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Sample records for allometry chemical equilibrium

  1. Bioaccumulation Potential Of Air Contaminants: Combining Biological Allometry, Chemical Equilibrium And Mass-Balances To Predict Accumulation Of Air Pollutants In Various Mammals

    Energy Technology Data Exchange (ETDEWEB)

    Veltman, Karin; McKone, Thomas E.; Huijbregts, Mark A.J.; Hendriks, A. Jan

    2009-03-01

    In the present study we develop and test a uniform model intended for single compartment analysis in the context of human and environmental risk assessment of airborne contaminants. The new aspects of the model are the integration of biological allometry with fugacity-based mass-balance theory to describe exchange of contaminants with air. The developed model is applicable to various mammalian species and a range of chemicals, while requiring few and typically well-known input parameters, such as the adult mass and composition of the species, and the octanol-water and air-water partition coefficient of the chemical. Accumulation of organic chemicals is typically considered to be a function of the chemical affinity forlipid components in tissues. Here, we use a generic description of chemical affinity for neutral and polar lipids and proteins to estimate blood-air partition coefficients (Kba) and tissue-air partition coefficients (Kta) for various mammals. This provides a more accurate prediction of blood-air partition coefficients, as proteins make up a large fraction of total blood components. The results show that 75percent of the modeled inhalation and exhalation rate constants are within a factor of 2 from independent empirical values for humans, rats and mice, and 87percent of the predicted blood-air partition coefficients are within a factor of 5 from empirical data. At steady-state, the bioaccumulation potential of air pollutants is shown to be mainly a function of the tissue-air partition coefficient and the biotransformation capacity of the species and depends weakly on the ventilation rate and the cardiac output of mammals.

  2. Chemical Principles Revisited: Chemical Equilibrium.

    Science.gov (United States)

    Mickey, Charles D.

    1980-01-01

    Describes: (1) Law of Mass Action; (2) equilibrium constant and ideal behavior; (3) general form of the equilibrium constant; (4) forward and reverse reactions; (5) factors influencing equilibrium; (6) Le Chatelier's principle; (7) effects of temperature, changing concentration, and pressure on equilibrium; and (8) catalysts and equilibrium. (JN)

  3. Has Chemical Education Reached Equilibrium?

    Science.gov (United States)

    Moore, John W.

    1997-06-01

    The other day I got to thinking about whether something akin to Le Chatelier's principle operates in chemical education. That is, whenever someone alters the conditions under which we interact with students, there is a shift in the system that attempts to minimize or counteract the change.

  4. Chemical equilibrium modeling of detonation

    Energy Technology Data Exchange (ETDEWEB)

    Fried, Laurence E. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Bastea, Sorin [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2010-05-19

    Energetic materials are unique for having a strong exothermic reactivity, which has made them desirable for both military and commercial applications. Energetic materials are commonly divided into high explosives, propellants, and pyrotechnics. We will focus on high explosive (HE) materials here, although there is a great deal of commonality between the classes of energetic materials. Furthermore the history of HE materials is long, their condensed-phase chemical properties are poorly understood.

  5. Equilibrium and Sudden Events in Chemical Evolution

    CERN Document Server

    Weinberg, David H; Freudenburg, Jenna

    2016-01-01

    We present new analytic solutions for one-zone (fully mixed) chemical evolution models and explore their implications. In contrast to existing analytic models, we incorporate a realistic delay time distribution for Type Ia supernovae (SNIa) and can therefore track the separate evolution of $\\alpha$-elements produced by core collapse supernovae (CCSNe) and iron peak elements synthesized in both CCSNe and SNIa. In generic cases, $\\alpha$ and iron abundances evolve to an equilibrium at which element production is balanced by metal consumption and gas dilution, instead of continuing to increase over time. The equilibrium absolute abundances depend principally on supernova yields and the outflow mass loading parameter $\\eta$, while the equilibrium abundance ratio [$\\alpha$/Fe] depends mainly on yields and secondarily on star formation history. A stellar population can be metal-poor either because it has not yet evolved to equilibrium or because high outflow efficiency makes the equilibrium abundance itself low. Sy...

