    The motivation of this research is to build equilibrium statistical models that can apply to explain two enigmatic phenomena in the atmospheres of the solar system's planets: (1) the super-rotation of the atmospheres of slowly-rotating terrestrial planets---namely Venus and Titan, and (2) the persistent anticyclonic large vortex storms on the gas giants, such as the Great Red Spot (GRS) on Jupiter. My thesis is composed of two main parts: the first part focuses on the statistical equilibrium of the coupled barotropic vorticity flow (non-divergent) on a rotating sphere; the other one has to do with the divergent shallow water flow rotating sphere system. The statistical equilibria of these two systems are simulated in a wide range of parameter space by Monte Carlo methods based on recent energy-relative enstrophy theory and extended energy-relative enstrophy theory. These kind of models remove the low temperatures defect in the old classical doubly canonical energy-enstrophy theory which cannot support any phase transitions. The other big difference of our research from previous work is that we work on the coupled fluid-sphere system, which consists of a rotating high density rigid sphere, enveloped by a thin shell of fluid. The sphere is considered to have infinite mass and angular momentum; therefore, it can serve as a reservoir of angular momentum. Unlike the fluid sphere system itself, the coupled fluid sphere system allows for the exchange of angular momentum between the atmosphere and the solid planet. This exchange is the key point in any model that is expected to capture coherent structures such as the super-rotation and GRS-like vortices problems in planetary atmospheres. We discovered that slowly-rotating planets can have super-rotation at high energy state. All known slowly-rotating cases in the solar system---Venus and Titan---have super-rotation. Moreover, we showed that the anticyclonicity in the GRS-like structures is closely associated with the

  2. Review of algorithms for modeling metal distribution equilibria in liquid-liquid extraction processes

    Directory of Open Access Journals (Sweden)

    Lozano, L. J.

    2005-10-01

    Full Text Available This work focuses on general guidelines to be considered for application of least-squares routines and artificial neural networks (ANN in the estimation of metal distribution equilibria in liquid-liquid extraction process. The goal of the procedure in the statistical method is to find the values of the equilibrium constants (Kj for the reactions involved in the metal extraction which minimizes the differences between experimental distribution coefficient (Dexp and theoretical distribution coefficients according to the mechanism proposed (Dtheor- In the first part of the article, results obtained with the most frequently routine reported in the bibliography are compared with those obtained using the algorithms previously discussed. In the second part, the main features of a single back-propagation neural network for the same purpose are discussed, and the results obtained are compared with those obtained with the classical methods.

    El trabajo presenta las líneas generales a considerar para la estimación del equilibrio de distribución de metales en procesos de extracción líquido-líquido, según dos métodos: algoritmo clásico de mínimos cuadrados y redes neuronales artificiales. El objetivo del procedimiento, en el caso del método estadístico, es encontrar los valores de las constantes de equilibrio (Kj para las reacciones involucradas en la extracción del metal, que minimizan las diferencias entre el coeficiente de distribución experimental y el coeficiente de distribución teórico, de acuerdo al mecanismo propuesto. En la primera parte del artículo se comparan los resultados obtenidos a partir de los algoritmos usados más habitualmente en la bibliografía, con los datos obtenidos mediante el algoritmo previamente descrito. En la segunda parte, se presentan las características fundamentales para aplicar una red neuronal sencilla con algoritmo back-propagation y los

  3. Heat capacity and phase equilibria of almandine, Fe3Al2Si3O12

    Science.gov (United States)

    Anovitz, Lawrence M.; Essene, E.J.; Metz, G.W.; Bohlen, S.R.; Westrum, E.F., Jr.; Hemingway, B.S.

    1993-01-01

    The heat capacity of a synthetic almandine, Fe3Al2Si3O12, was measured from 6 to 350 K using equilibrium, intermittent-heating quasi-adiabatic calorimetry and from 420 to 1000 K using differential scanning calorimetry. These measurements yield Cp298 = 342.80 ?? 1.4 J/mol ?? K and S298o = 342.60 J/mol ?? K. Mo??ssbauer characterizations show the almandine to contain less than 2 ?? 1% of the total iron as Fe3+. X-ray diffraction studies of this synthetic almandine yield a = 11.521 ?? 0.001 A?? and V298o = 115.11 +- 0.01 cm3/mol, somewhat smaller than previously reported. The low-temperature Cp data indicate a lambda transition at 8.7 K related to an antiferromagnetic-paramagnetic transition with TN = 7.5 K. Modeling of the lattice contribution to the total entropy suggests the presence of entropy in excess of that attributable to the effects of lattice vibrations and the magnetic transition. This probably arises from a low-temperature electronic transition (Schottky contribution). Combination of the Cp data with existing thermodynamic and phase equilibrium data on almandine yields ??Gf,298o = -4938.3 kJ/mol and ??Hf,298o= -5261.3 kJ/mol for almandine when calculated from the elements. The equilibrium almandine = hercynite + fayalite + quartz limits the upper T P for almandine and is metastably located at ca. 570??C at P = 1 bar, with a dP dT of +17 bars/??C. This agrees well with reversed experiments on almandine stability when they are corrected for magnetite and hercynite solid-solutions. In {norm of matrix}O2-T space, almandine oxidizes near QFM by the reactions almandine + O2 = magnetite + sillimanite + quartz and almandine + 02 = hercynite + magnetite + quartz. With suitable correction for reduced activities of solid phases, these equilibria provide useful oxygen barometers for medium- to high-grade metamorphic rocks. ?? 1993.

  4. High temperature phase equilibria studies in the Bi-Sr-Ca-Cu-O-Ag system

    Energy Technology Data Exchange (ETDEWEB)

    Margulies, Lawrence

    1999-11-08

    A variety of experimental techniques were utilized to examine the high temperature phase equilibria in the Bi-Sr-Ca-Cu-O-Ag system. Quenching studies were used to determine the liquid solubility of Ag in the Bi{sub 2}Sr{sub 2}CaCu{sub 2}O{sub 8} (Bi2212) melt and the details of the peritectic decomposition pathway of Bi2212 as a function on Ag content and oxygen partial pressure (PO{sub 2}). A liquid immiscibility region between oxide and Ag liquids in the 8--98 at% range was found above 900 C. Two eutectics were found in the Bi2212-Ag pseudobinary. On the oxide rich side, a eutectic exists at approximately 4 at% Ag. On the Ag rich side, a eutectic exists at approximately 98 at% Ag at a temperature of 15 C below the melting point of pure Ag. Six distinct solid phases were found to be in equilibrium with the partial melt within the Ag content and PO{sub 2} range studied. The stability of these solid phases were found to be highly sensitive to PO{sub 2}, and to a much lesser extent Ag content. High temperature x-ray diffraction (HTXRD) studies of this system are in conflict with these results. It is suggested that these discrepancies are due to experimental artifacts caused by the significant thermal gradients and lack of full bulk sampling which is inherent in conventional HTXRD designs. In part 2, a new furnace design compatible with synchrotron radiation sources is introduced to address these problems. This design allows for full bulk sampling in a low thermal gradient environment using Debye-Scherrer transmission geometry. Sample spinning is also introduced in the design to eliminate preferred orientation and incomplete powder averaging and allow for quantitative phase analysis and structural refinement. Studies on model systems are presented to demonstrate the capabilities for high resolution structural studies (Al{sub 2}O{sub 3}) and time resolved phase transformation studies (SrCO{sub 3}). Finally, the Bi2212 system is examined to confirm the quenching results

  5. Predicting mixed-gas adsorption equilibria on activated carbon for precombustion CO2 capture.

    Science.gov (United States)

    García, S; Pis, J J; Rubiera, F; Pevida, C

    2013-05-21

    We present experimentally measured adsorption isotherms of CO2, H2, and N2 on a phenol-formaldehyde resin-based activated carbon, which had been previously synthesized for the separation of CO2 in a precombustion capture process. The single component adsorption isotherms were measured in a magnetic suspension balance at three different temperatures (298, 318, and 338 K) and over a large range of pressures (from 0 to 3000-4000 kPa). These values cover the temperature and pressure conditions likely to be found in a precombustion capture scenario, where CO2 needs to be separated from a CO2/H2/N2 gas stream at high pressure (~1000-1500 kPa) and with a high CO2 concentration (~20-40 vol %). Data on the pure component isotherms were correlated using the Langmuir, Sips, and dual-site Langmuir (DSL) models, i.e., a two-, three-, and four-parameter model, respectively. By using the pure component isotherm fitting parameters, adsorption equilibrium was then predicted for multicomponent gas mixtures by the extended models. The DSL model was formulated considering the energetic site-matching concept, recently addressed in the literature. Experimental gas-mixture adsorption equilibrium data were calculated from breakthrough experiments conducted in a lab-scale fixed-bed reactor and compared with the predictions from the models. Breakthrough experiments were carried out at a temperature of 318 K and five different pressures (300, 500, 1000, 1500, and 2000 kPa) where two different CO2/H2/N2 gas mixtures were used as the feed gas in the adsorption step. The DSL model was found to be the one that most accurately predicted the CO2 adsorption equilibrium in the multicomponent mixture. The results presented in this work highlight the importance of performing experimental measurements of mixture adsorption equilibria, as they are of utmost importance to discriminate between models and to correctly select the one that most closely reflects the actual process.

  6. Phase equilibria in the P(2)O(5)-CaO-CaF(2)-NaF-H(2)O quinary system and the formation of apatite

    Science.gov (United States)

    Martin, Roger Isaac

    Phase equilibria among calcium phosphates in the Hsb3POsb4-Ca(OH)sb2-Hsb2O ternary system were determined as a basis for research in the formation of hydroxyapatite, a biomaterial. The acidic portion of the ternary diagram was established. Ca(Hsb2POsb4)sb2 was not stable for temperatures below 100sp°C. The experimental and theoretical dissolution paths of Ca(Hsb2POsb4)sb2{*}Hsb2O were compared. It is possible for the initial dissolution of Ca(Hsb2POsb4)sb2{*}Hsb2O to supersaturate the system with respect to hydroxyapatite because Ca(Hsb2POsb4)sb2{*}Hsb2O is "twice" incongruently soluble. Hydroxyapatite composition is variable with a Ca/P ratio ranging from 1.5 to 1.67. Hydroxyapatite formation from acid-base reactions of CaHPOsb4 and Casb4(POsb4)sb2O was investigated for composition at the terminal limits. The total heats-of-reaction (Delta Hsb{r}) were determined to be 261.3 and 320 kJ/mol for the formation of calcium deficient and stoichiometric hydroxyapatite, respectively. Activation energies of 84.7 and 87.4 kJ/mol were calculated for the formation of calcium deficient and stoichiometric hydroxyapatite, respectively. Heats-of-formation (Delta Hsb{f}) for Casb4(POsb4)sb2O and Casb9HPOsb4(POsb4)sb5OH were calculated to be -4764.1 and -1207.7 kJ/mol, respectively. The effects of magnesium on hydroxyapatite formation in vitro from CaHPOsb4 and Casb4(POsb4)sb2O at 37.4sp°C were investigated. Magnesium is a biological agent with 0.78 mM concentrations in blood. Magnesium inhibited nucleation for 1 mM concentrations and above for a 5 liquid-to-solids ratio. However, a 5 mM concentration of MgClsb2 slightly accelerated the growth rate. The activity of magnesium is approximately 6% of its concentration. Therefore the inorganic chemical activity of magnesium may not significantly inhibit the formation of bioapatites. Phase equilibria in the Psb2Osb5-CaO-CaFsb2-Hsb2O system at 37.4sp°C was determined and dental fluorosis explained. Fluoroapatite dissolves

  7. Electronic absorption study on acid-base equilibria for some pyrimidine derivatives containing semi- and thiosemicarbazone moiety

    Science.gov (United States)

    Kılıç, H.

    2010-02-01

    The UV-vis spectra of recently synthesized 5-benzoyl-1-(methylphenylmethyleneamino)-4-phenyl-1H-pyrimidine-2-one, ( I), and 5-benzoyl-1-(methylphenylmethyleneamino)-4-phenyl-1H-pyrimidine-2-thione, ( II) were studied in aqueous methanol (5%, v/v methanol). The nature of the electronic transitions and the roles of carbonyl oxygen of I and thiocarbonyl sulfur of II on the behavior of UV-vis spectra were discussed. Acid-base equilibria of the compounds against varying pH and p Ka values related equilibria were determined at an ionic strength of 0.10 M by using the Henderson-Haselbalch equation. The mean acidity constants for the protonated forms of the compounds were determined as p Ka1 = 5.121, p Ka2 = 7.929 and p Ka3 = 11.130 for I and p Ka1 = 4.684, p Ka2 = 7.245 and p Ka3 = 10.630 for II. The preferred dissociation mechanisms were discussed based on UV-vis data and a mechanism was proposed for each compound.

  8. Phase Equilibria of the Ternary Sn-Zn-Co System at 250°C and 500°C

    Science.gov (United States)

    Wang, Chao-hong; Huang, Sheng-en; Huang, Po-yen

    2015-12-01

    The isothermal sections of the ternary Sn-Zn-Co system (IMCs) are very limited. For the phase equilibria at 250°C, two ternary IMCs, T1 and T2, were found, whose compositions were Sn-25 at.%Zn-25 at.%Co and Sn-15 at.%Zn-41 at.%Co, respectively. For the phase equilibria at 500°C, in addition to the T2 phase, another ternary IMC, namely T3 (Sn-18 at.%Zn-37 at.%Co), was also found. Moreover, the phase stability of the T1 and T3 phases was investigated at temperatures of 260°C to 400°C in detail. The equilibrium phase was the T1 phase below 300°C, and changed to the T3 phase at 400°C. The crystal structures of these three ternary IMCs were also studied. The T1 phase has a cubic structure ( Pm3m), and the T2 and T3 phases are orthorhombic in space group Cmcm and Pnma, respectively.

  9. First-principles calculation of phase equilibria and phase separation of the Fe-Ni alloy system

    Institute of Scientific and Technical Information of China (English)

    Ying Chen; Shuichi Iwata; Tetsuo Mohri

    2006-01-01

    Theoretical investigation of the phase equilibria of the Fe-Ni alloy has been performed by combining the FLAPW total energy calculations and the Cluster Variation Method through the Cluster Expansion Method. The calculations have proved the stabilization of the L12 phase at 1:3 stoichiometry, which is in agreement with the experimental result,and predicted the existence of L10 as a stable phase below 550 K; this L10 phase has been missing in the conventional phasediagram. The calculations are extended to the Fe-rich region that is characterized by a wide range phase separation and has drawn considerable attention because of the intriguing Invar property associated with a Fe concentration of 65%. To reveal the origin of the phase separation, a P-V curve in an entire concentration range is derived by the second derivative of free energy functional of the disordered phase with respect to the volume. The calculation confirmed that the phase separation is caused by the breakdown of the mechanical-stability criterion. The newly calculated phase separation line combined with the L10 and L12 order-disordered phase boundaries provides phase equilibria in the wider concentration range of the system. Furthermore, a coefficient of thermal expansion (CTE) is attempted by incorporating the thermal vibration effect through harmonic approximation of the Debye-Gruneisen model. The Invar behavior has been reproduced, and the origin of this anomalous volume change has been discussed.

  10. Phase Equilibria Studies of the Cu-Fe-O-Si System in Equilibrium with Air and with Metallic Copper

    Science.gov (United States)

    Hidayat, Taufiq; Henao, Hector M.; Hayes, Peter C.; Jak, Evgueni

    2012-10-01

    Phase equilibria of the Cu-Fe-O-Si system have been investigated in equilibrium: (1) with air atmosphere at temperatures between 1373 K and 1673 K (1100 °C and 1400 °C) and (2) with metallic copper at temperatures between 1373 K and 1573 K (1100 °C and 1300 °C). High-temperature equilibration/quenching/electron-probe X-ray microanalysis (EPMA) techniques have been used to accurately determine the compositions of the phases in equilibrium in the system. The new experimental results are presented in the form of "Cu2O"-"Fe2O3"-SiO2 ternary sections. The relationships between the activity of CuO0.5(l) and the composition of slag in equilibrium with metallic copper are discussed. The phase equilibria information of the Cu-Fe-O-Si system is of practical importance for industrial copper production processes and for the improvement of the existing thermodynamic database of copper-containing slag systems.

  11. Chemical use

    Data.gov (United States)

    US Fish and Wildlife Service, Department of the Interior — This is a summary of research and activities related to chemical use on Neal Smith National Wildlife Refuge between 1992 and 2009. The chemicals used on the Refuge...

  12. Chemical Reactors.

    Science.gov (United States)

    Kenney, C. N.

    1980-01-01

    Describes a course, including content, reading list, and presentation on chemical reactors at Cambridge University, England. A brief comparison of chemical engineering education between the United States and England is also given. (JN)

  13. Reversed-phase ion-pair liquid chromatographic method for determination of reaction equilibria involving ionic species: exemplification of the method using ligand substitution reactions of ethylenediaminetetraacetatochromium(III) ion with acetate and phosphate ions.

    Science.gov (United States)

    Sato, Emiko; Miya, Seiko; Saitoh, Kazunori; Saito, Shingo; Shibukawa, Masami

    2011-02-18

    A reversed-phase ion-pair liquid chromatographic method is presented for the determination of reaction equilibria involving ionic species of the same charge sign as reactant and product compounds. It has been demonstrated that ion-exchange chromatography or reversed-phase ion-pair chromatography is a useful tool for the determination of equilibrium constants of chemical reactions involving ionic species such as metal complexation reactions. Previous work with these methods has been based on the assumption that the limiting retention factors of the reactant and product species are constant independent of concentration of the chemical species (X) in the mobile phase, which reacts with the analyte compound. However, when all the reactant and product species are ions of the same charge sign as that of the species X, it is virtually impossible to apply these methods to the equilibrium constant determination because the retention factors of both the reactant and product species may depend on the concentration of X. In this study, an alternative approach was developed that estimates the limiting retention factors of ionic species from the dependence of the retention factor on the ionic strength of the mobile phase. Ligand substitution reactions of ethylenediaminetetraacetatochromium(III) ion with acetate and phosphate ions were used as model reactions to test this method. The equilibrium constants determined by this method are in good agreement with those obtained by a UV-visible spectrophotometric method.

  14. Chemical sensor

    Science.gov (United States)

    Rauh, R. David (Inventor)

    1990-01-01

    A sensor for detecting a chemical substance includes an insertion element having a structure which enables insertion of the chemical substance with a resulting change in the bulk electrical characteristics of the insertion element under conditions sufficient to permit effective insertion; the change in the bulk electrical characteristics of the insertion element is detected as an indication of the presence of the chemical substance.

  15. Chemical Leukoderma.

    Science.gov (United States)

    Bonamonte, Domenico; Vestita, Michelangelo; Romita, Paolo; Filoni, Angela; Foti, Caterina; Angelini, Gianni

    2016-01-01

    Chemical leukoderma, often clinically mimicking idiopathic vitiligo and other congenital and acquired hypopigmentation, is an acquired form of cutaneous pigment loss caused by exposure to a variety of chemicals that act through selective melanocytotoxicity. Most of these chemicals are phenols and aromatic or aliphatic catechols derivatives. These chemicals, however, are harmful for melanocytes in individuals with an individual susceptibility. Nowadays, chemical leukoderma is fairly common, caused by common domestic products. The presence of numerous acquired confetti- or pea-sized macules is clinically characteristic of chemical leukoderma, albeit not diagnostic. Other relevant diagnostic elements are a history of repeated exposure to a known or suspected depigmenting agent at the sites of onset and a macules distribution corresponding to sites of chemical exposure. Spontaneous repigmentation has been reported when the causative agent is avoided; the repigmentation process is perifollicular and gradual, taking place for a variable period of weeks to months. PMID:27172302

  16. Prediction of vapor-liquid equilibria of binary systems consisting of homogeneous components by using wilson equation with parameters estimated from pure-component properties

    OpenAIRE

    KOBUCHI,Shigetoshi; Takakura, Kei; Yonezawa, Setsuko; Fkuchi, Kenji; ARAI,Yasuhiko

    2013-01-01

    A simple method previously proposed for estimating Wilson parameters on the basis of solubility parameters and molar volumes given from group-contribution methods and normal boiling points of pure substances has been adopted to predict the vapor–liquid equilibria of binary systems consisting of homogeneous components. The prediction performances are examined and discussed.

  17. Aluminum Deoxidation Equilibria in Liquid Iron: Part III—Experiments and Thermodynamic Modeling of the Fe-Mn-Al-O System

    Science.gov (United States)

    Paek, Min-Kyu; Do, Kyung-Hyo; Kang, Youn-Bae; Jung, In-Ho; Pak, Jong-Jin

    2016-10-01

    Deoxidation equilibria in high-Mn- and high-Al-alloyed liquid steels were studied over the entire Fe-Mn-Al composition range by both experiments and thermodynamic modeling. Effect of Mn on the Al deoxidation equilibria in liquid iron was measured by the different experimental techniques depending on the Al content. In order to confirm the reproducibility of the experimental results, the deoxidation experiments were carried out reversibly from high oxygen state by addition of Al as a deoxidizer, and from low oxygen state by addition of Fe2O3 or MnO as an oxygen source. For the Al-rich side, CaO flux was added on top of liquid iron in order to remove suspended Al2O3 inclusions in the melt. Based on the present experimental result and available critically evaluated literature data, the Al deoxidation equilibria in Fe-Mn-Al-O liquid alloy were thermodynamically modeled. The Modified Quasichemical Model was used in order to take into account a strong short-range ordering of atoms in molten state. Deoxidation equilibria and inclusion stability diagram for entire Fe-Mn-Al melt were successfully reproduced by the present model.