  6. Use of simple body measurements and allometry to predict the chemical growth and feed intake in pigs

    Directory of Open Access Journals (Sweden)

    Andrea Piva

    2010-01-01

    Full Text Available The paper provides a practical procedure to estimate the chemical composition of pigs, their compositional growth and the expected feed intake from measurements of body weight (BW and backfat thickness (P2 serially performed in vivo. A farm data set provided information on 920 individuals including BW, measured at 71 ± 4 (t1, 126 ± 5 (t2 and 184 ± 5 (t3 days of age, of P2 at t2 and t3, and of voluntary daily feed intake (FI, recorded over the period from t2 to t3 by automated IVOG feeders. Body lipid mass was estimated as L= (9.17 + 0.70*P2 *BW/100 and the other chemical constituents were predicted from fat free empty body mass using Gompertz growth functions and allometry. Using individual changes of body composition from age t2 to t3, energy requirements for maintenance and growth and the corresponding predicted feed intakes (PFI were estimated. Measured FI were analysed for the effects of month, batch (within month, BWt2, P2t2, average metabolic weight, average daily gain and variation of P2 from t2 to t3. The same model was run again replacing the direct simple body measurements (BW and P2 with the estimated values of PFI as source of variation. Results. The Gompertz estimates of mature protein mass (Pm, relative growth rate parameter (B and lipid to protein ratio at maturity were 43.5 ± 5.8 kg, 0.0116 ± 0.0011 d-1 and 1.81 ± 0.30, respectively. The current protein mass averaged 18.5 + 1.6 kg and the daily retentions of protein and lipid were 177 ± 21 and 239 ± 62 g/d, respectively. FI and PFI averaged 2.824 ± 0.448 and 2.814 ± 0.393 kg/d, respectively. In the ANOVA of the FI data, the replacement of direct body measurements by PFI did not change the proportion of variance explained (83% and the RSD (0.199 g/d. The two sets of residual feed intake values obtained from the two ANOVA were highly correlated (RSD = 0.043 kg/d; R2= 0.961. Agreement between predicted and determined feed intakes provided a reasonable guarantee to the

  7. Exploring Chemical Equilibrium in Hot Jovians

    Science.gov (United States)

    Blumenthal, Sarah; Harrington, Joseph; Mandell, Avi; Hébrard, Eric; Venot, Olivia; Cubillos, Patricio; Blecic, Jasmina; Challener, Ryan

    2016-01-01

    It has been established that equilibrium chemistry is usually achieved deep in the atmosphere of hot Jovians where timescales are short (Line and Yung 2013). Thus, equilibrium chemistry has been used as a starting point (setting initial conditions) for evaluating disequilibrium processes. We explore parameters of setting these initial conditions including departures from solar metallicity, the number of species allowed in a system, the types of species allowed in a system, and different thermodynamic libraries in an attempt to create a standard for evaluating equilibrium chemistry. NASA's open source code Chemical Equilibrium and Applications (CEA) is used to calculate model planet abundances by varying the metallicity, in the pressure regime 0.1 to 1 bar. These results are compared to a variety of exoplanets(Teq between 600 and 2100K) qualitatively by color maps of the dayside with different temperature redistributions. Additionally, CEA (with an up-dated thermodynamic library) is compared with the thermochemical model presented in Venotet al. (2012) for HD 209458b and HD 189733b. This same analysis is then applied to the cooler planet HD 97658b. Spectra are generated and we compare both models' outputs using the open source codetransit (https://github.com/exosports/transit) using the opacities of 15 molecules. We make the updated CEA thermodyanamic library and supporting Python scripts to do the CEA analyses available open source. Thiswork was supported by NASA Planetary Atmospheres grant NNX12AI69G.

  8. 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.

  9. Equilibrium and Sudden Events in Chemical Evolution

    Science.gov (United States)

    Weinberg, David H.; Andrews, Brett H.; Freudenburg, Jenna

    2017-03-01

    We present new analytic solutions for one-zone (fully mixed) chemical evolution models that incorporate a realistic delay time distribution for Type Ia supernovae (SNe Ia) and can therefore track the separate evolution of α-elements produced by core collapse supernovae (CCSNe) and iron peak elements synthesized in both CCSNe and SNe Ia. Our solutions allow constant, exponential, or linear–exponential ({{te}}-t/{τ {sfh}}) star formation histories, or combinations thereof. In generic cases, α and iron abundances evolve to an equilibrium at which element production is balanced by metal consumption and gas dilution, instead of continuing to increase over time. The equilibrium absolute abundances depend principally on supernova yields and the outflow mass loading parameter η, while the equilibrium abundance ratio [α /{Fe}] depends mainly on yields and secondarily on star formation history. A stellar population can be metal-poor either because it has not yet evolved to equilibrium or because high outflow efficiency makes the equilibrium abundance itself low. Systems with ongoing gas accretion develop metallicity distribution functions (MDFs) that are sharply peaked, while “gas starved” systems with rapidly declining star formation, such as the conventional “closed box” model, have broadly peaked MDFs. A burst of star formation that consumes a significant fraction of a system’s available gas and retains its metals can temporarily boost [α /{Fe}] by 0.1–0.3 dex, a possible origin for rare, α-enhanced stars with intermediate age and/or high metallicity. Other sudden transitions in system properties can produce surprising behavior, including backward evolution of a stellar population from high to low metallicity.

  10. Chemical Equilibrium in Collisions of Small Systems

    CERN Document Server

    Kraus, I; Oeschler, H; Redlich, K; Wheaton, S

    2007-01-01

    The system-size dependence of particle production in heavy-ion collisions at the top SPS energy is analyzed in terms of the statistical model. A systematic comparison is made of two suppression mechanisms that quantify strange particle yields in ultra-relativistic heavy-ion collisions: the canonical model with strangeness correlation radius determined from the data and the model formulated in the canonical ensemble using chemical off-equilibrium strangeness suppression factor. The system-size dependence of the correlation radius and the thermal parameters are obtained for p-p, C-C, Si-Si and Pb-Pb collisions at sqrt(s_NN) = 17.3 AGeV. It is shown that on the basis of a consistent set of data there is no clear difference between the two suppression patterns. In the present study the strangeness correlation radius was found to exhibit a rather weak dependence on the system size.

  11. Implementing an Equilibrium Law Teaching Sequence for Secondary School Students to Learn Chemical Equilibrium

    Science.gov (United States)

    Ghirardi, Marco; Marchetti, Fabio; Pettinari, Claudio; Regis, Alberto; Roletto, Ezio

    2015-01-01

    A didactic sequence is proposed for the teaching of chemical equilibrium law. In this approach, we have avoided the kinetic derivation and the thermodynamic justification of the equilibrium constant. The equilibrium constant expression is established empirically by a trial-and-error approach. Additionally, students learn to use the criterion of…

  12. Using Analogies to Prevent Misconceptions about Chemical Equilibrium

    Science.gov (United States)

    Sahin Pekmez, Esin

    2010-01-01

    The main purpose of this study was to find the effectiveness of using analogies to prevent misconceptions about chemical equilibrium. Nineteen analogies, which were based on dynamic aspects of chemical equilibrium and application of Le Chatelier's principle, were developed. The participations of this study consisted of 11th grade students (n: 151)…

  13. Understanding Chemical Reaction Kinetics and Equilibrium with Interlocking Building Blocks

    Science.gov (United States)

    Cloonan, Carrie A.; Nichol, Carolyn A.; Hutchinson, John S.

    2011-01-01

    Chemical reaction kinetics and equilibrium are essential core concepts of chemistry but are challenging topics for many students, both at the high school and undergraduate university level. Visualization at the molecular level is valuable to aid understanding of reaction kinetics and equilibrium. This activity provides a discovery-based method to…

  14. Status of Chemical Equilibrium in Relativistic Heavy Ion Collisions

    CERN Document Server

    Cleymans, Jean

    2009-01-01

    Recent work on chemical equilibrium in heavy ion collisions is reviewed. The energy dependence of thermal parameters is discussed. The centrality dependence of thermal parameters at SPS energies is presented.

  15. Status of chemical equilibrium in relativistic heavy-ion collisions

    Indian Academy of Sciences (India)

    J Cleymans

    2003-04-01

    Recent work on chemical equilibrium in heavy-ion collisions is reviewed. The energy dependence of thermal parameters is discussed. The centrality dependence of thermal parameters at SPS energies is presented.