  18. Modelling the phase equilibria of multicomponent mixtures containing CO2, alkanes, water, and/or alcohols using the quadrupolar CPA equation of state

    DEFF Research Database (Denmark)

    Bjørner, Martin Gamel; Kontogeorgis, Georgios

    2016-01-01

    In this work, a quadrupolar cubic plus association (qCPA) equation of state is evaluated for its ability to predict the phase equilibria of multicomponent mixtures containing CO2 and alkanes, alcohols, and/or water. A single binary interaction parameter is employed in qCPA for all binary...

  19. Vapor Pressure Plus: An Experiment for Studying Phase Equilibria in Water, with Observation of Supercooling, Spontaneous Freezing, and the Triple Point

    Science.gov (United States)

    Tellinghuisen, Joel

    2010-01-01

    Liquid-vapor, solid-vapor, and solid-liquid-vapor equilibria are studied for the pure substance water, using modern equipment that includes specially fabricated glass cells. Samples are evaporatively frozen initially, during which they typically supercool to -5 to -10 [degrees]C before spontaneously freezing. Vacuum pumping lowers the temperature…

  20. Oxygen equilibria and ligand binding kinetics of erythrocruorins from two burrowing polychaetes of different modes of life, Marphysa sanguinea and Diopatra cuprea

    DEFF Research Database (Denmark)

    Weber, Roy E.; Bonaventura, J.; Sullivan, B.;

    1978-01-01

    Oxygen equilibria, ligand-binding kinetics and some other physicochemical properties are reported for erythrocruorins of two intertidal polychaetes:Marphysa sanguinea, which inhabits simple, relatively stagnant burrows, andDiopatra cuprea, which inhabits impermeable, parchment-like tubes that are...

  1. Equation of state modeling of the phase equilibria of asymmetric CO2+n-alkane binary systems using mixing rules cubic with respect to mole fraction

    DEFF Research Database (Denmark)

    Cismondi, Martin; Mollerup, Jørgen M.; Zabaloy, Marcelo S.

    2010-01-01

    Both the equation of state (EOS) and the quadratic mixing rules proposed by van der Waals towards the end of the XIX century were enormous contributions to the understanding and modeling of fluids phase behavior. They set the basis for a consistent and useful representation of phase equilibria fo...

  2. Surprising Impact of Remote Groups on the Folding-Unfolding and Dimer-Chain Equilibria of Bifunctionl H-Bonding Unimers

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Rui; Cheng, Shuang; Baker, Erin Shammel; Smith, Richard D.; Zeng, Xiao Cheng; Gong, Bing

    2016-01-28

    Oligoamide 1, consisting of two H-bonding units linked by a trimethylene linker, was previously found to form a very stable, folded dimer. In this work, replacing the side chains and end groups of 1 led to derivatives that show the surprising impact of end groups on the folding and dimer-chain equilibria of the resultant molecules.

  3. 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 of degr...

  4. Experimental study and modelling of competitive adsorption equilibria of aromatics in liquid phase on X and Y faujasites; Etude experimentale et modelisation des equilibres d'adsorption competitive d'aromatiques en phase liquide sur des faujasites X et Y

    Energy Technology Data Exchange (ETDEWEB)

    Tournier, H.

    2000-10-13

    The separation of p-xylene from C{sub 8} aromatics is performed industrially by selective adsorption on zeolitic molecular sieves. The aim of this work is to study and model adsorption equilibria of C{sub 8} and C{sub 10} aromatics on X and Y zeolites. The experimental data are obtained by an entirely automated equipment allowing to work in a large range of temperature (50 deg. C - 250 deg. C). With this equipment, we can follow the evolution of the composition of the liquid phase and determine the composition of the adsorbed phase at equilibrium by a mass balance calculation and with an inert component. Two analytical techniques are used to determine the composition of the liquid phase: (1) a classical method using a gas chromatograph (GC) allowed to measure selectivities in the concentration range (3%-97%) in a component; (2) an original method based on the use and on the measure of {sup 13}C labelled xylenes was developed to investigate the ranges of strongly contrasting concentrations [0-3%] and [97%-100%] in a component, which are representative of high purity domains. Lastly, three thermodynamic models are used to describe the adsorption equilibria: the Langmuir-Freundlich model, the quasi-chemical model and the statistical model. The last model is the more interesting, because it is based on physical considerations. A new statistical model has been developed with taking into account some observations coming from adsorption phenomenon in zeolites. (author)

  5. Experimental investigation of undesired stable equilibria in pumpkin shape super-pressure balloon designs

    Science.gov (United States)

    Schur, W.

    a visco-elastic film. The balloons of a third and fourth full-scale test flights experienced structural problems during a campaign in Australia in 2001. Post-flight investigations identified two problems. The first problem was apparently caused by lack of dynamic strength of the film material in its transverse direction, a property that has theretofore not been tested in balloon films. The second problem was identified through photographic evidence on the second of the two balloons. Images of the launch spool configuration and of the balloon at float altitude, indicated that excess gore-width might prevent full deployment to the design shape. This is a dangerous situation, as the proper functioning of the design requires full deployment. Search in the literature confirmed one other case of flawed but stable deployment of a pumpkin shape balloon that has been investigated by researchers. This balloon is the "Endeavor", which is an adventurer balloon that was intended for manned circumnavigation. The experimental work documented in this paper sought to identify what design aspects of pumpkin shape balloons promote faulty deployment into undesired stable equilibria and w at design aspects assure full deployment ofh pumpkin type balloons. It is argued that the features of a constant bulge shape design (the apparent design of the "Endeavor") make it unnecessarily prone to flawed deployment. The constant bulge radius design is a superior choice, but could be improved by using a smaller bulge radius between the "tropics" of the quasi-spheroid while using a larger bulge radius for the remainder of the balloon when deployment issue become critical. In that case, of course, the strength critical region is the one with the larger bulge radius. Adequate understanding of these aspects is required to design pumpkin shape super-pressure balloons with confidence. Results from studies and tests conducted as a part of the ULDB Project are discussed.

  6. Modeling of different scenarios of thin current sheet equilibria in the Earth's magnetotail

    Science.gov (United States)

    Ul'kin, A. A.; Malova, H. V.; Popov, V. Yu.; Zelenyi, L. M.

    2015-02-01

    functions of the parameters κ and b z . It is shown that, in scenario A, the current sheet thickness decreases with increasing adiabaticity parameter due to a decrease in the ion gyroradius. Accordingly, the radius of curvature of magnetic field lines decreases, which leads to an increase in the contribution of electron drift currents near the neutral plane z = 0. Numerical simulations demonstrate that current equilibria can exist if the adiabaticity parameter lies in the range 0.05 ≤ κ ≤ 0.7. At κ ˜ 0.7, the contribution of electron drift currents to the total current density is much larger than the contribution of ions and the ion motion becomes chaotic. At larger values of the adiabaticity parameter, no equilibrium solutions were found in the framework of the given one-dimensional model. Therefore, the value κ = 0.7 corresponds to the upper applicability limit of the quasi-adiabatic model of the current sheet. In scenario B, an increase in the parameter κ leads to the appearance of a large number of quasi-trapped ions in the current sheet, due to which the current sheet thickens and the amplitude of the current density decreases. As a result, equilibrium solutions exist in a much narrower range of the adiabaticity parameter, 0.05≤ κ ≤ 0.25. Consequences of the existence of parametric boundaries of equilibrium solutions for the TCS under actual geomagnetic conditions are discussed.

  7. Modeling of different scenarios of thin current sheet equilibria in the Earth’s magnetotail

    International Nuclear Information System (INIS)

    functions of the parameters κ and bz. It is shown that, in scenario A, the current sheet thickness decreases with increasing adiabaticity parameter due to a decrease in the ion gyroradius. Accordingly, the radius of curvature of magnetic field lines decreases, which leads to an increase in the contribution of electron drift currents near the neutral plane z = 0. Numerical simulations demonstrate that current equilibria can exist if the adiabaticity parameter lies in the range 0.05 ≤ κ ≤ 0.7. At κ ∼ 0.7, the contribution of electron drift currents to the total current density is much larger than the contribution of ions and the ion motion becomes chaotic. At larger values of the adiabaticity parameter, no equilibrium solutions were found in the framework of the given one-dimensional model. Therefore, the value κ = 0.7 corresponds to the upper applicability limit of the quasi-adiabatic model of the current sheet. In scenario B, an increase in the parameter κ leads to the appearance of a large number of quasi-trapped ions in the current sheet, due to which the current sheet thickens and the amplitude of the current density decreases. As a result, equilibrium solutions exist in a much narrower range of the adiabaticity parameter, 0.05≤ κ ≤ 0.25. Consequences of the existence of parametric boundaries of equilibrium solutions for the TCS under actual geomagnetic conditions are discussed

  8. Chemical compatibility between lithium oxide and transition metals

    International Nuclear Information System (INIS)

    The chemical reactions between Li2O and transition metals (Ti, V, Cr, Mn, Fe, Ni), particularly 316 steel, have been studied up to 1273 K in sealed systems under argon and also under vacuum. Pure Li2O is inherently inert towards transition metals except when such equilibria as 4Li2O + Fe = Li5FeO4 + 3Li 2Li2O + Cr = LiCrO2 + 3Li are disturbed by removal of Li by vacuum or chemical means. The results are rationalised with the known thermodynamics. LiOH impurity has a deleterious effect on the metals and accounts for some of the supposed reactivity of LI2O. It may be possible to inhibit the corrosive reaction of LiOH and LiOT towards steel, and facilitate the release of T2, by introducing metallic lithium. (orig.)

  9. NATO Advanced Study Institute on Advances in Chemical Reaction Dynamics

    CERN Document Server

    Capellos, Christos

    1986-01-01

    This book contains the formal lectures and contributed papers presented at the NATO Advanced Study Institute on. the Advances in Chemical Reaction Dynamics. The meeting convened at the city of Iraklion, Crete, Greece on 25 August 1985 and continued to 7 September 1985. The material presented describes the fundamental and recent advances in experimental and theoretical aspects of, reaction dynamics. A large section is devoted to electronically excited states, ionic species, and free radicals, relevant to chemical sys­ tems. In addition recent advances in gas phase polymerization, formation of clusters, and energy release processes in energetic materials were presented. Selected papers deal with topics such as the dynamics of electric field effects in low polar solutions, high electric field perturbations and relaxation of dipole equilibria, correlation in picosecond/laser pulse scattering, and applications to fast reaction dynamics. Picosecond transient Raman spectroscopy which has been used for the elucidati...

  10. Chemical networks*

    OpenAIRE

    Thi Wing-Fai

    2015-01-01

    This chapter discusses the fundamental ideas of how chemical networks are build, their strengths and limitations. The chemical reactions that occur in disks combine the cold phase reactions used to model cold molecular clouds with the hot chemistry applied to planetary atmosphere models. With a general understanding of the different types of reactions that can occur, one can proceed in building a network of chemical reactions and use it to explain the abundance of species seen in disks. One o...

  11. Equilibria and kinetics for pH-dependent axial ligation of bromomethyl(aquo)cobaloxime by aliphatic amine ligands

    Indian Academy of Sciences (India)

    M Bhoopal; N Ravi Kumar Reddy; S Satyanarayana

    2003-04-01

    Kinetics and equilibria of axial ligation of bromomethyl(aquo) cobaloxime by a series of straight chain primary amines (methylamine, ethylamine, propylamine, butylamine, pentylamine, hexylamine), cycloamines (cyclopentylamine, cyclohexylamine, cycloheptylamine) and secondary amines (N,N-dimethylamine, N,N-diethylamine) have been measured as functions of pH by spectrophotometric technique in aqueous solution, ionic strength 1 M (KCl) at 25°C. The rate of substitution of H2O varies with the Ka of incoming ligand, thus establishing nucleophilic participation of the ligand in the transition state. Binding and kinetic data are interpreted based on the basicity and steric influence of the entering ligand. To compare the rate constants of the entering ligands, pH independent second-order rate constants (on) are calculated.

  12. Performance of predictive models in phase equilibria of complex associating systems: PC-SAFT and CEOS/GE

    Directory of Open Access Journals (Sweden)

    N. Bender

    2013-03-01

    Full Text Available Cubic equations of state combined with excess Gibbs energy predictive models (like UNIFAC and equations of state based on applied statistical mechanics are among the main alternatives for phase equilibria prediction involving polar substances in wide temperature and pressure ranges. In this work, the predictive performances of the PC-SAFT with association contribution and Peng-Robinson (PR combined with UNIFAC (Do through mixing rules are compared. Binary and multi-component systems involving polar and non-polar substances were analyzed. Results were also compared to experimental data available in the literature. Results show a similar predictive performance for PC-SAFT with association and cubic equations combined with UNIFAC (Do through mixing rules. Although PC-SAFT with association requires less parameters, it is more complex and requires more computation time.

  13. Optimized Mie potentials for phase equilibria: Application to noble gases and their mixtures with n-alkanes

    Science.gov (United States)

    Mick, Jason R.; Soroush Barhaghi, Mohammad; Jackman, Brock; Rushaidat, Kamel; Schwiebert, Loren; Potoff, Jeffrey J.

    2015-09-01

    Transferrable force fields, based on n-6 Mie potentials, are presented for noble gases. By tuning the repulsive exponent, ni, it is possible to simultaneously reproduce experimental saturated liquid densities and vapor pressures with high accuracy, from the normal boiling point to the critical point. Vapor-liquid coexistence curves for pure fluids are calculated using histogram reweighting Monte Carlo simulations in the grand canonical ensemble. For all noble gases, saturated liquid densities and vapor pressures are reproduced to within 1% and 4% of experiment, respectively. Radial distribution functions, extracted from NVT and NPT Monte Carlo simulations, are in similarly excellent agreement with experimental data. The transferability of the optimized force fields is assessed through calculations of binary mixture vapor-liquid equilibria. These mixtures include argon + krypton, krypton + xenon, methane + krypton, methane + xenon, krypton + ethane, and xenon + ethane. For all mixtures, excellent agreement with experiment is achieved without the introduction of any binary interaction parameters or multi-body interactions.

  14. Damping of Energetic-Particle-Driven Alfven Eigenmodes in Different Magnetic Equilibria in the MST Reversed-Field Pinch

    Science.gov (United States)

    Sears, Stephanie; Anderson, Jay; Capecchi, William; Bonofiglo, Phillip; Kim, Jungha

    2015-11-01

    Alfven wave dissipation is an important mechanism behind anomalous ion heating, both in astrophysical and reversed-field pinch (RFP) plasma systems. Additionally, the damping rate has implications for the stability of energetic particle driven modes (EPMs) and their associated nonlinear dynamics and fast ion transport, which are crucial topics for any burning plasma reactor. With a 1 MW neutral beam injector on the MST RFP, a controlled set of EPMs and Alfvenic eigenmodes can be driven in this never-before-probed region of strong magnetic shear and weak externally applied magnetic field. The decay time of the average of 100s of reproducible bursts is computed for different equilibrium profiles. In this work, we report initial measurements of Alfvenic damping rates with varied RFP equilibria (including magnetic shear and flow shear) and the effects on fast ion transport. This research is supported by DOE and NSF.

  15. Phase equilibria modeling of methanol-containing systems with the CPA and sPC-SAFT equations of state

    DEFF Research Database (Denmark)

    Tybjerg, Peter Chr. V.; Kontogeorgis, Georgios; Michelsen, Michael Locht;

    2010-01-01

    Proper representation at various conditions of phase equilibria of methanol-containing mixtures (with hydrocarbons, water, etc.) is Important for oil flow assurance purposes In this work two association equations of state. CPA and sPC-SAFT, are applied to methanol-containing mixtures The purpose...... density, enthalpy of vaporization and compressibility factor data at e used Methanol-alkane vapor-liquid equilibrium (VLE) and liquid-liquid equilibrium (LLE) data. water-methanol VLE as well as water-methanol-hydrocarbon LLE are considered. It is concluded that the two association equations of state...... perform overall similarly, with the two-site association scheme being a better choice than the three-site scheme, for phase equilibrium calculations Use of the additional properties (enthalpy of vaporization and compressibility factor) in the parameter estimation has a larger effect on the performance...

  16. Optimized Mie potentials for phase equilibria: Application to noble gases and their mixtures with n-alkanes.

    Science.gov (United States)

    Mick, Jason R; Soroush Barhaghi, Mohammad; Jackman, Brock; Rushaidat, Kamel; Schwiebert, Loren; Potoff, Jeffrey J

    2015-09-21

    Transferrable force fields, based on n-6 Mie potentials, are presented for noble gases. By tuning the repulsive exponent, ni, it is possible to simultaneously reproduce experimental saturated liquid densities and vapor pressures with high accuracy, from the normal boiling point to the critical point. Vapor-liquid coexistence curves for pure fluids are calculated using histogram reweighting Monte Carlo simulations in the grand canonical ensemble. For all noble gases, saturated liquid densities and vapor pressures are reproduced to within 1% and 4% of experiment, respectively. Radial distribution functions, extracted from NVT and NPT Monte Carlo simulations, are in similarly excellent agreement with experimental data. The transferability of the optimized force fields is assessed through calculations of binary mixture vapor-liquid equilibria. These mixtures include argon + krypton, krypton + xenon, methane + krypton, methane + xenon, krypton + ethane, and xenon + ethane. For all mixtures, excellent agreement with experiment is achieved without the introduction of any binary interaction parameters or multi-body interactions. PMID:26395716

  17. Thermodynamic analysis of the cubic-tetragonal phase equilibria in the system ZrO2-YO1.5

    International Nuclear Information System (INIS)

    The cubic-tetragonal (c-t) phase equilibria in the system ZrO2-YO1.5 are thermodynamically analyzed from Landau's phenomenological theory. The calculated c-t two-phase field is depicted as a miscibility gap with a sharp maximum and the spinodal region as originally predicted by Hillert and Sakuma. However, the observed c-t two-phase field and the spinodal region are better described by the present model. In addition, this model can be used to discuss the nature of the c-t diffusionless transformation from the order parameter in contrast with the original model. The predicted change in the tetragonality of t-ZrO2 with YO1.5 content is slightly different from that in the cla axial ratio estimated from X-ray diffraction analysis. The displacement of cations and anions may not take place simultaneously during the c-t transformation

  18. Phase equilibria and liquid phase epitaxy growth of PbSnSeTe lattice matched to PbSe

    Science.gov (United States)

    Mccann, Patrick J.; Fonstad, Clifton G.; Fuchs, Jacob; Feit, Ze'ev

    1987-01-01

    The necessary phase diagram data for growing lattice-matched layers of PbSnSeTe on PbSe are presented. Solid compounds of Pb(1-x)Sn(x)Se(1-y)Te(y) lattice-matched to PbSe were grown from liquid melts consisting of (Pb/1-x/Sn/x/)(1-z)(Se/1-y/Te/y/)(z); phase equilibria data were determined together with liquidus data for values of x(liquid) from 0 to 40 percent and y(liquid) from 0 to 40 percent for temperatures between 450 and 540 C. It was found that relatively large amounts of Te must be added to the melt to achieve lattice matching because of its low segregation coefficient relative to Se. A significant lattice-pulling effect was discovered for the 5-percent Sn case, and a similar effect is expected for the 10- and 20-percent Sn cases.

  19. The human homolog of a candidate mouse t complex responder gene: conserved motifs and evolution with punctuated equilibria.

    Science.gov (United States)

    Islam, S D; Pilder, S H; Decker, C L; Cebra-Thomas, J A; Silver, L M

    1993-12-01

    The mouse Tcp-10 gene has been established as a molecular candidate for the t complex responder locus which plays a central role in the transmission ratio distortion phenotype expressed by males heterozygous for a t haplotype. Here we describe a comparison of the mouse and human TCP10 coding sequences. The results show that whole exons have been added or eliminated from the transcripts expressed in each species, suggesting an evolutionary process of punctuated equilibria for this gene. Two of the polypeptide regions that are most conserved between the two species contain specific peptide motifs. The conserved C-terminal region contains a unique nonapeptide repeat of unknown function and the conserved N-terminal region contains a pair of leucine zippers within a region that shows additional similarity to the coiled-coil regions of various cytosolic polypeptides. These results are discussed in terms of the possible function of the TCP10 protein.

  20. Phase equilibria, crystal structure and oxygen content of intermediate phases in the Y-Ba-Co-O system

    OpenAIRE

    Urusova, A. S.; Cherepanov, V. A.; Aksenova, T. V.; Gavrilova, L. Y.; Kiselev, E. A.

    2013-01-01

    The phase equilibria in the Y-Ba-Co-O system were systematically studied at 1373 K in air. The intermediate phases formed in the Y-Ba-Co-O system at 1373 K in air were: YBaCo2O5+δ, YBaCo4O 7 and BaCo1-yYyO3-δ (0.09≤y≤0.42). It was shown that YBaCo2O5+δ possesses tetragonal structure with the 3ap×3a p×2ap superstructure (sp. gr. P4/mmm). High-temperature X-ray diffraction analysis of the YBaCo2O 5+δ in the temperature range from 298 K up to 1073 K under Po2=0.21 atm has not shown any phase tra...

  1. Kinetic study of radiation-reaction-limited particle acceleration during the relaxation of unstable force-free equilibria

    CERN Document Server

    Yuan, Yajie; Zrake, Jonathan; East, William E; Blandford, Roger D

    2016-01-01

    Many powerful and variable gamma-ray sources, including pulsar wind nebulae, active galactic nuclei and gamma-ray bursts, seem capable of accelerating particles to gamma-ray emitting energies efficiently over very short time scales. These are likely due to rapid dissipation of electromagnetic energy in a highly magnetized, relativistic plasma. In order to understand the generic features of such processes, we have investigated simple models based on relaxation of unstable force-free magnetostatic equilibria. In this work, we make the connection between the corresponding plasma dynamics and the expected radiation signal, using 2D particle-in-cell simulations that self-consistently include synchrotron radiation reaction. We focus on the lowest order unstable force-free equilibrium in a 2D periodic box. We find that rapid variability, with modest apparent radiation efficiency as perceived by a fixed observer, can be produced during the evolution of the instability. The "flares" are accompanied by an increased pol...

  2. Phase equilibria in the Mg-rich corner of the Mg-Zn-La system at 350℃

    Institute of Scientific and Technical Information of China (English)

    LI Hongxiao; REN Yuping; HUANG Mingli; CHEN Qin; HAO Shiming

    2006-01-01

    The phase equilibria in the Mg-rich corner of the Mg-Zn-La system at 350℃ have been investigated by scanning electron microscopy, X-ray diffraction, and electron probe microanalysis. It has been shown that the linear compound (Mg,Zn)17La2 existed in the Mg-Zn-La system at 350℃. The linear compound (so-called T phase) was with the C-centred orthorhombic crystal structure induced by the solution of significant quantities of the third element. The three-phase region α(Mg) + MgZn(La) + T and the two-phase region composed of the α(Mg) and the linear-compound T phase existed in the Mg-rich corner of the Mg-Zn-La system at 350℃.

  3. Phase Equilibria Constraints on Relations of Ore-bearing Intrusionswith Flood Basalts in the Panxi Region, Southwestern China

    Institute of Scientific and Technical Information of China (English)

    ZHANG Zhaochong; HAO Yanli; AI Yu; LI Ying; ZHAO Li

    2009-01-01

    There are two types of temporally and spatially associated intrusions within the Emeishan large igneous province (LIP); namely, small uitramafic subvolcanic sills that host magmatic Cu-Ni-Platinum Group Element (PGE)-bearing sulfide deposits and large mafic layered intrusions that host giant Ti-V magnetite deposits in the Panxi region. However, except for their coeval ages, the genetic relations between the ore-bearing intrusions and extrusive rocks are poorly understood. Phase equilibria analysis (Q-PI-OI-Opx-Cpx system) has been carried out to elucidate whether ore-bearing Panzhihua, Xinjie and Limahe intrusions are co-magmatic with the picrites and flood basalts (including high-Ti, low-Ti and alkali basalts), respectively. In this system, the parental magma can be classified as silica-undersaturated olivine basalt and silica-saturated tholeiite. The equivalents of the parental magma of the Xinjie and Limahe peridotites and picrites and iow-Ti basalts are silica-undersaturated, whereas the Limahe gabbro-diorites and high-Ti basalts are silica-saturated. In contrast, the Panzhihua intrusion appears to be alkali character. Phase equilibria relations clearly show that the magmas that formed the Panzhihua intrusion and high-Ti basalts cannot be co-magmatic as there is no way to derive one liquid from another by fractional crystallization. On the other hand, the Panzhihua intrusion appears to be related to Permian alkali intrusions in the region, but does not appear to be related to the alkali basalts recognized in the Longzhoushan lava stratigraphy. Comparably, the Limabe intrusion appears to be a genetic relation to the picrites, whereas the Xinjie intrusion may be genetically related to be low-Ti basaits. Additionally, the gabbro-diorites and peridotites of the Limahe intrusion are not co-magmatic, and the former appears to be derived liquid from high-Ti basalts.

  4. Experimental study of the phase equilibria in the Mg–Zn–Ag ternary system at 300 °C

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Jian, E-mail: jian.wang@polymtl.ca [Center for Research in Computational Thermochemistry (CRCT), Department of Chemical Engineering, École Polytechnique, Montréal, Québec H3C 3A7 (Canada); Zhang, Yi-Nan [Department of Mechanical Engineering, Concordia University, 1455 De Maisonneuve Blvd. West, Montreal, Quebec H3G 1M8 (Canada); Hudon, Pierre; Jung, In-Ho [Department of Mining and Materials Engineering, McGill University, 3610 University Street, Montreal, Quebec H3A 0C5 (Canada); Medraj, Mamoun [Department of Mechanical Engineering, Concordia University, 1455 De Maisonneuve Blvd. West, Montreal, Quebec H3G 1M8 (Canada); Department of Mechanical and Materials Engineering, Masdar Institute, Masdar City, P.O. Box 54224, Abu Dhabi (United Arab Emirates); Chartrand, Patrice [Center for Research in Computational Thermochemistry (CRCT), Department of Chemical Engineering, École Polytechnique, Montréal, Québec H3C 3A7 (Canada)

    2015-08-05

    Highlights: • The phase equilibria of Mg–Zn–Ag system at 300 °C were determined. • A bcc continuous ternary solid solution forms between MgAg (bcc-B2) and AgZn (bcc-A2) was determined. • The extended solid solubilities of the sub-binary compounds were also determined. - Abstract: The phase equilibria in the Mg–Zn–Ag ternary system at 300 °C were investigated using three diffusion couples and 35 key samples. Scanning electron microscopy (SEM) equipped with energy-dispersive spectroscope (EDS) and X-ray diffraction (XRD) techniques were used for homogeneity ranges and crystal structure determination. Large solid solubility limits, due to substitution among Mg, Zn and Ag atoms in Mg{sub 3}Ag and MgZn{sub 2} phases, were observed in the present work. Solid solubility limits of Ag and Zn in the hcp (Mg) phase were found to be less than 1 at.%. The extended solid solubilities of the Mg{sub 12}Zn{sub 13}, Mg{sub 2}Zn{sub 3}, MgZn{sub 2} (C14), Mg{sub 2}Zn{sub 11}, Ag{sub 5}Zn{sub 8} and hcp (AgZn{sub 3}) sub-binary compounds were also determined in the Mg–Zn–Ag ternary system. In addition, a bcc continuous ternary solid solution forms between MgAg (bcc-B2) and AgZn (bcc-A2) at 300 °C.

  5. Quaternary liquid/liquid equilibria of sodium sulfate, sodium sulfite and water with two solvents: Acetone and 2-propanol

    Energy Technology Data Exchange (ETDEWEB)

    Schiozer, A.L.

    1994-03-01

    Aqueous solutions of sodium sulfate and sodium sulfite are produced from sodium carbonate in flue-gas scrubbers; recovery of these salts often requires multi-effect evaporators; however, a new energy-efficient unit operation called extractive crystallization has been shown to have reduced energy costs. In this process, an organic solvent is added to the aqueous salt solution to precipitate salt. Acetone is a suitable solvent for this process, better than 2-propanol. Liquid/liquid/solid equilibria for ternary systems containing a salt, water, and an organic solvent were measured. Systems investigated were sodium sulfite/water/acetone and sodium sulfite/water/2-propanol. Experiments were conducted at salt saturation covering a temperature range between the lower consolute temperature and 48.6{degrees}C. In the attempt to improve the extractive crystallization process for recovery of sodium sulfate from flue-gas scrubbers, attention was given to a feed containing a mixture of sodium sulfite and sodium sulfate. Liquid-liquid equilibria for quaternary systems containing two salts, water, and an organic solvent were experimentally determined at 35{degrees}C. The systems investigated were sodium sulfate/sodium sulfite/water/acetone and sodium sulfate/sodium sulfite/water/2propanol. The systems were studied at three salt ratios. For each salt ratio, experiments were conducted starting at saturation, water was then added until the one-phase region was reached. Mixtures of the two salts proved to have a small disadvantage relative to the 100 % sulfate feed process. Therefore, a sulfate-based extractive crystallization process is recommended.

  6. Chemical sensors

    Science.gov (United States)

    Lowell, J.R. Jr.; Edlund, D.J.; Friesen, D.T.; Rayfield, G.W.

    1991-07-02

    Sensors responsive to small changes in the concentration of chemical species are disclosed. The sensors comprise a mechanochemically responsive polymeric film capable of expansion or contraction in response to a change in its chemical environment. They are operatively coupled to a transducer capable of directly converting the expansion or contraction to a measurable electrical response. 9 figures.

  7. Chemical Radioprotectors

    Directory of Open Access Journals (Sweden)

    S. N. Upadhyay

    2005-10-01

    Full Text Available Protection of biological systems against radiation damage is of paramount importance during accidental and unavoidable exposure to radiation. Several physico-chemical and biological factors collectively contribute to the damage caused by radiation and are, therefore, targets for developing radioprotectors. Work on the development of chemicals capable of protecting biological systemsfrom radiation damage was initiated nearly six decades ago with cysteine being the first molecule to be reported. Chemicals capable of scavenging free radicals, inducing oxygen depletion,antioxidants and modulators of immune response have been some of the radioprotectors extensively investigated with limited success. Mechanism of action of some chemical radioprotectors and their combinations have been elucidated, while further understanding is required in many instances. The present review elaborates on structure-activity relationship of some of the chemical radioprotectors, their evaluation, and assessment, limitation, and future prospects.

  8. Degree of Chemical Non-equilibrium in Central Au-Au Collisions at RHIC energies

    CERN Document Server

    Tawfik, Abdel Nasser; Habashy, D M; Mohamed, M T; Abbas, Ehab

    2014-01-01

    We investigate the difference between hadron resonance gas (HRG) calculations for chemical freeze-out parameters at fully and partly chemical equilibria. To this end, the results are compared with the particle ratios measured in central Au-Au collisions at a wide range of nucleon-nucleon center-of-mass energies, \\hbox{$\\sqrt{s_{NN}}=7.7-200 $GeV} as offered by the STAR experiment. We restrict the discussion to STAR, because of large statistics and overall homogeneity of STAR measurements (one detector) against previous experiments. We find that the matter produced at these energies is likely in fully chemical equilibrium, which is consistent with recent lattice QCD results. The possible improvements by partial chemical equilibrium ($\\gamma_S\

  9. Hazardous Chemicals

    Centers for Disease Control (CDC) Podcasts

    2007-04-10

    Chemicals are a part of our daily lives, providing many products and modern conveniences. With more than three decades of experience, The Centers for Disease Control and Prevention (CDC) has been in the forefront of efforts to protect and assess people's exposure to environmental and hazardous chemicals. This report provides information about hazardous chemicals and useful tips on how to protect you and your family from harmful exposure.  Created: 4/10/2007 by CDC National Center for Environmental Health.   Date Released: 4/13/2007.

  10. Phase equilibria calculation of LaI3-MI (M=Na, K, Cs) binary systems

    Institute of Scientific and Technical Information of China (English)

    WANG Yu; SHAO Guoquan; LI Shaobo; SUN Yimin; QIAO Zhiyu

    2009-01-01

    The Gibbs energies of liquid phases in the LaI3-MI (M=Na, K, Cs) systems were described by the modified quasi-chemical model. From the measured phase equilibrium data of these binary systems, a set of thermodynamic functions were optimized by using the CAL-PHAD technique. The enthalpy of mixing and the interaction parameter of the liquid phase were predicted from known data for the LaI3-MI systems.

  11. Detection of interstellar DNC - Difficulties of chemical equilibrium hypothesis for enrichment

    Science.gov (United States)

    Godfrey, P. D.; Brown, R. D.; Gunn, H. I.; Blackman, G. L.; Storey, J. W. V.

    1977-01-01

    The J = 1-0 transition of DNC at 76.3058 GHz has been observed in emission in NGC 2264. Comparison with previous observations of HN(C-13) indicates that deuterium is enriched in DNC similarly to the enrichment reported for DCO(+) in this source. The DNC/HNC ratio is estimated to be about 1/24. The results cannot readily be interpreted in terms of chemical equilibria relating to the formation of DNC. It is suggested that the explanation must be sought in isotope effects on rates of formation of interstellar molecules.

  12. 用重整化群理论研究硬核Asakura-Oosawa流体的相平衡%Study on the Phase Equilibria of Hard Core Asakura-Oosawa Fluids with Renormalization-group Theory

    Institute of Scientific and Technical Information of China (English)

    付东

    2004-01-01

    An analytical equation of state (EOS) for hard core Asakura-Oosawa (AO) fluid is established by combining the AO potential, the first-order perturbation theory and the radial distribution function (RDF) for the hard sphere fluid. The phase equilibria are studied by using the renormalization-group (RG) theory. The obtained results agree well with the simulation data. Investigation shows that the attractive range parameter plays an important role in the phase equilibria for AO fluid.

  13. Chemical Peels

    Science.gov (United States)

    ... pills, who subsequently become pregnant or have a history of brownish facial discoloration. Scarring Reactivation of cold sores What can I expect after having a chemical peel? All peels require some follow-up care: ...

  14. Unnecessary Chemicals

    Science.gov (United States)

    Johnson, Anita

    1978-01-01

    Discusses the health hazards resulting from chemical additions of many common products such as cough syrups, food dyes, and cosmetics. Steps being taken to protect consumers from these health hazards are included. (MDR)

  15. Extension of LCVM-type mixing rule to three-parameter equations of state for vapor-liquid equilibria of mixtures

    Institute of Scientific and Technical Information of China (English)

    HAN Xiao-hong; CHEN Guang-ming; WANG Qin; CUI Xiao-long

    2005-01-01

    In this paper, the LCVM mixing rule is extended to the multi-parameter equations of state by combining infinite-pressure and zero-pressure mixing rule models. The new LCVM-type mixing rule, coupled with Patel-Teja equation of state(EOS) is applied for vapor-liquid equilibria of different polar and non-polar systems in which the NRTL activity coefficient model is used to calculate the excess Gibbs free energy. The tested results agree well with existing experimental data within a wide range of temperatures and pressures. In comparison with the Van der Waals mixing rule, the new mixing rule gives much better correlations for the vapor-liquid equilibria of non-polar and polar systems.

  16. Solid-Liquid Equilibria of Musk Ketone, Musk Xylene and 1,3-Dimethyl-2,4-Dinitro-5-Tert-Butyl Benzene

    Institute of Scientific and Technical Information of China (English)

    曲红梅; 白鹏; 杨志才; 余国琮

    2004-01-01

    The solid-liquid equilibria of musk ketone + musk xylene, musk xylene+1,3-dimethyl-2,4-dinitro-5-tert-butyl benzene are measured by differential scanning calorimeter (DSC), these systems are proved to be simple eutectics. Moreover the melting points and the fusion enthalpies of musk ketone, musk xylene and 1,3-dimethyl-2,4-dinitro-5-tert-butyl benzene are also measured by the DSC. These solid-liquid equilibrium data and the heats of fusion are reported for the first time. Then UNIFAC model is used to correlate the solid-liquid equilibrium data.It is shown that the solid-liquid equilibria of musk systems can be predicted bv the UNIFAC model.

  17. Vapor–liquid equilibria of triglycerides–methanol mixtures and their influence on the biodiesel synthesis under supercritical conditions of methanol

    OpenAIRE

    ALEKSANDAR ORLOVIC; DEJAN SKALA; OSCAR MONTOYA; SANDRA GLISIC

    2007-01-01

    The non-catalytic synthesis of biodiesel (fatty acids methyl esters) from triglycerides and methanol proceeds at elevated pressures above 100 bar and temperatures above 523 K. Kinetic investigations of the system revealed an unusual behavior of the reaction rate constant with increasing temperature and pressure. In order to explain this phenomenon, the phase behavior of the triglycerides–methanol mixture was investigated. The phase equilibria of the binary system sunflower oil–methanol were m...

  18. (Vapor + liquid) equilibria of the binary mixtures of m-cresol with C1-C4 aliphatic alcohols at 95.5 kPa

    International Nuclear Information System (INIS)

    Bubble point temperatures at 95.5 kPa, over the entire composition range, are measured for the binary mixtures formed by m-cresol with: methanol, ethanol, 1-propanol, 2-propanol, and n-, iso-, sec-, and tert-butanols - using a Swietoslawski-type ebulliometer. The liquid phase composition - bubble point temperature measurements are well represented by the Wilson model. (Vapor + liquid) equilibria predicted from the model are presented

  19. Asymmetric kinetic equilibria: Generalization of the BAS model for rotating magnetic profile and non-zero electric field

    Energy Technology Data Exchange (ETDEWEB)

    Dorville, Nicolas, E-mail: nicolas.dorville@lpp.polytechnique.fr; Belmont, Gérard; Aunai, Nicolas; Dargent, Jérémy; Rezeau, Laurence [LPP, Ecole Polytechnique, CNRS, UPMC, Université Paris Sud, Palaiseau (France)

    2015-09-15

    Finding kinetic equilibria for non-collisional/collisionless tangential current layers is a key issue as well for their theoretical modeling as for our understanding of the processes that disturb them, such as tearing or Kelvin Helmholtz instabilities. The famous Harris equilibrium [E. Harris, Il Nuovo Cimento Ser. 10 23, 115–121 (1962)] assumes drifting Maxwellian distributions for ions and electrons, with constant temperatures and flow velocities; these assumptions lead to symmetric layers surrounded by vacuum. This strongly particular kind of layer is not suited for the general case: asymmetric boundaries between two media with different plasmas and different magnetic fields. The standard method for constructing more general kinetic equilibria consists in using Jeans theorem, which says that any function depending only on the Hamiltonian constants of motion is a solution to the steady Vlasov equation [P. J. Channell, Phys. Fluids (1958–1988) 19, 1541 (1976); M. Roth et al., Space Sci. Rev. 76, 251–317 (1996); and F. Mottez, Phys. Plasmas 10, 1541–1545 (2003)]. The inverse implication is however not true: when using the motion invariants as variables instead of the velocity components, the general stationary particle distributions keep on depending explicitly of the position, in addition to the implicit dependence introduced by these invariants. The standard approach therefore strongly restricts the class of solutions to the problem and probably does not select the most physically reasonable. The BAS (Belmont-Aunai-Smets) model [G. Belmont et al., Phys. Plasmas 19, 022108 (2012)] used for the first time the concept of particle accessibility to find new solutions: considering the case of a coplanar-antiparallel magnetic field configuration without electric field, asymmetric solutions could be found while the standard method can only lead to symmetric ones. These solutions were validated in a hybrid simulation [N. Aunai et al., Phys. Plasmas (1994-present

  20. Supply-demand equilibria and the size-number trade-off in spatially structured recreational fisheries.

    Science.gov (United States)

    Wilson, Kyle L; Cantin, Ariane; Ward, Hillary G M; Newton, Eric R; Mee, Jonathan A; Varkey, Divya A; Parkinson, Eric A; Post, John R

    2016-06-01

    Recreational fishing effort varies across complex inland landscapes (e.g., lake-districts) and appears influenced by both angler preferences and qualities of the fishery resource, like fish size and abundance. However, fish size and abundance have an ecological trade-off within a population, thereby structuring equal-quality isopleths expressing this trade-off across the fishing landscape. Since expressed preferences of recreational anglers (i.e., site-selection of high-quality fishing opportunities among many lakes) can be analogous to optimal foraging strategies of natural predators, adopting such concepts can aid in understanding scale-dependence in fish-angler interactions and impacts of fishing across broad landscapes. Here, we assumed a fish supply-angler demand equilibria and adapted a novel bivariate measure of fishing quality based on fish size and catch rates to assess how recreational anglers influence fishing quality among a complex inland landscape. We then applied this metric to evaluate (1) angler preferences for caught and released fish compared to harvested fish, (2) the nonlinear size-numbers trade-off with uncertainty in both traits, and (3) the spatial-scale of the equilibria across 62 lakes and four independent management regions in British Columbia's (BC) rainbow trout Oncorhynchus mykiss fishery. We found anglers had low preference for caught and released fish (~10% of the value compared to harvested fish), which modified anglers' perception of fishing quality. Hence, fishing quality and angler effort was not influenced simply by total fish caught, but largely by harvested fish catch rates. Fishing quality varied from BC's northern regions (larger fish and more abundant) compared to southern regions (smaller fish and less abundant) directly associated with a 2.5 times increase in annual fishing effort in southern regions, suggesting that latent fishing pressure can structure the size-numbers trade-off in rainbow trout populations. The

  1. Asymmetric kinetic equilibria: Generalization of the BAS model for rotating magnetic profile and non-zero electric field

    International Nuclear Information System (INIS)