  16. Thermodynamics of chemical systems far from equilibrium

    Energy Technology Data Exchange (ETDEWEB)

    Ross, J. (Stanford Univ., CA (USA)); Garcia-Colin, L.S. (UAM-Iztapalapa, Postal (Mexico))

    1989-03-09

    A critique is presented of some recent work in this and other journals on the relation of thermodynamics to the mass action law of kinetics. For most chemical reactions, the thermodynamic variables change on the same time scale as the progress variable and there is no need for an extended thermodynamics.

  17. Investigation of Chemical Equilibrium Kinetics by the Electromigration Method

    CERN Document Server

    Bozhikov, G A; Bontchev, G D; Maslov, O D; Milanov, M V; Dmitriev, S N

    2002-01-01

    Measurement of the chemical reaction rates for complex formation as well as hydrolysis type reactions by the method of horizontal zone electrophoresis is outlined. The correlation between chemical equilibrium kinetics and electrodiffusion processes in a constant d.c. electric field is described. In model electromigration experiments the reaction rate constant of the complex formation of Hf(IV) and DTPA is determined.

  18. Modified NASA-Lewis Chemical Equilibrium Code for MHD applications

    Energy Technology Data Exchange (ETDEWEB)

    Sacks, R. A.; Geyer, H. K.; Grammel, S. J.; Doss, E. D.

    1979-12-01

    A substantially modified version of the NASA-Lewis Chemical Equilibrium Code has recently been developed. The modifications were designed to extend the power and convenience of the Code as a tool for performing combustor analysis for MHD systems studies. This report describes the effect of the programming details from a user point of view, but does not describe the Code in detail.

  19. Spectral Quasi-Equilibrium Manifold for Chemical Kinetics.

    Science.gov (United States)

    Kooshkbaghi, Mahdi; Frouzakis, Christos E; Boulouchos, Konstantinos; Karlin, Iliya V

    2016-05-26

    The Spectral Quasi-Equilibrium Manifold (SQEM) method is a model reduction technique for chemical kinetics based on entropy maximization under constraints built by the slowest eigenvectors at equilibrium. The method is revisited here and discussed and validated through the Michaelis-Menten kinetic scheme, and the quality of the reduction is related to the temporal evolution and the gap between eigenvalues. SQEM is then applied to detailed reaction mechanisms for the homogeneous combustion of hydrogen, syngas, and methane mixtures with air in adiabatic constant pressure reactors. The system states computed using SQEM are compared with those obtained by direct integration of the detailed mechanism, and good agreement between the reduced and the detailed descriptions is demonstrated. The SQEM reduced model of hydrogen/air combustion is also compared with another similar technique, the Rate-Controlled Constrained-Equilibrium (RCCE). For the same number of representative variables, SQEM is found to provide a more accurate description.

  20. Non-equilibrium effects in high temperature chemical reactions

    Science.gov (United States)

    Johnson, Richard E.

    1987-01-01

    Reaction rate data were collected for chemical reactions occurring at high temperatures during reentry of space vehicles. The principle of detailed balancing is used in modeling kinetics of chemical reactions at high temperatures. Although this principle does not hold for certain transient or incubation times in the initial phase of the reaction, it does seem to be valid for the rates of internal energy transitions that occur within molecules and atoms. That is, for every rate of transition within the internal energy states of atoms or molecules, there is an inverse rate that is related through an equilibrium expression involving the energy difference of the transition.

  1. Exploring Chemical Equilibrium with Poker Chips: A General Chemistry Laboratory Exercise

    Science.gov (United States)

    Bindel, Thomas H.

    2012-01-01

    A hands-on laboratory exercise at the general chemistry level introduces students to chemical equilibrium through a simulation that uses poker chips and rate equations. More specifically, the exercise allows students to explore reaction tables, dynamic chemical equilibrium, equilibrium constant expressions, and the equilibrium constant based on…

  2. Chemical equilibrium in high pressure molecular fluid mixtures

    Energy Technology Data Exchange (ETDEWEB)

    Shaw, M.S.

    1993-09-01

    The N{sub atoms}PT Monte Carlo simulation method has been reformulated to incorporate multiple species and chemical reactions with changes in total number of molecules. While maintaining a constant number of each type of atom, the number of molecules is changed by turning on and off the interactions of any particular position with other molecules. Chemical reactions are allowed as a correlated move of atoms to differnt molecular locations. Equilibrium chemical composition is determined as an average over the simulation along with equation of state quantities. A large set of simulations has been made with the system N{sub 2} + O{sub 2} {rightleftharpoons} NO covering a wide range in P and T. Both Hugoniot states and the CJ point have been determined and are shown to be sensitive to the potentials between unlike species.