    Finding kinetic equilibria for non-collisional/collisionless tangential current layers is a key issue as well for their theoretical modeling as for our understanding of the processes that disturb them, such as tearing or Kelvin Helmholtz instabilities. The famous Harris equilibrium [E. Harris, Il Nuovo Cimento Ser. 10 23, 115–121 (1962)] assumes drifting Maxwellian distributions for ions and electrons, with constant temperatures and flow velocities; these assumptions lead to symmetric layers surrounded by vacuum. This strongly particular kind of layer is not suited for the general case: asymmetric boundaries between two media with different plasmas and different magnetic fields. The standard method for constructing more general kinetic equilibria consists in using Jeans theorem, which says that any function depending only on the Hamiltonian constants of motion is a solution to the steady Vlasov equation [P. J. Channell, Phys. Fluids (1958–1988) 19, 1541 (1976); M. Roth et al., Space Sci. Rev. 76, 251–317 (1996); and F. Mottez, Phys. Plasmas 10, 1541–1545 (2003)]. The inverse implication is however not true: when using the motion invariants as variables instead of the velocity components, the general stationary particle distributions keep on depending explicitly of the position, in addition to the implicit dependence introduced by these invariants. The standard approach therefore strongly restricts the class of solutions to the problem and probably does not select the most physically reasonable. The BAS (Belmont-Aunai-Smets) model [G. Belmont et al., Phys. Plasmas 19, 022108 (2012)] used for the first time the concept of particle accessibility to find new solutions: considering the case of a coplanar-antiparallel magnetic field configuration without electric field, asymmetric solutions could be found while the standard method can only lead to symmetric ones. These solutions were validated in a hybrid simulation [N. Aunai et al., Phys. Plasmas (1994-present

  2. Supply-demand equilibria and the size-number trade-off in spatially structured recreational fisheries.

    Science.gov (United States)

    Wilson, Kyle L; Cantin, Ariane; Ward, Hillary G M; Newton, Eric R; Mee, Jonathan A; Varkey, Divya A; Parkinson, Eric A; Post, John R

    2016-06-01

    Recreational fishing effort varies across complex inland landscapes (e.g., lake-districts) and appears influenced by both angler preferences and qualities of the fishery resource, like fish size and abundance. However, fish size and abundance have an ecological trade-off within a population, thereby structuring equal-quality isopleths expressing this trade-off across the fishing landscape. Since expressed preferences of recreational anglers (i.e., site-selection of high-quality fishing opportunities among many lakes) can be analogous to optimal foraging strategies of natural predators, adopting such concepts can aid in understanding scale-dependence in fish-angler interactions and impacts of fishing across broad landscapes. Here, we assumed a fish supply-angler demand equilibria and adapted a novel bivariate measure of fishing quality based on fish size and catch rates to assess how recreational anglers influence fishing quality among a complex inland landscape. We then applied this metric to evaluate (1) angler preferences for caught and released fish compared to harvested fish, (2) the nonlinear size-numbers trade-off with uncertainty in both traits, and (3) the spatial-scale of the equilibria across 62 lakes and four independent management regions in British Columbia's (BC) rainbow trout Oncorhynchus mykiss fishery. We found anglers had low preference for caught and released fish (~10% of the value compared to harvested fish), which modified anglers' perception of fishing quality. Hence, fishing quality and angler effort was not influenced simply by total fish caught, but largely by harvested fish catch rates. Fishing quality varied from BC's northern regions (larger fish and more abundant) compared to southern regions (smaller fish and less abundant) directly associated with a 2.5 times increase in annual fishing effort in southern regions, suggesting that latent fishing pressure can structure the size-numbers trade-off in rainbow trout populations. The

  3. Asymmetric kinetic equilibria: Generalization of the BAS model for rotating magnetic profile and non-zero electric field

    Science.gov (United States)

    Dorville, Nicolas; Belmont, Gérard; Aunai, Nicolas; Dargent, Jérémy; Rezeau, Laurence

    2015-09-01

    Finding kinetic equilibria for non-collisional/collisionless tangential current layers is a key issue as well for their theoretical modeling as for our understanding of the processes that disturb them, such as tearing or Kelvin Helmholtz instabilities. The famous Harris equilibrium [E. Harris, Il Nuovo Cimento Ser. 10 23, 115-121 (1962)] assumes drifting Maxwellian distributions for ions and electrons, with constant temperatures and flow velocities; these assumptions lead to symmetric layers surrounded by vacuum. This strongly particular kind of layer is not suited for the general case: asymmetric boundaries between two media with different plasmas and different magnetic fields. The standard method for constructing more general kinetic equilibria consists in using Jeans theorem, which says that any function depending only on the Hamiltonian constants of motion is a solution to the steady Vlasov equation [P. J. Channell, Phys. Fluids (1958-1988) 19, 1541 (1976); M. Roth et al., Space Sci. Rev. 76, 251-317 (1996); and F. Mottez, Phys. Plasmas 10, 1541-1545 (2003)]. The inverse implication is however not true: when using the motion invariants as variables instead of the velocity components, the general stationary particle distributions keep on depending explicitly of the position, in addition to the implicit dependence introduced by these invariants. The standard approach therefore strongly restricts the class of solutions to the problem and probably does not select the most physically reasonable. The BAS (Belmont-Aunai-Smets) model [G. Belmont et al., Phys. Plasmas 19, 022108 (2012)] used for the first time the concept of particle accessibility to find new solutions: considering the case of a coplanar-antiparallel magnetic field configuration without electric field, asymmetric solutions could be found while the standard method can only lead to symmetric ones. These solutions were validated in a hybrid simulation [N. Aunai et al., Phys. Plasmas (1994-present) 20

  4. Fac-mer equilibria of coordinated iminodiacetate (ida2-) in ternary CuII(ida)(H-1B)- complex formation (B = imidazole, benzimidazole) in aqueous solution

    Indian Academy of Sciences (India)

    Susmita Bandyopadhyay; G N Mukherjee

    2003-08-01

    pH potentiometric and spectrophotometric investigations on the complex formation equilibria of CuII with iminodiacetate (ida2-) and heterocyclic N-bases, viz. imidazole and benzimidazole (B), in aqueous solution in binary and ternary systems using different molar ratios of the reactants indicated the formation of complexes of the types, Cu(ida), Cu(ida)(OH)-, (ida)Cu(OH)Cu(ida)-, Cu(B)2+, Cu(H-1B)+, Cu(ida)(H-1B)-, (ida)Cu(B)Cu(ida) and (ida)Cu(H-1B)Cu(ida)-. Formation constants of the complexes at 25 ± 1° at a fixed ionic strength, = 0.1 mol dm-3 (NaNO3) in aqueous solution were evaluated and the complex formation equilibria were elucidated with the aid of speciation curves. Departure of the experimental values of the reproportionation constants (log Cu) of ternary Cu(ida)(H-1B)- complexes from the statistically expected values, despite their formation in appreciable amounts at equilibrium, were assigned to fac(f)-mer(m) equilibria of the ida2- ligand coordinated to CuII, as the N-heterocyclic donors, (H-1B)-, coordinate trans- to the N-(ida2-) atom in the binary Cu(ida) complex to form the ternary Cu(ida) (H-1B)- complexes.

  5. Liquid-Liquid Equilibria of Ternary Systems cis-1,2-Dimethylcyclohexane+Toluene+Sulfolane☆

    Institute of Scientific and Technical Information of China (English)

    Xiaoyan Sun; Shuguang Xiang

    2014-01-01

    Liquid–Liquid Equilibrium (LLE) data for three Ternary Systems comprising cis-1,2-dimethylcyclohexane+toluene+sulfolane were measured at 298.15, 313.15 and 328.15 K under atmospheric pressure. The phase di-agrams for the ternary systems were presented. The reliability of the experiment data was tested using the Othmer–Tobias correlation. The LLE data were then correlated with the universal functional activity coefficient for liquid–liquid systems (UNIF-LL) and non-random two liquid using dataset 2 (NRTL/2) activity coefficient models to obtain the binary interaction parameters as programmed by the Aspen Plus simulation. The results showed that the experimental data were satisfactorily represented by both the UNIF-LL and the NRTL/2 models as revealed from the very smal values of the root mean square error and the absolute deviation in composition. © 2014 The Chemical Industry and Engineering Society of China, and Chemical Industry Press. Al rights reserved.

  6. Study of the kinetics and equilibria of the oligomerization reactions of 2-methylglyceric acid

    Directory of Open Access Journals (Sweden)

    A. W. Birdsall

    2012-11-01

    Full Text Available The presence of a variety of chemical species related to the gaseous precursor isoprene in ambient secondary organic aerosol (SOA has stimulated investigations of the nature of SOA-phase chemical processing. Recent work has demonstrated that 2-methylglyceric acid (2-MG is an important isoprene-derived ambient SOA component and atmospheric chamber experiments have suggested that 2-MG may exist in oligomeric form (as oligoesters under conditions of low SOA water content. In order to better understand the thermodynamic and kinetic parameters of such oligomerization reactions, nuclear magnetic resonance techniques were used to study the bulk phase acid-catalyzed aqueous reactions (Fischer esterification of 2-MG. While the present results indicate that 2-MG oligoesters are formed in the bulk phase with similar water content equilibrium dependences as observed in atmospheric chamber SOA experiments, the acid-catalyzed rate of the Fischer esterification mechanism may be too slow to rationalize the 2-MG oligoester production timescales observed in the atmospheric chamber experiments. Furthermore, it appears that unrealistically high ambient SOA acidities would also be required for significant 2-MG oligoester content to arise via Fischer esterification. Therefore, the present results suggest that other, more kinetically facile, esterification mechanisms may be necessary to rationalize the existence of 2-MG oligomers in atmospheric chamber-generated and ambient SOA.

  7. Study of the kinetics and equilibria of the oligomerization reactions of 2-methylglyceric acid

    Directory of Open Access Journals (Sweden)

    A. W. Birdsall

    2013-03-01

    Full Text Available The presence of a variety of chemical species related to the gaseous precursor isoprene in ambient secondary organic aerosol (SOA has stimulated investigations of the nature of SOA-phase chemical processing. Recent work has demonstrated that 2-methylglyceric acid (2-MG is an important isoprene-derived ambient SOA component and atmospheric chamber experiments have suggested that 2-MG may exist in oligomeric form (as oligoesters under conditions of low SOA water content. In order to better understand the thermodynamic and kinetic parameters of such oligomerization reactions, nuclear magnetic resonance techniques were used to study the bulk phase acid-catalyzed aqueous reactions (Fischer esterification of 2-MG. While the present results indicate that 2-MG oligoesters are formed in the bulk phase with similar water content equilibrium dependences as observed in atmospheric chamber SOA experiments, the acid-catalyzed rate of the Fischer esterification mechanism may be too slow to rationalize the 2-MG oligoester production timescales observed in the atmospheric chamber experiments. Furthermore, it appears that unrealistically high ambient SOA acidities would also be required for significant 2-MG oligoester content to arise via Fischer esterification. Therefore, the present results suggest that other, more kinetically facile, esterification mechanisms may be necessary to rationalize the existence of 2-MG oligomers in atmospheric chamber-generated and ambient SOA.

  8. Solar energy combined with chemical reactive systems for the production and storage of sustainable energy. A review of thermodynamic principles

    International Nuclear Information System (INIS)

    Highlights: ► Solar radiation power. ► Chemical reactions for the production and storage of usable energy. ► Thermodynamics of solar power. ► Homogeneous and heterogeneous reactive systems. - Abstract: This review article deals with thermodynamics and thermochemistry of processes combining solar radiation power with chemical reactions for the production and storage of usable energy. Some of the most promising procedures of such processes discussed in the literature have been selected as representative examples and are analyzed on the basis of their thermodynamic principles rather than reporting on technical details and feasibility studies with respect to economic potentials. The examples studied involve pure gaseous as well as heterogeneous reactive systems where the shift of chemical equilibria at different temperatures is used to gain chemical energy. The majority of examples focusses on different multistep chemical processes for water splitting into H2 and O2 which have already been tested on laboratory and semi technical scale.

  9. Computation of Thermodynamic Equilibria Pertinent to Nuclear Materials in Multi-Physics Codes

    Science.gov (United States)

    Piro, Markus Hans Alexander

    Nuclear energy plays a vital role in supporting electrical needs and fulfilling commitments to reduce greenhouse gas emissions. Research is a continuing necessity to improve the predictive capabilities of fuel behaviour in order to reduce costs and to meet increasingly stringent safety requirements by the regulator. Moreover, a renewed interest in nuclear energy has given rise to a "nuclear renaissance" and the necessity to design the next generation of reactors. In support of this goal, significant research efforts have been dedicated to the advancement of numerical modelling and computational tools in simulating various physical and chemical phenomena associated with nuclear fuel behaviour. This undertaking in effect is collecting the experience and observations of a past generation of nuclear engineers and scientists in a meaningful way for future design purposes. There is an increasing desire to integrate thermodynamic computations directly into multi-physics nuclear fuel performance and safety codes. A new equilibrium thermodynamic solver is being developed with this matter as a primary objective. This solver is intended to provide thermodynamic material properties and boundary conditions for continuum transport calculations. There are several concerns with the use of existing commercial thermodynamic codes: computational performance; limited capabilities in handling large multi-component systems of interest to the nuclear industry; convenient incorporation into other codes with quality assurance considerations; and, licensing entanglements associated with code distribution. The development of this software in this research is aimed at addressing all of these concerns. The approach taken in this work exploits fundamental principles of equilibrium thermodynamics to simplify the numerical optimization equations. In brief, the chemical potentials of all species and phases in the system are constrained by estimates of the chemical potentials of the system

  10. Kinetics and equilibria for the axial ligation of bromomethyl (aqua)cobaloxime with pyridines - Isolation characterization and DNA binding

    Indian Academy of Sciences (India)

    Kotha Laxma Reddy; K Ashwini Kumar; N Ravi Kumar Reddy; Penumaka Nagababu; A Panasa Reddy; S Satyanarayana

    2009-11-01

    The kinetics and equilibria for the axial ligation of pyridine and substituted pyridines to bromomethyl(aqua)cobaloxime have been measured spectrophotometrically in aqueous solutions of ionic strength 1.0 M (KC1) at 25°C as a function of H. The binding constants and rate of formation increase in the order 4-NH2Py 4-EtPy > 4-MePy > Py > 2-NH2Py > 2-EtPy. The data have been interpreted based on the basicity of the ligand, -back bonding from Co(III) → L and hard and soft interactions. The rate of substitution of H2O varies with the pKa of the incoming ligand, thus establishing the existence of nucleophilic participation of the ligand in the transition state. We have investigated the DNA binding of bromomethyl(aqua)cobaloxime with DNA. Bromomethyl(ligand)cobaloximes were isolated and characterized by elemental analysis, IR and NMR (1H, 13C) spectra.

  11. Mixed-ligand complex formation equilibria of CuII with biguanide in presence of glycine as the auxiliary ligand

    Indian Academy of Sciences (India)

    Tannistha Roy Barman; G N Mukherjee

    2006-09-01

    Equilibrium study on the mixed ligand complex formation of CuII with biguanide(Bg) and glycine (HG), indicated the formation of the complexes: Cu(Bg)2+, Cu(Bg)$_{2}^{2+}$, Cu(Bg-H)(Bg)+, Cu(Bg-H)2, Cu(Bg)(OH)+, Cu(Bg-H)(OH); Cu(G)+, Cu(G)(OH), Cu(G)2; Cu(G)(Bg)+, Cu(G)(Bg-H); (G)Cu(Bg)Cu(G)2+, (G)Cu(Bg-H)Cu(G)+, and (G)Cu(Bg-2H)Cu(G). From the deprotonation constants of coordinated biguanide (Bg) in the complexes Cu(Bg)(OH)+, Cu(Bg-H)(Bg)+ and Cu(G)(Bg)+, the Lewis basicities of the coordinated ligand species (Bg-H)-, OH- and glycinate (G-) were found to be of the order: (Bg-H)- >> OH- > G-. Bridging (N1-N4, N2-N5) tetradentate mode of coordination by biguanide species Bg, (Bg-H)- and (Bg-2H)2- was indicated from the occurrence of biguanide-bridged dinuclear mixed ligand complexes (G)Cu(Bg)Cu(G)2+, (G)Cu(Bg-H)Cu(G)+, (G)Cu(Bg-2H)Cu(G) in the complexation equilibria.

  12. Effect of resonant magnetic perturbations on three dimensional equilibria in the Madison Symmetric Torus reversed-field pinch

    Science.gov (United States)

    Munaretto, S.; Chapman, B. E.; Nornberg, M. D.; Boguski, J.; DuBois, A. M.; Almagri, A. F.; Sarff, J. S.

    2016-05-01

    The orientation of 3D equilibria in the Madison Symmetric Torus (MST) [R. N. Dexter et al., Fusion Technol. 19, 131 (1991)] reversed-field pinch can now be controlled with a resonant magnetic perturbation (RMP). Absent the RMP, the orientation of the stationary 3D equilibrium varies from shot to shot in a semi-random manner, making its diagnosis difficult. Produced with a poloidal array of saddle coils at the vertical insulated cut in MST's thick conducting shell, an m = 1 RMP with an amplitude br/B ˜ 10% forces the 3D structure into any desired orientation relative to MST's diagnostics. This control has led to improved diagnosis, revealing enhancements in both the central electron temperature and density. With sufficient amplitude, the RMP also inhibits the generation of high-energy (>20 keV) electrons, which otherwise emerge due to a reduction in magnetic stochasticity in the core. Field line tracing reveals that the RMP reintroduces stochasticity to the core. A m = 3 RMP of similar amplitude has little effect on the magnetic topology or the high-energy electrons.

  13. A Modified Mixing Rule for PSRK Model and Application for the Prediction of Vapor-Liquid Equilibria of Polymer Solutions

    Institute of Scientific and Technical Information of China (English)

    李敏; 王利生; J.Gmehling

    2004-01-01

    To extend the PSRK (predictive Soave-Redlich-Kwong equation of state) model to vapor-liquid equilibria of polymer solutions, a new EOS-gE mixing rule is applied in which the term ∑xiln(b/bi) in the PSRK mixing rule for the parameter a, and the combinatorial part in the original universal functional activity coefficient (UNIFAC) model are cancelled. To take into account the free volume contribution to the excess Gibbs energy in polymer solution, a quadratic mixing rule for the cross co-volume bij with an exponent equals to 1/2 is applied [bij1/2=1/2(bi1/2+bj1/2)]. The literature reported Soave-Redlich-Kwong equation of state (SRK EOS) parameters of i3 - 2- pure polymer are employed. The PSRK model with the modified mixing rule is used to predict the vapor-liquid equilibrium (VLE) of 37 solvent-polymer systems over a large range of temperature and pressure with satisfactory results.

  14. {alpha}-NiPt(Al) and phase equilibria in the Ni-Al-Pt system at 1150 deg C

    Energy Technology Data Exchange (ETDEWEB)

    Hayashi, S. [Department of Materials Science and Engineering Iowa State University, Ames, IA 50011 (United States)]. E-mail: hayashi@eng.hokudai.ac.jp; Ford, S.I. [School of Materials Science and Engineering, The University of New South Wales, Sydney, NSW 2052 (Australia); Young, D.J. [School of Materials Science and Engineering, The University of New South Wales, Sydney, NSW 2052 (Australia); Sordelet, D.J. [Department of Materials Science and Engineering Iowa State University, Ames, IA 50011 (United States); Besser, M.F. [Department of Materials Science and Engineering Iowa State University, Ames, IA 50011 (United States); Gleeson, B. [Department of Materials Science and Engineering Iowa State University, Ames, IA 50011 (United States)

    2005-06-15

    The {alpha}-NiPt(Al) phase and its associated equilibria in the Ni-Al-Pt system at 1150 deg C were investigated by analyzing equilibrated bulk alloys and the interdiffusion zones of diffusion couples. Phase constitutions, tie-lines and microstructures were determined using a combination of techniques, including high-energy synchrotron X-ray diffraction, scanning electron microscopy and electron probe microanalysis. A large Pt solubility limit was found to exist in the {beta}-NiAl, {approx}42 at.%, and in {gamma}'-Ni{sub 3}Al, {approx}32 at.%. The {alpha}-NiPt(Al) phase was found to have wide Pt solubility range of about 33-60 at.% and to skew along an almost constant Pt/Al ratio of 1.5. The {alpha}-NiPt(Al) has an ordered face-centered tetragonal L1{sub 0} crystal structure, with the Al and Pt atoms found to be preferentially located in the corners and prismatic faces, respectively. The temperature dependence of the lattice parameters and unit cell volume of the {alpha} phase were also determined.

  15. On the conditions for up–down asymmetry in the core of tokamak equilibria: a matter of simple geometry

    International Nuclear Information System (INIS)

    Drawing from decades-long-established results on tokamak equilibria (showing that flux surfaces closely surrounding the magnetic axis are ellipses), and using basic geometry and back-of-the-envelope calculations, recent theoretical results are revisited which have revealed that, for an externally imposed tilting, the elongation and hence the up–down asymmetry (UDA) of flux surfaces in the core of a tokamak plasma are inversely proportional to the toroidal current density flowing on axis. A figure of merit is also proposed to measure on-axis UDA, which stems from a simple geometrical analysis of elliptical flux surfaces and lies between zero and one. Moreover, it is shown that the current density on axis is bounded from below by the asymmetry-controlling coefficients themselves (which are essentially set by external shaping coils), meaning there is no way around it: enforcing stronger ellipticity from the outside can only result in increasing the minimum current density allowed in the core, whereas trying to make the latter go down is only possible with milder shaping coefficients. Such a severe structural constraint is simply the manifestation of a topological necessary condition to have closed flux surfaces nested around a tokamak magnetic axis and suggests that experimental attempts to push UDA from a strongly shaped plasma boundary into the core will remain mostly elusive. (paper)

  16. Prediction of fluid phase equilibria and interfacial tension of triangle-well fluids using transition matrix Monte Carlo

    Science.gov (United States)

    Sengupta, Angan; Adhikari, Jhumpa

    2016-05-01

    The triangle-well (TW) potential is a simple model which is able to capture the essence of the intermolecular attraction in real molecules. Transition matrix Monte Carlo simulations in the grand canonical ensemble (GC-TMMC) are performed to investigate the role of the range of attraction on the features of fluid phase equilibria. As the TW potential range increases, the vapour-liquid coexistence curves shift towards a higher temperature range with the critical temperature and pressure increasing, and the critical density values decreasing. These GC-TMMC results are in excellent agreement with the predictions of Gibbs ensemble Monte Carlo and replica exchange Monte Carlo (REMC) simulations reported in literature. Using the GC-TMMC method, the vapour pressures are also computed directly from the particle number probability distributions (PNPDs). It has been noted in literature that the surface tension values are computationally more expensive and difficult to determine than other coexistence properties using molecular simulations. The PNPDs from GC-TMMC simulations along with Binder's formalism allow for the calculation of the interfacial tension with relative ease. Also, our simulation generated results for the interfacial tension are in good agreement with the literature data obtained using REMC (via the virial route) and the plots of our interfacial tension values as a function of temperature are smooth unlike the literature data.

  17. Equilibria and Free Vibration of a Two-Pulley Belt-Driven System with Belt Bending Stiffness

    Directory of Open Access Journals (Sweden)

    Jieyu Ding

    2014-01-01

    Full Text Available Nonlinear equilibrium curvatures and free vibration characteristics of a two-pulley belt-driven system with belt bending stiffness and a one-way clutch are investigated. With nonlinear dynamical tension, the transverse vibrations of the translating belt spans and the rotation motions of the pulleys and the accessory shaft are coupled. Therefore, nonlinear piecewise discrete-continuous governing equations are established. Considering the bending stiffness of the translating belt spans, the belt spans are modeled as axially moving beams. The pattern of equilibria is a nontrivial solution. Furthermore, the nontrivial equilibriums of the dynamical system are numerically determined by using two different approaches. The governing equations of the vibration near the equilibrium solutions are derived by introducing a coordinate transform. The natural frequencies of the dynamical systems are studied by using the Galerkin method with various truncations and the differential and integral quadrature methods. Moreover, the convergence of the Galerkin truncation is investigated. Numerical results reveal that the study needs 16 terms after truncation in order to determine the free vibration characteristics of the pulley-belt system with the belt bending stiffness. Furthermore, the first five natural frequencies are very sensitive to the bending stiffness of the translating belt.

  18. Defect equilibria in In- and Ga-doped CdTe

    International Nuclear Information System (INIS)

    One carried out high temperature (T ∼ 700-1300 K) measurements of the Hall effect in the atmosphere of Cd vapors for CdTe four specimens and for CdTe two specimens. One calculated the constant for In implantation in CdTe lattice from precipitates. On the basis of the system of the Kreger quasi-chemical equations one plotted models for dependence of concentration of point defects on temperature, as well as, on impurity activity that were in good conformity with the experimentally determined content of charge carriers. Occurrence of the maximums of electron concentration at temperature increase is explained by growth of concentration of donor defects due to more considerable solubility of impurity and their subsequent compensation by both intrinsic and impurity associated acceptors

  19. Phase equilibria, microstructure, and high temperature oxidation resistance of novel refractory high-entropy alloys

    Energy Technology Data Exchange (ETDEWEB)

    Gorr, B., E-mail: gorr@ifwt.mb.uni-siegen.de [Institut für Werkstofftechnik, Universität Siegen, Paul-Bonatz-Str. 9-11, 57068 Siegen (Germany); Azim, M.; Christ, H.-J. [Institut für Werkstofftechnik, Universität Siegen, Paul-Bonatz-Str. 9-11, 57068 Siegen (Germany); Mueller, T. [Institut für Bau- und Werkstoffchemie, Universität Siegen, Paul-Bonatz-Str. 9-11, 57068 Siegen (Germany); Schliephake, D.; Heilmaier, M. [Institut für Angewandte Materialien – Werkstoffkunde (IAM-WK), Karlsruhe Institute of Technology (KIT), Engelbert-Arnold-Str. 4, D-76131 Karlsruhe (Germany)

    2015-03-05

    Highlights: • A new candidate for applications at high temperature is proposed. • The calculated melting point of the alloy is 1700 °C. • The alloy possesses a simple microstructure. • The alloy exhibits perspectives in terms of mechanical properties and oxidation resistance. - Abstract: A new refractory high-entropy alloy system Mo–W–Al–Cr–x is proposed as a family of candidate materials for structural applications at high temperatures. Thermodynamic assessment was used to set the chemical composition of the first alloy as 20Mo–20W–20Al–20Cr–20Ti (at.%) with a calculated melting temperature of about 1700 °C. A single disordered BCC phase should be stable at high temperatures between 1077 °C and 1700 °C. Microstructural examination and XRD results clearly show that the alloy in the as-cast condition exhibits a non-homogeneous microstructure with pronounced dendritic and interdendritic regions. Heat treatment processes, however, reveal a strong tendency of the alloy 20Mo–20W–20Al–20Cr–20Ti to homogenize. While possessing a high hardness of around 800HV, the crack-free indents allow the assumption that the alloy studied may be intrinsically ductile at room temperature. Despite the fact that the alloy possesses 40 at.% of refractory elements, high temperature oxidation tests show a surprisingly good oxidation resistance. Strategies to enhance the long-term stability of the disordered BCC phase aiming at achieving the required mechanical properties as well as optimizing the alloy’s chemical composition in terms of high temperature oxidation resistance are discussed.

  20. Chemical Mahjong

    Science.gov (United States)

    Cossairt, Travis J.; Grubbs, W. Tandy

    2011-01-01

    An open-access, Web-based mnemonic game is described whereby introductory chemistry knowledge is tested using mahjong solitaire game play. Several tile sets and board layouts are included that are themed upon different chemical topics. Introductory tile sets can be selected that prompt the player to match element names to symbols and metric…

  1. Chemical Peels

    Science.gov (United States)

    ... resources Meet our partners Español Donate Diseases and treatments Acne and rosacea Bumps and growths Color problems Contagious skin diseases ... Chemical peels public SPOT Skin Cancer™ Diseases and treatments Acne and rosacea Bumps and growths Color problems Contagious skin diseases ...

  2. Chemical pressure

    OpenAIRE

    Hauser, Andreas; Amstutz, Nahid; Delahaye, Sandra; Sadki, Asmaâ; Schenker, Sabine; Sieber, Regula; Zerara, Mohamed

    2002-01-01

    The physical and photophysical properties of three classic transition metal complexes, namely [Fe(bpy)3]2+, [Ru(bpy)3]2+, and [Co(bpy)3]2+, can be tuned by doping them into a variety of inert crystalline host lattices. The underlying guest-host interactions are discussed in terms of a chemical pressure.

  3. Chemical dispersants

    NARCIS (Netherlands)

    Rahsepar, Shokouhalsadat; Smit, Martijn P.J.; Murk, Albertinka J.; Rijnaarts, Huub H.M.; Langenhoff, Alette A.M.

    2016-01-01

    Chemical dispersants were used in response to the Deepwater Horizon oil spill in the Gulf of Mexico, both at the sea surface and the wellhead. Their effect on oil biodegradation is unclear, as studies showed both inhibition and enhancement. This study addresses the effect of Corexit on oil biodeg

  4. Illinois basin coal fly ashes. 2. Equilibria relationships and qualitative modeling of ash-water reactions

    Science.gov (United States)

    Roy, W.R.; Griffin, R.A.

    1984-01-01

    Alkaline and acidic Illinois Basin coal fly ash samples were each mixed with deionized water and equilibrated for about 140 days to simulate ash ponding environments. Common to both equilibrated solutions, anhydrite solubility dominated Ca2+ activities, and Al3+ activities were in equilibrium with both matrix mullite and insoluble aluminum hydroxide phases. Aqueous silica activities were controlled by both mullite and matrix silicates. The pH of the extract of the acidic fly ash was 4.1 after 24 h but increased to a pH value of 6.4 as the H2SO4, assumed to be adsorbed to the particle surfaces, was exhausted by the dissolution of matrix iron oxides and aluminosilicates. The activities of aqueous Al3+ and iron, initially at high levels during the early stages of equilibration, decreased to below analytical detection limits as the result of the formation of insoluble Fe and Al hydroxide phases. The pH of the extract of the alkaline fly ash remained above a pH value of 10 during the entire equilibration interval as a result of the hydrolysis of matrix oxides. As with the acidic system, Al3+ activities were controlled by amorphous aluminum hydroxide phases that began to form after about 7 days of equilibration. The proposed mechanisms and their interrelations are discussed in addition to the solubility diagrams used to deduce these relationships. ?? 1984 American Chemical Society.

  5. Thermodynamic properties and phase equilibria of the lead-tellurium binary system

    International Nuclear Information System (INIS)

    The liquidus curve of the Pb-Te binary was measured using two different DTA systems, one employing a small sample (0.2g) and the second a large sample (5g). An additional liquidus measurement method was employed for the Pb-rich region in which the liquid equilibrated with PbTe was analyzed chemically. The liquidus for the Pb-PbTe subsystem obtained is in agreement with several sets of data reported in the literature. The literature data for the PbTe-Te are in disagreement. Our measured values resolve this discrepancy and yield an eutectic temperature of 410.9±0.80C at 89.1±0.3 at % Te. The system was thermochemically modelled using an associated solution model for the liquid phase and a defect model for PbTe. This model not only accounts for compositional and temperature dependences of the thermodynamic data but also for electron and hole concentrations within the homogeneous range of PbTe(c). (Author)

  6. Computer Program for Calculation of Complex Chemical Equilibrium Compositions, Rocket Performance, Incident and Reflected Shocks, and Chapman-Jouguet Detonations. Interim Revision, March 1976

    Science.gov (United States)

    Gordon, S.; Mcbride, B. J.

    1976-01-01

    A detailed description of the equations and computer program for computations involving chemical equilibria in complex systems is given. A free-energy minimization technique is used. The program permits calculations such as (1) chemical equilibrium for assigned thermodynamic states (T,P), (H,P), (S,P), (T,V), (U,V), or (S,V), (2) theoretical rocket performance for both equilibrium and frozen compositions during expansion, (3) incident and reflected shock properties, and (4) Chapman-Jouguet detonation properties. The program considers condensed species as well as gaseous species.

  7. A network dynamics approach to chemical reaction networks

    Science.gov (United States)

    van der Schaft, A. J.; Rao, S.; Jayawardhana, B.

    2016-04-01

    A treatment of a chemical reaction network theory is given from the perspective of nonlinear network dynamics, in particular of consensus dynamics. By starting from the complex-balanced assumption, the reaction dynamics governed by mass action kinetics can be rewritten into a form which allows for a very simple derivation of a number of key results in the chemical reaction network theory, and which directly relates to the thermodynamics and port-Hamiltonian formulation of the system. Central in this formulation is the definition of a balanced Laplacian matrix on the graph of chemical complexes together with a resulting fundamental inequality. This immediately leads to the characterisation of the set of equilibria and their stability. Furthermore, the assumption of complex balancedness is revisited from the point of view of Kirchhoff's matrix tree theorem. Both the form of the dynamics and the deduced behaviour are very similar to consensus dynamics, and provide additional perspectives to the latter. Finally, using the classical idea of extending the graph of chemical complexes by a 'zero' complex, a complete steady-state stability analysis of mass action kinetics reaction networks with constant inflows and mass action kinetics outflows is given, and a unified framework is provided for structure-preserving model reduction of this important class of open reaction networks.

  8. Computer Simulation of the Speciation of Aluminum in Acidic Natural Waters in Equilibria with the Mineral Phase Kaolinite%与高岭石固相平衡的酸性天然地表水中铝形态分布的计算机模拟

    Institute of Scientific and Technical Information of China (English)

    刘锋; 毕树平; 汤伟

    2000-01-01

    基于热力学平衡计算,用计算机模拟研究了与高岭石固相平衡的酸性天然地表水中铝的形态分布,讨论了影响铝形态分布的各种因素.同三水铝石固相平衡相比,与高岭石固相平衡的酸性天然地表水中,铝的形态分布与溶解硅酸的浓度密切相关,聚合态铝浓度较低,总溶解铝浓度明显减小约2个数量级.模型被用于实际水样的分析,所得结果与实验值符合较好.最后用Monte Carlo模拟考察了由于平衡常数的选择而带来的不确定性.%This paper presents a computer simulation to investigate the speciation of aluminum in acidic natural waters equilibria with mineral kaolinite based on the chemical equilibrium calculation.Various factors affecting the distribution and concentrations of aluminum complexes are discussed.Compared with the case of equilibria with gibbsite, some unique characteristics are discovered.This simulation has been verified by analyzing practical water samples and found in near-perfect agreement with the experimental results. The uncertainties in thermodynamic constants are evaluated by the Monte Carlo simulation.

  9. 化工分离中相平衡研究进展%Recent progress in the study of phase equilibria in chemical engineering separation

    Institute of Scientific and Technical Information of China (English)

    李群生; 郭凡

    2014-01-01

    相平衡是分离过程的理论基础,对化工分离过程中的理论研究和工业应用具有极为重要的价值.本文在介绍了汽-液相平衡热力学模型及固-液相平衡测定方法的基础上,综述了近年来以离子液体为溶剂的汽-液相平衡以及激光动态监测法固-液相平衡的研究进展,介绍了典型物系的相平衡研究近况,并在最后提出了几点对未来化工分离中相平衡重点研究方向的看法.

  10. An NMR and ab initio quantum chemical study of acid-base equilibria for conformationally constrained acidic alpha-amino acids in aqueous solution

    DEFF Research Database (Denmark)

    Nielsen, Peter Aadal; Jaroszewski, Jerzy W.; Norrby, Per-Ola;

    2001-01-01

    The protonation states of a series of piperidinedicarboxylic acids (PDAs), which are conformationally constrained acidic alpha -amino acids, have been studied by C-13 NMR titration in water. The resulting data have been correlated with theoretical results obtained by HF/6-31+G* calculations using...

  11. Chemical equilibria of lanthanides(Ln(III)=Pr, Sm, Gd, Dy)-macro-cyclic complexes with monodentate ligands in CH3OH(Part I)

    International Nuclear Information System (INIS)

    Ln-macrocyclic((20)DOTA) complexes, (Ln((20)DOTA)NO3)(H2O))(NO3)2·xH2O(Ln(III)=Pr, Sm, Gd, Dy), which had been synthesized from 2, 6-diformyl-p-cresol(DFPC), was placed in methanol for 2 days, and (Ln((20)DOTA)(NO3)(CH3OH))2+ was formed. The equilibrium constants(K) for the substitution of coordinated CH3OH in the Ln-(20)DOTA complexes by various auxiliary ligands, La(=monodentate ligands; pyridine, imidazole, triethylamine, diethylamine, piperidine) were determined spectroscopically at 25. deg. C and 0.1 M. The pKa of auxiliary ligand is in the order of pyridine < imidazole< triethylamine< diethylamine< piperidine, however the K has shown the trend of pyridine< imidazole< diethylamine< piperidine< triethylamine

  12. Kinetic Study of Radiation-reaction-limited Particle Acceleration During the Relaxation of Unstable Force-free Equilibria

    Science.gov (United States)

    Yuan, Yajie; Nalewajko, Krzysztof; Zrake, Jonathan; East, William E.; Blandford, Roger D.

    2016-09-01

    Many powerful and variable gamma-ray sources, including pulsar wind nebulae, active galactic nuclei and gamma-ray bursts, seem capable of accelerating particles to gamma-ray emitting energies efficiently over very short timescales. These are likely due to the rapid dissipation of electromagnetic energy in a highly magnetized, relativistic plasma. In order to understand the generic features of such processes, we have investigated simple models based on the relaxation of unstable force-free magnetostatic equilibria. In this work, we make the connection between the corresponding plasma dynamics and the expected radiation signal, using 2D particle-in-cell simulations that self-consistently include synchrotron radiation reactions. We focus on the lowest order unstable force-free equilibrium in a 2D periodic box. We find that rapid variability, with modest apparent radiation efficiency as perceived by a fixed observer, can be produced during the evolution of the instability. The “flares” are accompanied by an increased polarization degree in the high energy band, with rapid variation in the polarization angle. Furthermore, the separation between the acceleration sites and the synchrotron radiation sites for the highest energy particles facilitates acceleration beyond the synchrotron radiation reaction limit. We also discuss the dynamical consequences of the radiation reaction, and some astrophysical applications of this model. Our current simulations with numerically tractable parameters are not yet able to reproduce the most dramatic gamma-ray flares, e.g., from the Crab Nebula. Higher magnetization studies are promising and will be carried out in the future.

  13. Computing the Stackelberg/Nash equilibria using the extraproximal method: Convergence analysis and implementation details for Markov chains games

    Directory of Open Access Journals (Sweden)

    Trejo Kristal K.

    2015-06-01

    Full Text Available In this paper we present the extraproximal method for computing the Stackelberg/Nash equilibria in a class of ergodic controlled finite Markov chains games. We exemplify the original game formulation in terms of coupled nonlinear programming problems implementing the Lagrange principle. In addition, Tikhonov’s regularization method is employed to ensure the convergence of the cost-functions to a Stackelberg/Nash equilibrium point. Then, we transform the problem into a system of equations in the proximal format. We present a two-step iterated procedure for solving the extraproximal method: (a the first step (the extra-proximal step consists of a “prediction” which calculates the preliminary position approximation to the equilibrium point, and (b the second step is designed to find a “basic adjustment” of the previous prediction. The procedure is called the “extraproximal method” because of the use of an extrapolation. Each equation in this system is an optimization problem for which the necessary and efficient condition for a minimum is solved using a quadratic programming method. This solution approach provides a drastically quicker rate of convergence to the equilibrium point. We present the analysis of the convergence as well the rate of convergence of the method, which is one of the main results of this paper. Additionally, the extraproximal method is developed in terms of Markov chains for Stackelberg games. Our goal is to analyze completely a three-player Stackelberg game consisting of a leader and two followers. We provide all the details needed to implement the extraproximal method in an efficient and numerically stable way. For instance, a numerical technique is presented for computing the first step parameter (λ of the extraproximal method. The usefulness of the approach is successfully demonstrated by a numerical example related to a pricing oligopoly model for airlines companies.

  14. Phase Equilibria, Microstructure, and High-Temperature Strength of TiC-Added Mo-Si-B Alloys

    Science.gov (United States)

    Miyamoto, Shimpei; Yoshimi, Kyosuke; Ha, Seong-Ho; Kaneko, Takahiro; Nakamura, Junya; Sato, Tetsuya; Maruyama, Kouichi; Tu, Rong; Goto, Takashi

    2013-05-01

    TiC was added to Mo-Si-B alloys using a conventional Ar arc-melting technique, and the phase equilibria, microstructure evolution, and high-temperature strength at 1673 K (1400 °C) were investigated. The primary phase changed to Mo solid solution (Moss), Mo5SiB2 (T2), or TiC depending on the composition. Following the primary phase solidification, a Moss + TiC, Moss + T2, or Moss + T2 + TiC + Mo2C eutectic reaction took place as the secondary solidification step. In some alloys, Moss + T2 + TiC and Moss + T2 + Mo2C eutectic reactions were present as higher-order solidification steps. After annealing at 2073 K (1800 °C) for 24 hours, Moss, T2, TiC, and Mo2C coexisted stably with microstructural coarsening. The coarsening rate was much faster in an alloy with no TiC dispersion, suggesting that TiC has a strong pinning effect on the grain boundary and interface migration. Compression tests conducted at 1673 K (1400 °C) revealed strength properties of almost all the alloys that were better than those of the Mo-Hf-C alloy (MHC). Alloy densities were 9 g/cm3 or less, which is lighter than pure Mo and MHC (≥10 g/cm3) and competitive with Ni-base superalloys. TiC-added Mo-Si-B alloys are promising candidates for ultrahigh-temperature materials beyond Ni-base superalloys.