  3. Students' and Teachers' Misapplication of Le Chatelier's Principle: Implications for the Teaching of Chemical Equilibrium.

    Science.gov (United States)

    Quilez-Pardo, Juan; Solaz-Portoles, Joan Josep

    1995-01-01

    Study of strategies and procedures of 170 students and 40 teachers when solving chemical equilibrium problems found misconceptions emerging through: misapplication of Le Chatelier's Principle, use of rote-learning recall, incorrect control of variables, limited use of chemical equilibrium law, lack of mastery of chemical equilibrium principles,…

  4. Diffusion approximations to the chemical master equation only have a consistent stochastic thermodynamics at chemical equilibrium

    Energy Technology Data Exchange (ETDEWEB)

    Horowitz, Jordan M., E-mail: jordan.horowitz@umb.edu [Department of Physics, University of Massachusetts at Boston, Boston, Massachusetts 02125 (United States)

    2015-07-28

    The stochastic thermodynamics of a dilute, well-stirred mixture of chemically reacting species is built on the stochastic trajectories of reaction events obtained from the chemical master equation. However, when the molecular populations are large, the discrete chemical master equation can be approximated with a continuous diffusion process, like the chemical Langevin equation or low noise approximation. In this paper, we investigate to what extent these diffusion approximations inherit the stochastic thermodynamics of the chemical master equation. We find that a stochastic-thermodynamic description is only valid at a detailed-balanced, equilibrium steady state. Away from equilibrium, where there is no consistent stochastic thermodynamics, we show that one can still use the diffusive solutions to approximate the underlying thermodynamics of the chemical master equation.

  5. Minimizing the Free Energy: A Computer Method for Teaching Chemical Equilibrium Concepts.

    Science.gov (United States)

    Heald, Emerson F.

    1978-01-01

    Presents a computer method for teaching chemical equilibrium concepts using material balance conditions and the minimization of the free energy. Method for the calculation of chemical equilibrium, the computer program used to solve equilibrium problems and applications of the method are also included. (HM)

  6. Clouds in Super-Earth Atmospheres: Chemical Equilibrium Calculations

    CERN Document Server

    Mbarek, Rostom

    2016-01-01

    Recent studies have unequivocally proven the existence of clouds in super-Earth atmospheres (Kreidberg et al. 2014). Here we provide a theoretical context for the formation of super-Earth clouds by determining which condensates are likely to form under the assumption of chemical equilibrium. We study super-Earth atmospheres of diverse bulk composition, which are assumed to form by outgassing from a solid core of chondritic material, following Schaefer & Fegley (2010). The super-Earth atmospheres that we study arise from planetary cores made up of individual types of chondritic meteorites. They range from highly reducing to oxidizing and have carbon to oxygen (C:O) ratios that are both subsolar and super-solar, thereby spanning a range of atmospheric composition that is appropriate for low-mass exoplanets. Given the atomic makeup of these atmospheres, we minimize the global Gibbs free energy of formation for over 550 gases and condensates to obtain the molecular composition of the atmospheres over a temper...

  7. CHEMICAL EQUILIBRIUM OF SOIL SOLUTION IN STEPPE ZONE SOIL

    Directory of Open Access Journals (Sweden)