  15. Chemical carcinogenesis

    Directory of Open Access Journals (Sweden)

    Paula A. Oliveira

    2007-12-01

    Full Text Available The use of chemical compounds benefits society in a number of ways. Pesticides, for instance, enable foodstuffs to be produced in sufficient quantities to satisfy the needs of millions of people, a condition that has led to an increase in levels of life expectancy. Yet, at times, these benefits are offset by certain disadvantages, notably the toxic side effects of the chemical compounds used. Exposure to these compounds can have varying effects, ranging from instant death to a gradual process of chemical carcinogenesis. There are three stages involved in chemical carcinogenesis. These are defined as initiation, promotion and progression. Each of these stages is characterised by morphological and biochemical modifications and result from genetic and/or epigenetic alterations. These genetic modifications include: mutations in genes that control cell proliferation, cell death and DNA repair - i.e. mutations in proto-oncogenes and tumour suppressing genes. The epigenetic factors, also considered as being non-genetic in character, can also contribute to carcinogenesis via epigenetic mechanisms which silence gene expression. The control of responses to carcinogenesis through the application of several chemical, biochemical and biological techniques facilitates the identification of those basic mechanisms involved in neoplasic development. Experimental assays with laboratory animals, epidemiological studies and quick tests enable the identification of carcinogenic compounds, the dissection of many aspects of carcinogenesis, and the establishment of effective strategies to prevent the cancer which results from exposure to chemicals.A sociedade obtém numerosos benefícios da utilização de compostos químicos. A aplicação dos pesticidas, por exemplo, permitiu obter alimento em quantidade suficiente para satisfazer as necessidades alimentares de milhões de pessoas, condição relacionada com o aumento da esperança de vida. Os benefícios estão, por

  16. Chemical cosmology

    CERN Document Server

    Boeyens, Jan CA

    2010-01-01

    The composition of the most remote objects brought into view by the Hubble telescope can no longer be reconciled with the nucleogenesis of standard cosmology and the alternative explanation, in terms of the LAMBDA-Cold-Dark-Matter model, has no recognizable chemical basis. A more rational scheme, based on the chemistry and periodicity of atomic matter, opens up an exciting new interpretation of the cosmos in terms of projective geometry and general relativity. The response of atomic structure to environmental pressure predicts non-Doppler cosmical redshifts and equilibrium nucleogenesis by alp

  17. Physical-chemical conditions of ore deposition

    Science.gov (United States)

    Barton, Paul B.

    Ore deposits form under a wide range of physical and chemical conditions, but those precipitating from hot, aqueous fluids-i.e. the hydrothermal deposits-form generally below 700°C and at pressures of only 1 or 2 kbar or less. Natural aqueous fluids in rocks may extract metal and sulfur from a variety of rock types or may acquire them as a residual heritage from a crystallizing silicate magma. Ore-forming hydrothermal fluids never appear as hot springs (except in deep, submarine situations) because they boil, mix with surface waters, and cool, thereby losing their ore-bearing ability before reaching the surface. Mineral systems function as chemical buffers and indicators just as buffers and indicators function in a chemical laboratory. By reading the record written in the buffer/indicator assemblages of minerals one can reconstruct many aspects of the former chemical environment. By studying the record of changing conditions one may deduce information regarding the processes functioning to create the succession of chemical environments and the ore deposits they represent. The example of the OH vein at Creede, Colorado, shows a pH buffered by the K-feldspar + muscovite + quartz assemblage and the covariation of S 2 and O 2 buffered by the assemblage chlorite + pyrite + quartz. Boiling of the ore fluid led to its oxidation to hematite-bearing assemblages and simultaneously produced an intensely altered, sericitic capping over the vein in response to the condensation of vapors bearing acidic components. The solubility of metals as calculated from experimental and theoretical studies of mineral solubility appears too low by at least one or two powers of ten to explain the mineralization at Creede. In contrast to Creede where the mineral stabilities all point to a relatively consistent chemistry, the Mississippi Valley type deposits present a puzzle of conflicting chemical clues that are impossible to reconcile with any single equilibrium situation. Thus we must

  18. Modeling phase equilibria of semiclathrate hydrates of CH4, CO2 and N2 in aqueous solution of tetra-(n)-butyl ammonium bromide

    Institute of Scientific and Technical Information of China (English)

    Abhishek Joshi; Prathyusha Mekala; Jitendra S.Sangwai

    2012-01-01

    Semiclathrate hydrates of tetra-(n)-butyl ammonium bromide (TBAB) offer potential solution for gas storage,transportation,separation of flue gases and CO2 sequestration.Models for phase equilibria for these systems have not yet been developed in open literatures and thus require urgent attention.In this work,the first attempt has been made to model phase equilibria of semiclathrate hydrates of CH4,CO2 and N2 in aqueous solution of TBAB.A thermodynamic model for gas hydrate system as proposed by Chen and Guo has been extended for semiclathrate hydrates of gases in aqueous solution of TBAB.A correlation for the activity of water relating to the system temperature,concentration of TBAB in the system and the nature of guest gas molecule has been proposed.The model results have been validated against available experimental data on phase equilibria of semiclathrate hydrate systems of aqueous TBAB with different gases as guest molecule.The extended Chen and Guo's model is found to be suitable to explain the promotion effect of TBAB for the studied gaseous system such as,methane,carbon dioxide and nitrogen as a guest molecule.Additionally,a correlation for the increase in equilibrium formation temperature (hydrate promotion temperature,△Tp) of semiclathrate hydrate system with respect to pure gas hydrate system has been developed and applied to semiclathrate hydrate of TBAB with several gases as guest molecules.The developed correlation is found to predict the promotion effect satisfactorily for the system studied.

  19. Chemical spectroscopy

    International Nuclear Information System (INIS)

    The purpose of chemical spectroscopy with neutrons is to utilize the dependence of neutron scattering cross-sections on isotope and on momentum transfer (which probes the spatial extent of the excitation) to understand fundamental and applied aspects of the dynamics of molecules and fluids. Chemical spectroscopy is divided into three energy ranges: vibrational spectroscopy, 25-500 MeV, for which much of the work is done on Be-filter analyzer instruments; low energy spectroscopy, less than 25 MeV; and high resolution spectroscopy, less than 1 MeV, which typically is performed on backscattering spectrometers. Representative examples of measurements of the Q-depenence of vibrational spectra, higher energy resolution as well as extension of the Q-range to lower values at high energy transfers, and provisions of higher sensitivities in vibrational spectroscopy are discussed. High resolution, high sensitivity, and polarization analysis studies in low energy spectroscopy are discussed. Applications of very high resolution spectroscopy are also discussed

  20. Vapor-liquid (VLE) and liquid-liquid (LLE) phase equilibria calculations for polystyrene plus methyleyclohexane and polystyrene plus cyclohexane solutions

    DEFF Research Database (Denmark)

    Wilczura-Wachnik, H.; Jonsdottir, Svava Osk

    2006-01-01

    This paper presents the vapor-liquid (VLE) and liquid-liquid (LLE) phase equilibria predictions for polystyrene in two theta solvents: cyclohexane and methylcyclohexane. VLE calculations were performed with the Elbro free volume method and a modified version of the PC-SAFT method, as well...... as with three UNIFAC type group contribution models: Entropic Free Volume + UNIFAC VLE 1 coeff., Entropic Free Volume + UNIFAC VLE 2coeff., and Oishi-Prausnitz + UNIFAC VLE 2coeff. Solvent activities were calculated for the polystyrene + cyclohexane and polystyrene + methylcyclohcxane solutions, and compared...

  1. Calculation of constants of acid-base equilibria at the oxide-electrolyte interface from electrokinetic potential dependence on pH

    International Nuclear Information System (INIS)

    Method is proposed for calculating the constants of acid-base equilibria at the oxide-electrolyte interface. The method is based on the electrokinetic potential dependence on ph value at different electrolyte concentrations. It is shown that the calculated constant values for La2O3 and ZrO2 equal correspondingly 7.3 and 3.9 (pK10); 11.9 and 9.1 (pK20); 9.2 and 5.8 (pK30); 10.0 and 7.2 (pK40) agree well with literature data. 21 refs.; 3 figs.; 3 tabs

  2. Modeling Phase Equilibria for Acid Gas Mixtures using the Cubic-Plus-Association Equation of State. 3. Applications Relevant to Liquid or Supercritical CO2 Transport

    DEFF Research Database (Denmark)

    Tsivintzelis, Ioannis; Ali, Shahid; Kontogeorgis, Georgios

    2014-01-01

    ” for applying CPA to acid gas mixtures. The overall conclusion is that CPA performs satisfactorily; the model in most cases correlates well binary data and predicts with good accuracy multicomponent vapor–liquid equilibria. Among the various approaches investigated, the best ones are when cross association...... of CO2 with water is accounted for or when CO2 is considered to be a self-associating molecule (with three or four sites). The final choice on the best approach requires investigating a much larger set of mixtures including also alcohols and glycols, which will be considered in future works....

  3. Chemical intolerance

    DEFF Research Database (Denmark)

    Dantoft, Thomas Meinertz; Andersson, Linus; Nordin, Steven;

    2015-01-01

    are available, the presence of the condition can only be established in accordance to criteria definitions. Numerous modes of action have been suggested to explain CI, with the most commonly discussed theories involving the immune system, central nervous system, olfactory and respiratory systems as well...... chemical sensitivity (MCS). The symptoms reported by CI subjects are manifold, involving symptoms from multiple organs systems. In severe cases of CI, the condition can cause considerable life-style limitations with severe social, occupational and economic consequences. As no diagnostic tools for CI...... or offered health care solutions with limited or no effect, and they experience being met with mistrust and doubt by health care professionals, the social care system and by friends and relatives. Evidence-based treatment options are currently unavailable, however, a person-centered care model based...

  4. The Structure of the Set of Critical Equilibria with a Kind of Extensive Incomplete Markets%一类推广的不完全市场临界均衡的结构

    Institute of Scientific and Technical Information of China (English)

    陈景华

    2001-01-01

    给出具有名义资产的单个商品的不完全市场的均衡模型,给出临界均衡、临界经济的概念,并证明了临界均衡集合是均衡集合的闭的零测子集.%Give the general equilibrium model of incomplete markets with money and a single good in each state of nature.Then give the definition of critical equilibria,critical economies and proves that the set of critical equilibria is closed and has measure zero in the equilibrium set.

  5. Chemical vapor deposition of ZrC within a spouted bed by bromide process

    Science.gov (United States)

    Ogawa, T.; Ikawa, K.; Iwamoto, K.

    1981-03-01

    ZrC coatings by chemical vapor deposition were applied to particles of ThO 2, UO 2 and Al 2O 3 at 1623-1873 K. The feed gas mixture consisted of ZrBr 4, CH 4, H 2 and Ar. The results were compared with the calculated chemical equilibria in the Zr-C-H-Br system. It was shown that the weight and composition of the deposit can be calculated by thermochemical analysis after correcting the methane flow rate for a pyrolysis efficiency. Predominant reaction presumably occurring were derived by a mass balance consideration on the calculated equilibrium species. A simplified model of the ZrC deposition was proposed.

  6. Modelling of associating mixtures for applications in the oil & gas and chemical industries

    DEFF Research Database (Denmark)

    Kontogeorgis, Georgios; Folas, Georgios; Muro Sunè, Nuria;

    2007-01-01

    -polar (non self-associating) compounds it reduces to SRK. The model was first published in 1996 and since then it has been developed and applied with success to binary systems containing water-alkanes and alcohol/glycol/acid-alkanes (both VLE and LLE) as well as ternary and multicomponent (V)LLE for water......-alcohol (glycol)-alkanes and certain acid and amine-containing mixtures. Recent results include glycol-aromatic hydrocarbons including multiphase, multicomponent equilibria and gas hydrate calculations in combination with the van der Waals-Platteeuw model. This article will outline some new applications...... of the model of relevance to the petroleum and chemical industries: high pressure vapor-liquid and liquid-liquid equilibrium in alcohol-containing mixtures, mixtures with gas hydrate inhibitors and mixtures with polar and hydrogen bonding chemicals including organic acids. Some comparisons with conventional...

  7. An Experimental Investigation on the Static Equilibria and Dynamics of Liquid Bridges. Degree Awarded by the University of Alabama, 1997

    Science.gov (United States)

    Resnick, Andrew Howard

    1997-01-01

    A liquid bridge is a volume of liquid held between two or more solid supports. In the case of small disk supports with a sharp edge, the contact line between the bridge and the support disk will be anchored along the edge of the disk. For these cases the solid presents a geometrical singularity and the contact angle is indeterminate within a given range. This dissertation presents research conducted on liquid bridges with anchored contact lines. The three major topics covered are: determining the role of support geometry on static equilibria, liquid bridge dynamical behavior, and forces exerted by a liquid bridge on a support structure. The work was primarily experimental and conducted in a "Plateau tank" that allowed for the simulation of equivalent low-gravity conditions. The main thrust of the experimental work involved the use of a high resolution optical measurement system for imaging the dynamic zone shape, measurement of the static and dynamic contact angles and non-invasive analysis of excited surface modes. The liquid bridge was manipulated by computer controlled linear actuators which allowed precise control over the physical characteristics of the bridge. Experiments have been carried out to locate a bifurcation point along the maximum volume axisymmetric stability margin. Below the critical slenderness the bifurcation from an axisymmetric to a stable nonaxisymmetric configuration is supercritical. However, above this critical slenderness, the bifurcation is subcritical. A series of experiments analyzed the effect on axisymmetric bridge stability by using support disks of different radii, The shape behavior as transition points were approached, as well as the limiting case of a vanishing support radius was investigated. Experiments were performed to determine the resonant frequencies of axisymmetric bridges subject to lateral vibrations. Anomolous results led to a series of experiments to characterize nonlinearities present in the dynamic bridge shape

  8. Gamete types, sex determination and stable equilibria of all-hybrid populations of diploid and triploid edible frogs (Pelophylax esculentus

    Directory of Open Access Journals (Sweden)

    Christiansen Ditte G

    2009-06-01

    Full Text Available Abstract Background Triploid individuals often play a key role in speciation by hybridization. An understanding of the gamete types (ploidy and genomic content and stability of hybrid populations with triploid individuals is therefore of importance for exploring the role of hybridization in evolution. The all-hybrid populations of the edible frog, Pelophylax esculentus, are unique in their composition and genetic dynamics: Diploid (genotype LR and triploid (LLR and LRR hybrids depend on each other's different gamete contributions for successful reproduction and maintenance of the populations, as the parental genotypes P. lessonae (LL and P. ridibundus (RR are absent among adults. This study provides data and interpretations on gamete types and sex determination that are essential for understanding the function, evolutionary potential and threats of this intriguing system. Results Dissection of metamorphs from a crossing experiment confirmed that sex determination is an XX-XY system with the Y confined to the L genome. From microsatellite analysis of parents and offspring from the crossings, gamete frequencies could be deduced: Triploids of both sexes mostly made haploid gametes with the genome they had in double dose, however LLR females also made approximately 10% LL gametes by automixis. LR frogs showed much variation in their gamete production. In LRR-rich populations, their LR sperm production was sufficiently high (22% to explain the observed proportion of LRR males, the formation of which has not previously been understood. A model was constructed to calculate equilibrium genotype proportions for different population types on the basis of the gamete proportions found. These equilibria agreed well with empirical literature data. Conclusion If population differentiation with respect to genotype proportions is really driven by gamete patterns, as strongly suggested by the present study, all-hybrid populations constitute not one, but several

  9. Neutral and non-neutral collisionless plasma equilibria for twisted flux tubes: The Gold-Hoyle model in a background field

    CERN Document Server

    Allanson, O; Neukirch, T

    2016-01-01

    We calculate exact one-dimensional collisionless plasma equilibria for a continuum of flux tube models, for which the total magnetic field is made up of the `force-free' Gold-Hoyle magnetic flux tube embedded in a uniform and anti-parallel background magnetic field. For a sufficiently weak background magnetic field, the axial component of the total magnetic field reverses at some finite radius. The presence of the background magnetic field means that the total system is not exactly force-free, but by reducing its magnitude the departure from force-free can be made as small as desired. The distribution function for each species is a function of the three constants of motion; namely the Hamiltonian and the canonical momenta in the axial and azimuthal directions. Poisson's Equation and Amp\\`{e}re's Law are solved exactly, and the solution allows either electrically neutral or non-neutral configurations, depending on the values of the bulk ion and electron flows. These equilibria have possible applications in var...

  10. The Gibbs free energy of nukundamite (Cu3.38Fe0.62S4): A correction and implications for phase equilibria

    Science.gov (United States)

    Seal, R.R., II; Inan, E.E.; Hemingway, B.S.

    2001-01-01

    The Gibbs free energy of formation of nukundamite (Cu3.38Fe0.62S4) was calculated from published experimental studies of the reaction 3.25 Cu3.38Fe0.62S4 + S2 = 11 CuS + 2 FeS2 in order to correct an erroneous expression in the published record. The correct expression describing the Gibbs free energy of formation (kJ???mol-1) of nukundamite relative to the elements and ideal S2 gas is ??fG?? nukundamite T(K) = -549.75 + 0.23242 T + 3.1284 T0.5, with an uncertainty of 0.6%. An evaluation of the phase equilibria of nukundamite with associated phases in the system Cu-Fe-S as a function of temperature and sulfur fugacity indicates that nukundamite is stable from 224 to 501??C at high sulfidation states. At its greatest extent, at 434??C, the stability field of nukundamite is only 0.4 log f(S2) units wide, which explains its rarity. Equilibria between nukundamite and bornite, which limit the stability of both phases, involve bornite compositions that deviate significantly from stoichiometric Cu5FeS4. Under equilibrium conditions in the system Cu-Fe-S, nukundamite + chalcopyrite is not a stable assemblage at any temperature.

  11. Accurate measurement of phase equilibria and dissociation enthalpies of HFC-134a hydrates in the presence of NaCl for potential application in desalination

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Dongyoung; Lee, Yohan; Choi, Wonjung; Seo, Yongwon [Ulsan National Institute of Science and Technology, Ulsan (Korea, Republic of); Lee, Seungmin [Korea Institute of Industrial Technology, Busan (Korea, Republic of)

    2016-04-15

    Phase equilibria, structure identification, and dissociation enthalpies of HFC-134a hydrates in the presence of NaCl are investigated for potential application in desalination. To verify the influence of NaCl on the thermodynamic hydrate stability of the HFC-134a hydrate, the three-phase (hydrate (H) - liquid water (L{sub W}) - vapor (V)) equilibria of the HFC-134a+NaCl (0, 3.5, and 8.0 wt%)+water systems are measured by both a conventional isochoric (pVT) method and a stepwise differential scanning calorimeter (DSC) method. Both pVT and DSC methods demonstrate reliable and consistent hydrate phase equilibrium points of the HFC-134a hydrates in the presence of NaCl. The HFC- 134a hydrate is identified as sII via powder X-ray diffraction. The dissociation enthalpies (ΔH{sub d}) of the HFC-134a hydrates in the presence of NaCl are also measured with a high pressure micro-differential scanning calorimeter. The salinity results in significant thermodynamic inhibition of the HFC-134a hydrates, whereas it has little effect on the dissociation enthalpy of the HFC-134a hydrates. The experimental results obtained in this study can be utilized as foundational data for the hydrate-based desalination process.

  12. In situ chemical degradation of DNAPLS in contaminated soils and sediments

    Energy Technology Data Exchange (ETDEWEB)

    Gates, D.D.; Korte, N.E.; Siegrist, R.L. [Oak Ridge National Lab., TN (United States)

    1996-08-01

    An emerging approach to in situ treatment of organic contaminants is chemical degradation. The specific processes discussed in this chapter are in situ chemical oxidation using either hydrogen peroxide (H{sub 2}O{sub 2}) or potassium permanganate (KMnO{sub 4}) and in situ dechlorination of halogenated hydrocarbons using zero-valence base metals such as iron. These technologies are primarily chemical treatment processes, where the treatment goal is to manipulate the chemistry of the subsurface environment in such a manner that the contaminants of interest are destroyed and/or rendered non-toxic. Chemical properties that can be altered include pH, ionic strength, oxidation and reduction potential, and chemical equilibria. In situ contaminant destruction processes alter or destroy contaminants in place and are typically applied to compounds that can be either converted to innocuous species such as CO{sub 2} and water, or can be degraded to species that are non-toxic or amenable to other in situ processes (i.e., bioremediation). With in situ chemical oxidation, the delivery and distribution of chemical reagents are critical to process effectiveness. In contrast, published approaches for the use of zero valence base metals suggest passive approaches in which the metals are used in a permeable reaction wall installed in situ in the saturated zone. Both types of processes are receiving increasing attention and are being applied both in technology demonstration and as final solutions to subsurface contaminant problems. 43 refs., 9 figs., 1 tab.

  13. Chemical information science coverage in Chemical Abstracts.

    Science.gov (United States)

    Wiggins, G

    1987-02-01

    For many years Chemical Abstracts has included in its coverage publications on chemical documentation or chemical information science. Although the bulk of those publications can be found in section 20 of Chemical Abstracts, many relevant articles were found scattered among 39 other sections of CA in 1984-1985. In addition to the scattering of references in CA, the comprehensiveness of Chemical Abstracts as a secondary source for chemical information science is called into question. Data are provided on the journals that contributed the most references on chemical information science and on the languages of publication of relevant articles.

  14. On steady electromagnetic equilibria

    Science.gov (United States)

    Lehnert, B.

    1986-12-01

    The existence of steady electromagnetic equilibrium states predicted by an extended Lorentz invariant formulation of Maxwell's equations is analyzed. General equilibrium solutions are outlined which lead to integrated field quantities of the system, such as total charge qo, magnetic moment Mo, mass mo and angular momentum so. The quantization of moMo/qo in terms of Bohr magnetons is shown to be equivalent to the proposed resonance condition of circulating self-confined radiation. Exact equilibrium solutions were deduced in two simple cases, thereby leading to a so of the same order as that of the electron, and to a qo one order of magnitude larger than the electronic charge. A variational procedure is suggested in search for states of minimum charge, under the subsidiary quantum conditions on moMo/qo and so, i.e., by varying the profile of the electric space charge distribution.

  15. Equilibria of Chinese Auctions

    DEFF Research Database (Denmark)

    Branzei, Simina; Forero, Clara; Larson, Kate;

    Chinese auctions are a combination between a raffle and an auction and are held in practice at charity events or festivals. In a Chinese auction, multiple players compete for several items by buying tickets, which can be used to win the items. In front of each item there is a basket...... are symmetric when both valuations and budgets are symmetric. We also study Chinese auctions with discrete budgets, for which we give both existence results and counterexamples. While the literature on rent-seeking contests traditionally focuses on continuous costly tickets, the discrete variant is very natural...

  16. Can markets compute equilibria?

    CERN Document Server

    Monroe , Hunter K

    2009-01-01

    Recent turmoil in financial and commodities markets has renewed questions regarding how well markets discover equilibrium prices, particularly when those markets are highly complex. A relatively new critique questions whether markets can realistically find equilibrium prices if computers cannot. For instance, in a simple exchange economy with Leontief preferences, the time required to compute equilibrium prices using the fastest known techniques is an exponential function of the number of goods. Furthermore, no efficient technique for this problem exists if a famous mathematical conjecture is

  17. Competitive Response and Equilibria

    OpenAIRE

    Rajiv Lal; V. Padmanabhan

    1995-01-01

    This paper investigates the relationship between market share and promotional expenditures the long run. Using data that span a decade and 91 product categories we find that market shares are stationary for a majority of the products in the data base. We find that relative promotional expenditures for the products are offsetting in the long run. Finally, for products whose market shares show a trend, it is difficult to discern the impact of relative promotional expenditure on the evolution of...

  18. Free-boundary equilibria

    International Nuclear Information System (INIS)

    A self-contained MHD description of the Helias class stellarators is obtained by determining appropriate external currents (coils) producing the Helias vacuum field and by the subsequent computing of the free-boundary equilibrium. Coil configurations are calculated with the NESCOIL code, the free-boundary equilibrium is studied via the NEMEC code, which combines the 3D fixed-boundary VMEC code and the NESTOR code for determining the vacuum field surrounding the plasma. Results for the 5081 Helias configuration, being considered for the W VII-X device are shown. The 5081 is a five-period device with aspect ratio 10 and a rotational transform between 0.8 and 1.0. It is MHD stable up to a beta value of 0.05

  19. Continua of Underemployment Equilibria

    NARCIS (Netherlands)

    Herings, P.J.J.; Dreze, J.

    1998-01-01

    In this paper the existence of unemployment is partly explained as being the result of coordination failures. This is achieved by considering a standard general equilibriummodel and splitting the set of commodities in two groups. The first group contains commodities like gold. The prices of these co

  20. Consistent expectations equilibria

    NARCIS (Netherlands)

    C.H. Hommes; G. Sorger

    2004-01-01

    Complex dynamics in economics arise from nonlinear systems that do not converge to a fixed point, a limit cycle, or explode or implode exponentially due to endogenous factors. They arise from cybernetics, catastrophe theory, chaos theory, or the varieties of modern complexity theory, including model

  1. Institutions, Equilibria and Efficiency

    DEFF Research Database (Denmark)

    membership are evaluated. Core equivalence is shown for bargaining economies. The theory of risk aversion is extended and the relation between risk taking and wealth is experimentally investigated. Other topics include: determinacy in OLG with cash-in-advance constraints, income distribution and democracy...... in OLG, learning in OLG and in games, optimal pricing of derivative securities, the impact of heterogeneity...

  2. An integrated chemical and stable-isotope model of the origin of Midocean Ridge Hot Spring Systems

    Science.gov (United States)

    Bowers, Teresa Suter; Taylor, Hugh P., Jr.

    1985-12-01

    Chemical and isotopic changes accompanying seawater-basalt interaction in axial midocean ridge hydrothermal systems are modeled with the aid of chemical equilibria and mass transfer computer programs, incorporating provision for addition and subtraction of a wide-range of reactant and product minerals, as well as cation and oxygen and hydrogen isotopic exchange equilibria. The models involve stepwise introduction of fresh basalt into progressively modified seawater at discrete temperature intervals from 100° to 350°C, with an overall water-rock ratio of about 0.5 being constrained by an assumed δ18OH2O at 350°C of +2.0 per mil (H. Craig, personal communication, 1984). This is a realistic model because: (1) the grade of hydrothermal metamorphism increases sharply downward in the oceanic crust; (2) the water-rock ratio is high (>50) at low temperatures and low (demand that the major portion of the water-rock interaction occur at temperatures of 300°-350°C. Interaction at temperatures below approximately 250°C results in negative δ18OH2O shifts, contrary to the observed positive δ18O values of the fluids exiting at midocean ridge vents. Hydrogen isotope fractionation curves by Suzuoki and Epstein (1976), Lambert and Epstein (1980), and Liu and Epstein (1984), among others, are compatible with the model, and require δDH2O to increase at all temperatures as a result of seawater-basalt interaction.

  3. Ternary and quaternary (liquid + liquid) equilibria for (water + ethanol + {alpha}-pinene, +{beta}-pinene, or +limonene) and (water + ethanol + {alpha}-pinene + limonene) at the temperature 298.15 K

    Energy Technology Data Exchange (ETDEWEB)

    Li Hengde [Department of Chemistry and Chemical Engineering, Division of Material Engineering and Material Sciences, Graduate School of Natural Science and Technology, Kanazawa University, Kakuma-machi, Kanazawa 920-1192 (Japan); Tamura, Kazuhiro [Department of Chemistry and Chemical Engineering, Division of Material Engineering and Material Sciences, Graduate School of Natural Science and Technology, Kanazawa University, Kakuma-machi, Kanazawa 920-1192 (Japan)]. E-mail: tamura@t.kanazawa-u.ac.jp

    2006-08-15

    (Liquid + liquid) equilibria and tie-lines for the ternary (water + ethanol + {alpha}-pinene, or {beta}-pinene or limonene) and quaternary (water + ethanol + {alpha}-pinene + limonene) mixtures have been measured at T = 298.15 K. The experimental multicomponent (liquid + liquid) equilibrium data have been successfully represented in terms of the modified UNIQUAC model with binary parameters.

  4. Vapour liquid equilibria of monocaprylin plus palmitic acid or methyl stearate at P=(1.20 and 2.50) kPa by using DSC technique

    DEFF Research Database (Denmark)

    Cunico, Larissa P.; Damaceno, Daniela S.; Matricarde Falleiro, Rafael M.;

    2015-01-01

    The Differential Scanning Calorimetry (DSC) technique is used for measuring isobaric (vapour+liquid) equilibria for two binary mixtures: {monocaprylin+palmitic acid (system 1) or methyl stearate (system 2)} at two different pressures P=(1.20 and 2.50) kPa. The obtained PTx data are correlated by ...

  5. Generalized mass action systems: Complex balancing equilibria and sign vectors of the stoichiometric and kinetic-order subspaces

    OpenAIRE

    Müller, Stefan; Regensburger, Georg

    2012-01-01

    Mass action systems capture chemical reaction networks in homogeneous and dilute solutions. We suggest a notion of generalized mass action systems that admits arbitrary nonnegative power-law rate functions and serves as a more realistic model for reaction networks in intracellular environments. In addition to the chemical complexes and the related stoichiometric subspace, we introduce corresponding kinetic complexes, which represent the nonnegative exponents in the rate functions and determin...

  6. Progress report on SYVAC chemical speciation modelling studies during 1983/4

    International Nuclear Information System (INIS)

    This report summarises progress made on the SYVAC (System Variability Analysis program) chemical speciation project during 1983-4. Chemical speciation is defined and its importance in the SYVAC approach to Radioactive Waste Management is discussed. Computer modelling of chemical equilibria is described and the two programs presently operational at UWIST - SOLMNQ and MINEQL - are compared and discussed in detail. In view of the shortcomings of the databases supplied with these programs, a new database of equilibrium constants has been compiled containing 483 aqueous species and 329 solid phases, including data for the radionuclides uranium, plutonium, americium, neptunium and thorium. The collaborative work with AERE, Harwell, is reported. A leaching experiment carried out at Harwell has been modelled using the chemical speciation programs. The results for uranium, plutonium, americium and neptunium, are presented. However, the experimental data provided by AERE is insufficient for accurate simulations. Chemical speciation studies relating to specific sites require accurate characterisation of the groundwater, i.e. chemical composition, Eh and pH. In the absence of such information, preliminary studies have been made using an average granite groundwater. The results of these studies are presented and include solubility and speciation plots for uranium, plutonium, thorium and neptunium. The future aims of the project are discussed. (author)

  7. Active chlorine and nitric oxide formation from chemical rocket plume afterburning

    Science.gov (United States)

    Leone, D. M.; Turns, S. R.

    1994-01-01

    Chlorine and oxides of nitrogen (NO(x)) released into the atmosphere contribute to acid rain (ground level or low-altitude sources) and ozone depletion from the stratosphere (high-altitude sources). Rocket engines have the potential for forming or activating these pollutants in the rocket plume. For instance, H2/O2 rockets can produce thermal NO(x) in their plumes. Emphasis, in the past, has been placed on determining the impact of chlorine release on the stratosphere. To date, very little, if any, information is available to understand what contribution NO(x) emissions from ground-based engine testing and actual rocket launches have on the atmosphere. The goal of this work is to estimate the afterburning emissions from chemical rocket plumes and determine their local stratospheric impact. Our study focuses on the space shuttle rocket motors, which include both the solid rocket boosters (SRB's) and the liquid propellant main engines (SSME's). Rocket plume afterburning is modeled employing a one-dimensional model incorporating two chemical kinetic systems: chemical and thermal equilibria with overlayed nitric oxide chemical kinetics (semi equilibrium) and full finite-rate chemical kinetics. Additionally, the local atmospheric impact immediately following a launch is modeled as the emissions diffuse and chemically react in the stratosphere.

  8. [Lawrence Berkeley Laboratory] Chemical Sciences Division annual report 1991

    Energy Technology Data Exchange (ETDEWEB)

    1992-09-01

    Summaries are given of research in the following fields: photochemistry of materials in stratosphere, energy transfer and structural studies of molecules on surfaces, laser sources and techniques, crossed molecular beams, molecular interactions, theory of atomic and molecular collision processes, selective photochemistry, photodissociation of free radicals, physical chemistry with emphasis on thermodynamic properties, chemical physics at high photon energies, high-energy atomic physics, atomic physics, high-energy oxidizers and delocalized-electron solids, catalytic hydrogenation of CO, transition metal-catalyzed conversion of CO, NO, H[sub 2], and organic molecules to fuels and petrochemicals, formation of oxyacids of sulfur from SO[sub 2], potentially catalytic and conducting organometallics, actinide chemistry, and molecular thermodynamics for phase equilibria in mixtures. Under exploratory R and D funds, the following are discussed: technical evaluation of beamlines and experimental stations for chemical cynamics applications at the ALS synchrotron, and molecular beam threshold time-of-flight spectroscopy of rare gas atoms. Research on normal and superconducting properties of high-[Tc] systems is reported under work for others. (DLC)

  9. [Lawrence Berkeley Laboratory] Chemical Sciences Division annual report 1991

    Energy Technology Data Exchange (ETDEWEB)

    1992-09-01

    Summaries are given of research in the following fields: photochemistry of materials in stratosphere, energy transfer and structural studies of molecules on surfaces, laser sources and techniques, crossed molecular beams, molecular interactions, theory of atomic and molecular collision processes, selective photochemistry, photodissociation of free radicals, physical chemistry with emphasis on thermodynamic properties, chemical physics at high photon energies, high-energy atomic physics, atomic physics, high-energy oxidizers and delocalized-electron solids, catalytic hydrogenation of CO, transition metal-catalyzed conversion of CO, NO, H{sub 2}, and organic molecules to fuels and petrochemicals, formation of oxyacids of sulfur from SO{sub 2}, potentially catalytic and conducting organometallics, actinide chemistry, and molecular thermodynamics for phase equilibria in mixtures. Under exploratory R and D funds, the following are discussed: technical evaluation of beamlines and experimental stations for chemical cynamics applications at the ALS synchrotron, and molecular beam threshold time-of-flight spectroscopy of rare gas atoms. Research on normal and superconducting properties of high-{Tc} systems is reported under work for others. (DLC)

  10. Coenzyme B12 model studies: An HSAB approach to the equilibria and kinetics of axial ligation of alkyl(aquo)-cobaloximes by imidazole and cyanide

    Indian Academy of Sciences (India)

    Vaddeboina Sridhar; S Satyanarayana

    2000-12-01

    Kinetics and equilibria of the axial ligation of alkyl(aquo)cobaloximes by imidazole and cyanide have been measured spectrophotometrically in aqueous solutions of ionic strength 1.0 M at 25°C as a function of H. Comparison of IMD and CN- of CH3, C2H5 and BrCH2 cobaloximes indicates that their stability is in the order BrCH2 > CH3 > C2H5. As the electron-withdrawing capacity of the alkyl group trans to water increases, the electron density of the cobalt(III) decreases and thus it becomes a stronger Lewis acid and binds more strongly to imidazole and cyanide. The association and dissociation rate constants are better correlated to the relative softness of the ligand showing that cyanide binds 30 times faster than imidazole. These complexes are isolated and are characterized by IR and 1H NMR spectra.

  11. Isobaric vapor-liquid equilibria for binary systems α-phenylethylamine + toluene and α-phenylethylamine + cyclohexane at 100 kPa

    Science.gov (United States)

    Wu, Xiaoru; Gao, Yingyu; Ban, Chunlan; Huang, Qiang

    2016-09-01

    In this paper the results of the vapor-liquid equilibria study at 100 kPa are presented for two binary systems: α-phenylethylamine(1) + toluene (2) and (α-phenylethylamine(1) + cyclohexane(2)). The binary VLE data of the two systems were correlated by the Wilson, NRTL, and UNIQUAC models. For each binary system the deviations between the results of the correlations and the experimental data have been calculated. For the both binary systems the average relative deviations in temperature for the three models were lower than 0.99%. The average absolute deviations in vapour phase composition (mole fractions) and in temperature T were lower than 0.0271 and 1.93 K, respectively. Thermodynamic consistency has been tested for all vapor-liquid equilibrium data by the Herrington method. The values calculated by Wilson and NRTL equations satisfied the thermodynamics consistency test for the both two systems, while the values calculated by UNIQUAC equation didn't.

  12. Phase equilibria in the Li-Ti-O system and physical properties of Li sub 2 TiO sub 3

    CERN Document Server

    Kleykamp, H

    2002-01-01

    The phase equilibria of the pseudo-binary Li sub 2 O-TiO sub 2 system and the stoichiometry shift of Li sub 2 TiO sub 3 during the Li transmutation process are investigated. The structural properties, the thermal expansion, enthalpy, heat capacity, enthalpy of transformation and melting, thermal conductivity and the vapourisation behaviour of Li sub 2 TiO sub 3 are assessed. The ternary Li-Ti-O system is treated with emphasis to the characteristic of Li sub 2 TiO sub 3 under reducing conditions. The phase is reduced to LiTiO sub 2 with the Ti valence +3 due to its transition metal character.

  13. Phase Equilibria of Quaternary SystemNaCl-NaBr-Na2B4O7-H2O at 348 K

    Institute of Scientific and Technical Information of China (English)

    LI Ting; SANG Shi-hua; CUI Rui-zhi; ZHANG Kai-jie

    2013-01-01

    The phase equilibria of quatemary system NaC1-NaBr-Na2B4O7-H2O at 348 K were studied by the isothermal equilibrium method.The solubilities and densities of the equilibrium solution were determined.According to the experimental data,the phase diagram,density-composition diagrams and water content diagram of the quaternary system at 348 K were plotted respectively.And the phase diagram consists of one univariant curve,two crystallization fields and without any invariant point of the quaternary system.The equilibrium solid phases of the two crystallization fields were Na(C1,Br) and Na2B4O7·SH2O.The experimental results show that the quaternary system contained solid solution.The densities of the solution decrease with increasing NaC1 concentration and increase with increasing NaBr concentration.

  14. Phase equilibria in SmS-In2S3, SmSe-In23Se3 and SmTe-In2Te3 systems

    International Nuclear Information System (INIS)

    Phase equilibria are studied for the first time and state diagrams of SmS-In2S3, SmSe-In23Se3 and SmTe-In2Te3 systems are plotted for the first time using physicochemical analysis techniques. Formations of SmIn2S4, SmIN-4S7, SmIn2Se4 and SmIn2Te4 composition samarium chalcoindates and limited ranges of solubility characteristic for indium sesqui-chalcogenites are determined. SmIn2S4 compound is melted congruently under 1570 K, while SmIn4S7, SmIn2Se4 and SmIn2Te4 are formed by peritectic reaction

  15. Isobaric vapor liquid equilibria data for the binary system (glycidyl butyrate + acetone, glycidyl butyrate + carbon tetrachloride, glycidyl butyrate + chloroform) at atmospheric pressure 101 kPa

    Science.gov (United States)

    Huang, Qiang; Meng, Qingyi; Ban, Chunlan; Zhang, Rui; Gao, Yingyu

    2016-09-01

    Isobaric vapor liquid equilibria (VLE) for the binary mixtures of glycidyl butyrate(1) + acetone(2), glycidyl butyrate(1) + carbon tetrachloride(2) and glycidyl butyrate(1) + chloroform(2) at 101 kPa were studied. The experimental data were satisfactorily correlated with the models of Wilson, NRTL and UNIQUAC activity coefficients. The activity coefficients for the equilibrium data were obtained by the nonlinear least square method. The average relative deviations between experimental temperatures and calculated temperatures by the Wilson, NRTL and UNIQUAC models were 0.16, 0.16, 0.23% for glycidyl butyrate(1) + chloroform( 2), 0.38, 0.12, 0.27% for glycidylbutyrate(1) + carbon tetrachloride(2), and 0.67, 0.13, 0.54% for glycidyl butyrate(1) + acetone(2). Azeotrope behavior was not found for these systems. The thermodynamic consistency of the correlations was checked by the Herrington's area test.

  16. Determination of protolytic equilibria for methyl 3-azido-6-iodo-2,3,6-trideoxy-α- D- arabino-hexopyranoside by ab initio and spectrophotometric methods

    Science.gov (United States)

    Dąbrowska, Aleksandra; Makowski, Mariusz; Jacewicz, Dagmara; Chylewska, Agnieszka; Chmurzyński, Lech

    2008-12-01

    UV absorption spectra of methyl 3-azido-6-iodo-2,3,6-trideoxy-α- D- arabino-hexopyranoside were recorded over a wide pH range. On this basis, a relationship between absorbance and pH was plotted, from which deprotonation equilibrium constants of this compound were determined. Further, quantum-mechanical calculations were performed at the ab initio level both in the gas phase by using the Restricted Hartree Fock (RHF), Møller-Plesset (MP2) methods and under consideration of solvation effects within the Polarizable Continuum Model (PCM), which enabled location of preferred protonation and deprotonation centers of this compound. The results provided the basis for discussion of the influence of substituents in the sugar ring on protolytic equilibria occurring in aqueous solutions of 3-azido-2,3-dideoxy sugars.

  17. Phase Equilibria and Plate-fluid Interfacial Tensions for Four-site Associating Lennard-Jones Fluids Confined in Slit Pores

    Institute of Scientific and Technical Information of China (English)

    FU Dong; YAN Shu-Mei; WANG Xue-Min

    2008-01-01

    The excess Helmholtz free energy functional for four-site associating Lennard-Jones(LJ)fluid was formulated in terms of a modified fundamental measure theory for short-ranged interactions and a first-order mean-spherical approximation theory for long-ranged attraction.Within the framework of density functional theory,the thermodynamic properties including the average density isotherms,density profiles and fractions of not bonded monomers characterizing the coexistences between gas-like and liquid-like phases for capillary condensation,phase equilibria and equilibrium plate-fluid interfacial tensions were investigated.The influences of association energy,fluid-solid interaction and pore width on the inhomogeneous behavior of four-site associating LJ fluids confined in slit pores were discussed.

  18. Influence of oxygen pressure on phase equilibria in the Ln-Mn-O (Ln = Sm, Tb, Dy, Yb, and Lu) systems

    International Nuclear Information System (INIS)

    The influence of oxygen pressure on phase equilibria during thermal dissociation in the Ln-Mn-O (Ln = Sm, Tb, Dy, Yb, and Lu) systems was studied by the static method on a vacuum circulation unit with subsequent X-ray analysis of quenched solid phases. The reduction of the double oxides was found to occur according to the reactions LnMn2O5 = LnMnO3 + (1/3)Mn3O4 + (1/3)O2, LnMnO3 = (1/2)Ln2O3 + MnO + (1/4)O2, for which the temperature dependences of equilibrium oxygen pressure were determined over the temperature range 973-1220 K. The Gibbs energies of dissociation of the double oxides were calculated. Interrelation between the type of lanthanides and the thermal properties of the compounds was analyzed

  19. Pressure driven currents near magnetic islands in 3D MHD equilibria: Effects of pressure variation within flux surfaces and of symmetry

    Science.gov (United States)

    Reiman, Allan H.

    2016-07-01

    In toroidal, magnetically confined plasmas, the heat and particle transport is strongly anisotropic, with transport along the field lines sufficiently strong relative to cross-field transport that the equilibrium pressure can generally be regarded as constant on the flux surfaces in much of the plasma. The regions near small magnetic islands, and those near the X-lines of larger islands, are exceptions, having a significant variation of the pressure within the flux surfaces. It is shown here that the variation of the equilibrium pressure within the flux surfaces in those regions has significant consequences for the pressure driven currents. It is further shown that the consequences are strongly affected by the symmetry of the magnetic field if the field is invariant under combined reflection in the poloidal and toroidal angles. (This symmetry property is called "stellarator symmetry.") In non-stellarator-symmetric equilibria, the pressure-driven currents have logarithmic singularities at the X-lines. In stellarator-symmetric MHD equilibria, the singular components of the pressure-driven currents vanish. These equilibria are to be contrasted with equilibria having B ṡ∇p =0 , where the singular components of the pressure-driven currents vanish regardless of the symmetry. They are also to be contrasted with 3D MHD equilibrium solutions that are constrained to have simply nested flux surfaces, where the pressure-driven current goes like 1 /x near rational surfaces, where x is the distance from the rational surface, except in the case of quasi-symmetric flux surfaces. For the purpose of calculating the pressure-driven currents near magnetic islands, we work with a closed subset of the MHD equilibrium equations that involves only perpendicular force balance, and is decoupled from parallel force balance. It is not correct to use the parallel component of the conventional MHD force balance equation, B ṡ∇p =0 , near magnetic islands. Small but nonzero values of B

  20. Thermodynamic modeling of naringenin protonation equilibria in NaClO4 aqueous solutions by specific ion interaction theory and Pitzer equations

    Indian Academy of Sciences (India)

    Morteza Jabbari; Rahele Zhiani; Ali Farajtabar

    2015-06-01

    The protonation equilibria for the flavonoid naringenin were studied at 25°C using combined multiwavelength spectroscopic and pH-potentiometric methods as a function of the ionic strength. Over a wide range of ionic strengths, 0.10–3.00 mol dm−3, the investigation was performed in different aqueous solutions of NaClO4 as the background electrolyte. The dependence on ionic strength of protonation constants was modeled by the Brönsted–Guggenheim–Scatchard Specific Ion Interaction Theory (SIT) and Pitzer approaches. Apart from the values of SIT interaction coefficients and Pitzer parameters, the protonation constants at infinite dilution (zero ionic strength) were obtained. On the basis of these results, it was found that Pitzer mode l gives more satisfactory results rather than the SIT method.

  1. Precise determinations of the equilibria kyanite sillimanite and kyanite andalusite and a revised triple point for Al2SiO5 polymorphs

    Science.gov (United States)

    Bohlen, Steven R.; Montana, Art; Kerrick, Derrill M.

    1991-01-01

    Investigates the equilibria kyanite ??? sillimanite and kyanite ??? andalusite using the piston-cylinder apparatus to refine the phase relationships among Al2SiO3 polymorphs. Experiments at the US Geological Survey constrain the kyanite ??? sillimanite equilibrium to 14.3-14.6, 11.4-11.7, 9.5-10.0, and 6.0-6.5 kbar at 1000, 900, 800, and 600??C, respectively. At UCLA, experiments limite the equilibrium to 14.4-14.6, >12.9, 11.8-12.2 and 7.0-8.0 kbar at 1000, 950, 900, and 700??C, respectively. The equilibrium kyanite ??? andalusite was reversed between 7.4 and 8.0 kbar, 800??C at UCLA. -from Authors

  2. Studies on the Physical Adsorption Equilibria of Gases on Porous Solids over a Wide Temperature Range Spanning the Critical Region——Adsorption on Microporous Activated Carbon

    Institute of Scientific and Technical Information of China (English)

    周亚平; 白书培; 周理; 杨斌

    2001-01-01

    Adsorption equilibria of nitrogen and methane on microporous (<2 nm) activated carbon were measured for a wide temperature range (103—298 K) spanning the critical region. Information relating to Henry constants, the isosteric heat of adsorption, and the amnount of limiting adsorption were evaluated. All isotherms show type-I features for both sub- and supercritical temperatures. A new isotherm equation and a consideration for the importance of the effect of the adsorbed phase volume allow this kind of isotherms to be modeled satisfactorily. The model parameter of the saturated amount of absolute adsorpaon (nt0) equals the limiting adsorption amount (nlim), leaving the physical meaning of the latter clarified, and the exponent parameter (q) proves to be an appropriate index of surface heterogeneity.

  3. Equilibria and kinetics for H-dependent axial ligation of alkyl(aquo) cobaloximes with aromatic and aliphatic N-donor ligands

    Indian Academy of Sciences (India)

    V Sridhar; D Sudarshan Reddy; N Ravikumar Reddy; S Satyanarayana

    2002-02-01

    Equilibria and kinetics of the reaction of bromomethyl(aquo) cobaloxime with histamine, histidine, glycine and ethyl glycine ester and iodomethyl(aquo) cobaloxime with cyanide, imidazole and substituted imidazoles were studied as a function of H at 25°C, 1.0 M ionic strength (KCl) by spectrophotometry technique. The rate of substitution of H2O varies with the of the incoming ligand, thus establishing the existence of nucleophilic participation of the ligand in the transition state. Dissociation kinetic reactions were also studied as a function of H. Binding and kinetic data were interpreted based on the basicity, steric crowd of the entering ligand and HSAB principle. To compare the rate constants of the entering ligands H independent second-order rate constants were calculated.

  4. Tales from supereruptions: Combining pumice and mineral textures with phase equilibria to constrain the evolution of giant silicic magma bodies in the crust

    Science.gov (United States)

    Gualda, G. A. R.; Pamukcu, A. S.; Wright, K. A.; Ghiorso, M. S.; Miller, C. F.

    2014-12-01

    Supereruption deposits demonstrate that giant magma bodies sporadically exist within the Earth's crust. We rely on study of such deposits to better understand the underlying magma bodies and their eruptions. We are studying several deposits: Bishop Tuff (BT, CA USA), Peach Spring Tuff (PST, SW USA), and Oruanui Tuff (OT, NZ). We combine quantitative textural characterization in 3D via x-ray tomography (XRT), focusing particularly on CSDs of major and accessory minerals; characterization of mineral zoning, particularly of Ti and CL in quartz, including inferences from diffusion chronometry; documentation of glass inclusion textures in 3D via XRT, with implications to crystallization timescales; and phase equilibria modeling (rhyolite-MELTS), including glass (inclusion and matrix) composition geobarometry, to constrain crystallization conditions. CSDs ubiquitously record a growth-dominated regime, characterized by limited nucleation, consistent with pre-eruptive crystallization under low supersaturation. Phenocryst interiors are largely unzoned, consistent with phase equilibria predictions of nearly invariant, effectively isothermal crystallization. Glass compositions record storage over a large spread of depths (~125-250 MPa) for early and late-erupted BT, while the OT represents multiple magma batches evacuated from different depths. Diffusion chronometry and melt inclusion faceting suggest pre-eruptive crystallization over centennial timescales. CSDs and mineral textures also record syn-eruptive crystallization, which results in huge numbers of small crystals, revealing extensive nucleation prior to eruption. Crystal rims develop on pre-existing phenocrysts, and they can be obvious if compositionally distinct from interiors (BT and PST). In PST, evidence for rim crystallization from hotter magma is very strong. BT contrasts with PST in many ways; evidence for heating is ambiguous, and pumice properties are difficult to reconcile with magma mixing, while the

  5. Microfluidic chemical reaction circuits

    Science.gov (United States)

    Lee, Chung-cheng; Sui, Guodong; Elizarov, Arkadij; Kolb, Hartmuth C.; Huang, Jiang; Heath, James R.; Phelps, Michael E.; Quake, Stephen R.; Tseng, Hsian-rong; Wyatt, Paul; Daridon, Antoine

    2012-06-26

    New microfluidic devices, useful for carrying out chemical reactions, are provided. The devices are adapted for on-chip solvent exchange, chemical processes requiring multiple chemical reactions, and rapid concentration of reagents.

  6. New mathematical method for the solution of gas-gas equilibria with special application to HTGR primary-coolant environments

    International Nuclear Information System (INIS)

    A new mathematical method and corresponding computer program have been developed that provide a general method for the numerical solution of an equilibrium problem involving the chemical interactions of gaseous species. The method and computer code were developed to calculate the equilibrium concentrations of impurity gases, such as CO, CO2, H2, H2O, CH4, and O2, which may be approached as the result of gaseous chemical reactions occurring within the hot primary coolant helium of a high-temperature gas-cooled reactor (HTGR). The method, however, can be applied to any gas mixture

  7. Chemical Security Analysis Center

    Data.gov (United States)

    Federal Laboratory Consortium — In 2006, by Presidential Directive, DHS established the Chemical Security Analysis Center (CSAC) to identify and assess chemical threats and vulnerabilities in the...

  8. CO2置换CH4水合物的相平衡研究进展%Research progressed in phase equilibria research on replacement of CH4 from hydrate with CO2

    Institute of Scientific and Technical Information of China (English)

    周琳淞; 郭平; 杜建芬; 霍建立

    2013-01-01

    This paper summarized recent phase equilibria research on replacement of CH4 from hydrate with CO2, including replacement mechanism, phase equilibria experiments, influence factors of mixed hydrate phase equilibria and the application of phase equilibria study. Electrolyte solution and microwave reflect the electrical force on the formation of hydrate. Interfacial tension, adsorption on the phase equilibria conditions need to be considered when using surfactants or porous medium. Impacts of gas component on hydrate formation were related to hydrate phase equilibria conditions and interaction between the components. Phase equilibria experiments used observation method, which may have errors, and not suitable for the research of hydrate formation in porous media. Therefore, the combination of microscopic imaging technique and chromatographic analysis technique may be needed in the experiment. The research on phase equilibria of liquid or emulsion CO2 may need to be future studied, considering its advantages in transportation, injection, separation and replacement effects. Actual conditions of the CO2 replacement process are different from experimental conditions, with greater impacts heat injection or depressurization. Therefore phase equilibria in multiple physical fields changes for porous medium sediments.%总结了近年来国内外 CO2置换 CH4水合物的相平衡研究成果,包括置换机理、相平衡实验、混合水合物相平衡的影响因素及相平衡研究的应用。研究表明,电解质溶液、微波等体现了电场对水合物形成的作用力;表面活性剂、多孔介质需要考虑界面张力、吸附等作用对相平衡条件的影响;气体组分对水合物形成的影响与各自的水合物相平衡条件、组分之间的相互作用有一定关系。目前的相平衡实验研究多采用观察法,有一定的误差,并且无法研究多孔介质内的水合物形成情况,因此需要结合一些微观成像

  9. Modeling the liquid-liquid equilibria of water plus fluorocarbons with the cubic-plus-association equation of state

    DEFF Research Database (Denmark)

    Oliveira, Mariana B.; Freire, Mara G.; Marrucho, Isabel M.;

    2007-01-01

    Fluorocarbons (FCs) are a family of chemicals that are composed primarily of carbon and fluorine. They present weak intermolecular and strong intramolecular interactions, which confers them unusual thermophysical properties. They can also solubilize large amounts of gases such as oxygen and carbo...

  10. The efficiency of driving chemical reactions by a physical non-equilibrium is kinetically controlled.

    Science.gov (United States)

    Göppel, Tobias; Palyulin, Vladimir V; Gerland, Ulrich

    2016-07-27

    An out-of-equilibrium physical environment can drive chemical reactions into thermodynamically unfavorable regimes. Under prebiotic conditions such a coupling between physical and chemical non-equilibria may have enabled the spontaneous emergence of primitive evolutionary processes. Here, we study the coupling efficiency within a theoretical model that is inspired by recent laboratory experiments, but focuses on generic effects arising whenever reactant and product molecules have different transport coefficients in a flow-through system. In our model, the physical non-equilibrium is represented by a drift-diffusion process, which is a valid coarse-grained description for the interplay between thermophoresis and convection, as well as for many other molecular transport processes. As a simple chemical reaction, we consider a reversible dimerization process, which is coupled to the transport process by different drift velocities for monomers and dimers. Within this minimal model, the coupling efficiency between the non-equilibrium transport process and the chemical reaction can be analyzed in all parameter regimes. The analysis shows that the efficiency depends strongly on the Damköhler number, a parameter that measures the relative timescales associated with the transport and reaction kinetics. Our model and results will be useful for a better understanding of the conditions for which non-equilibrium environments can provide a significant driving force for chemical reactions in a prebiotic setting. PMID:27147197

  11. The chemical life(1).

    Science.gov (United States)

    Hodges, Nathan

    2015-01-01

    You write this narrative autoethnography to open up a conversation about our chemical lives. You go through your day with chemical mindfulness, questioning taken-for-granted ideas about natural and artificial, healthy and unhealthy, dependency and addiction, trying to understand the chemical messages we consume through the experiences of everyday life. You reflect on how messages about chemicals influence and structure our lives and why some chemicals are celebrated and some are condemned. Using a second-person narrative voice, you show how the personal is relational and the chemical is cultural. You write because you seek a connection, a chemical bond. PMID:24905820

  12. The chemical life(1).

    Science.gov (United States)

    Hodges, Nathan

    2015-01-01

    You write this narrative autoethnography to open up a conversation about our chemical lives. You go through your day with chemical mindfulness, questioning taken-for-granted ideas about natural and artificial, healthy and unhealthy, dependency and addiction, trying to understand the chemical messages we consume through the experiences of everyday life. You reflect on how messages about chemicals influence and structure our lives and why some chemicals are celebrated and some are condemned. Using a second-person narrative voice, you show how the personal is relational and the chemical is cultural. You write because you seek a connection, a chemical bond.

  13. Coordination, microprotonation equilibria and conformational changes of myo-inositol hexakisphosphate with pertinence to its biological function.

    Science.gov (United States)

    Veiga, Nicolás; Torres, Julia; Macho, Israel; Gómez, Kerman; González, Gabriel; Kremer, Carlos

    2014-11-21

    Within all the eukaryotic cells there is an important group of biomolecules that has been potentially related to signalling functions: the myo-inositol phosphates (InsPs). In nature, the most abundant member of this family is the so called InsP6 (phytate, L(12-)), for which our group has strived in the past to elucidate its intricate chemical behaviour. In this work we expand on our earlier findings, shedding light on the inframolecular details of its protonation and complexation processes. We evaluate systematically the chemical performance of InsP6 in the presence and absence of alkali and alkaline earth metal ions, through (31)P NMR measurements, in a non-interacting medium and over a wide pH range. The analysis of the titration curves by means of a model based on the cluster expansion method allows us to describe in detail the distribution of the different protonated microspecies of the ligand. With the aid of molecular modelling tools, we assess the energetic and geometrical characteristics of the protonation sequence and the conformational transition suffered by InsP6 as the pH changes. By completely characterizing the protonation pattern, conformation and geometry of the metal complexes, we unveil the chemical and structural basis behind the influence that the physiologically relevant cations, Na(+), K(+), Mg(2+) and Ca(2+) have over the phytate chemical reactivity. This information is essential in the process of gaining reliable structural knowledge about the most important InsP6 species in the in vitro and in vivo experiments, and how these features modulate their probable biological functions.

  14. Design of chemical plant

    International Nuclear Information System (INIS)

    This book describes design of chemical plant, which includes chemical engineer and plan for chemical plant, development of chemical process, cost engineering pattern, design and process development, general plant construction plan, project engineering, foundation for economy on assets and depreciation, estimation for cost on capital investment and manufacturing cost, design with computers optimal design and method like fluid mechanics design chemical device and estimation for cost, such as dispatch of material and device writing on design report and appendixes.

  15. Prediction of the vapor–liquid equilibria and speed of sound in binary systems of 1-alkanols and n-alkanes with the simplified PC-SAFT equation of state

    DEFF Research Database (Denmark)

    Liang, Xiaodong; Thomsen, Kaj; Yan, Wei;

    2013-01-01

    (or other derivative properties) with satisfactory accuracy over wide temperature, pressure and composition conditions. This work presents the prediction of the vapor–liquid equilibria and speed of sound in binary mixtures of 1-alkanols and n-alkanes using the simplified PC-SAFT equation of state...... for 1533 experimental data points in the temperature range from 273 to 493K, and 1.7% for the speed of sound for 2490 experimental data points at temperature between 293 and 318K and pressure up to 120MPa. The results reveal that it is possible to simultaneously model the vapor–liquid equilibria and speed...... with pure component parameters estimated in different ways. All results are straight predictions, i.e. no binary interaction parameters are used. With the parameters presented in this work, the predicted overall percent average absolute deviations are, respectively, around 6.1% for the saturation pressure...

  16. A Modification of α in SRK Equation of State and Vapor-Liquid Equilibria Prediction%SRK方程α的改进及其在汽-液相平衡预测中的应用

    Institute of Scientific and Technical Information of China (English)

    罗明检; 马沛生; 夏淑倩

    2007-01-01

    Based on results of saturated vapor pressures of pure substances calculated by SRK equation of state,the factor α in attractive pressure term was modified. Vapor-liquid equilibria of mixtures were calculated by original and modified SRK equation of state combined with MHV1 mixing rule and UNIFAC model, respectively. For 1447 saturated pressure points of 37 substance including alkanes; organics containing chlorine, fluorine, and oxygen; inorganic gases and water, the original SRK equation of state predicted pressure with an average deviation of 2.521% and modified one 1.673%. Binary vapor-liquid equilibria of alcohols containing mixtures and water containing mixtures also indicated that the SRK equation of state with the modified α had a better precision than that with the original one.

  17. LIQUID-LIQUID EQUILIBRIA FOR MIXTURES OF WATER,DECANE and 1-ETHOXY-2-PROPANOL%1-乙氧基-2-丙醇/水/癸烷的液液平衡

    Institute of Scientific and Technical Information of China (English)

    陈瑶; 李任强; 田村和弘

    2003-01-01

    Experimental data of ternary liquid-liquid equilibria for mixtures of 1-ethoxy-2-propanol, water and decane were measured at 298.15K.Extended UNIQUAC model was empolyed to correlate those data. The extended UNIQUAC model successfully represented the thermodynamic properties for the ternary system of 1-ethoxy-2-propanol, water and decane. These experimental results are useful for designing the separation and extraction process.

  18. Chemical gradients and progressive veining in a partly serpentinized harzburgite

    Science.gov (United States)

    Schwarzenbach, Esther; Caddick, Mark; Beard, James; Bodnar, Robert

    2016-04-01

    imply that local chemical equilibria exist within olivine-hosted veins and that chemical gradients control the mineral assemblages during hydration of ultramafic rock. Thus, these chemical gradients may have major implications on the petrophysical evolution of the oceanic lithosphere.

  19. Chemical Analyses of Ground Water in the Carson Desert near Stillwater, Churchill County, Nevada, 2005

    Science.gov (United States)

    Fosbury, DeEtta; Walker, Mark; Stillings, Lisa L.

    2008-01-01

    This report presents the chemical analyses of ground-water samples collected in 2005 from domestic wells located in the Stillwater area of the Carson Desert (fig. 1). These data were evaluated for evidence of mixing with nearby geothermal waters (Fosbury, 2007). That study used several methods to identify mixing zones of ground and geothermal waters using trace elements, chemical equilibria, water temperature, geothermometer estimates, and statistical techniques. In some regions, geothermal sources influence the chemical quality of ground water used for drinking water supplies. Typical geothermal contaminants include arsenic, mercury, antimony, selenium, thallium, boron, lithium, and fluoride (Webster and Nordstrom, 2003). The Environmental Protection Agency has established primary drinking water standards for these, with the exception of boron and lithium. Concentrations of some trace metals in geothermal water may exceed drinking water standards by several orders of magnitude. Geothermal influences on water quality are likely to be localized, depending on directions of ground water flow, the relative volumes of geothermal sources and ground water originating from other sources, and depth below the surface from which water is withdrawn. It is important to understand the areal extent of shallow mixing of geothermal water because it may have adverse chemical and aesthetic effects on domestic drinking water. It would be useful to understand the areal extent of these effects.

  20. Chemical behavior of long-lived radionuclides in the marine environment

    Energy Technology Data Exchange (ETDEWEB)

    Edgington, D.N.; Nelson, D.M.

    1983-01-01

    Measurements of long-lived radionuclides in the marine environment have provided a wealth of information regarding the physical, biological, and chemical processes which control the behavior of these and many other pollutants in the oceans. Their value as tracers for the dispersion, transport, and fate of pollutants in the oceans is largely dependent on the chemical properties of each individual radioelement. Differences in these properties, particularly in relation to their interaction with biotic or abiotic particulate matter, result in the separation of parent-daughter radioisotopes in the natural radioelement series or in changes in the ratios of fission and activation products. Such differences have provided the means to provide time scales for a variey of transport processes and to determine sedimentation rates. The properties of these radionuclides in the oceans can, in general, be predicted from the chemical properties of the stable elements. For those elements such as plutonium, for which there are no naturally-occurring stable isotopes, studies of their distribution in the oceans have provided a new important understanding of their chemical behavior. This behavior has not always agreed with what would have been predicted from laboratory studies carried out at far higher concentrations. Differences between observed distributions and laboratory predictions have highlighted the importance of correct experimental conditions in order to avoid confusing experimental artifacts. The interaction of radionuclides with particles in the oceans and marine sediments can be described in terms of simple ion exchange or adsorption equilibria.