    A. A. Batukaev

    2014-01-01

    Full Text Available Dynamics of material composition, migration and accumulation of salts is determined by chemical equilibrium in soil solution. Soil solution contains associated electrically neutral ion pairs CaCO30; CaSO40, MgCO30, MgSO40, charged ion pairs CaHCO3+, MgHCO3+, NaCO3-, NaSO4-, CaOH+, MgOH+. Calculation method is proposed for quantitative assessment of real ion forms in the soil solution of chestnut solonetz soil complex. Were proposed equations to calculate free and associated forms of ions. To solve the equations were used an iteration, a linear interpolation of equilibrium constants, a Method of Ionic Pairs including a law of initial concentration preservation, a law of the operating masses of equilibrium system, the concentration constants of ion pair dissociation on the law of operating masses. Was determined the quantity of ion free form and a coefficient of ion association as ratio of ions free form to analytical content ?e = Cass/Can. The association of ions varies in individual soils and soil layer. Increasing soil solution salinity amplifies the ions association. In form of ionic pairs in soil solution are: 11.8-53.8% of Ca2+; 9.4-57.3% of Mg2+; 0.7-11.9% of Na+; 2.2-22.3% of HCO3-, 11.8-62.7% of SO42-. The ion CO32- is high associated, the share of ions in associated form is up to 92.7%. The degree of soil solution saturation was obtained for three level of approximation accounting on analytical concentration, calculated association coefficient, calculated coefficient of association. Relating to thermodynamic solubility product S0, the mathematical product of analytical ionic pairs

  8. APOLLO: A computer program for the calculation of chemical equilibrium and reaction kinetics of chemical systems

    Energy Technology Data Exchange (ETDEWEB)

    Nguyen, H.D.

    1991-11-01

    Several of the technologies being evaluated for the treatment of waste material involve chemical reactions. Our example is the in situ vitrification (ISV) process where electrical energy is used to melt soil and waste into a ``glass like`` material that immobilizes and encapsulates any residual waste. During the ISV process, various chemical reactions may occur that produce significant amounts of products which must be contained and treated. The APOLLO program was developed to assist in predicting the composition of the gases that are formed. Although the development of this program was directed toward ISV applications, it should be applicable to other technologies where chemical reactions are of interest. This document presents the mathematical methodology of the APOLLO computer code. APOLLO is a computer code that calculates the products of both equilibrium and kinetic chemical reactions. The current version, written in FORTRAN, is readily adaptable to existing transport programs designed for the analysis of chemically reacting flow systems. Separate subroutines EQREACT and KIREACT for equilibrium ad kinetic chemistry respectively have been developed. A full detailed description of the numerical techniques used, which include both Lagrange multiplies and a third-order integrating scheme is presented. Sample test problems are presented and the results are in excellent agreement with those reported in the literature.

  9. APOLLO: A computer program for the calculation of chemical equilibrium and reaction kinetics of chemical systems

    Energy Technology Data Exchange (ETDEWEB)

    Nguyen, H.D.

    1991-11-01

    Several of the technologies being evaluated for the treatment of waste material involve chemical reactions. Our example is the in situ vitrification (ISV) process where electrical energy is used to melt soil and waste into a glass like'' material that immobilizes and encapsulates any residual waste. During the ISV process, various chemical reactions may occur that produce significant amounts of products which must be contained and treated. The APOLLO program was developed to assist in predicting the composition of the gases that are formed. Although the development of this program was directed toward ISV applications, it should be applicable to other technologies where chemical reactions are of interest. This document presents the mathematical methodology of the APOLLO computer code. APOLLO is a computer code that calculates the products of both equilibrium and kinetic chemical reactions. The current version, written in FORTRAN, is readily adaptable to existing transport programs designed for the analysis of chemically reacting flow systems. Separate subroutines EQREACT and KIREACT for equilibrium ad kinetic chemistry respectively have been developed. A full detailed description of the numerical techniques used, which include both Lagrange multiplies and a third-order integrating scheme is presented. Sample test problems are presented and the results are in excellent agreement with those reported in the literature.

  10. The Adverse Effects of Le Chatelier's Principle on Teacher Understanding of Chemical Equilibrium

    Science.gov (United States)

    Cheung, Derek

    2009-01-01

    Although the scientific inadequacy of Le Chatelier's principle has long been documented in the literature, the principle is still treated as a central concept of chemical equilibrium by textbook writers and teachers in many countries. In the past, researchers' interest has focused on student misconceptions about chemical equilibrium and has…

  11. Clouds in Super-Earth Atmospheres: Chemical Equilibrium Calculations

    Science.gov (United States)

    Mbarek, Rostom; Kempton, Eliza M.-R.

    2016-08-01

    Recent studies have unequivocally proven the existence of clouds in super-Earth atmospheres. Here we provide a theoretical context for the formation of super-Earth clouds by determining which condensates are likely to form under the assumption of chemical equilibrium. We study super-Earth atmospheres of diverse bulk composition, which are assumed to form by outgassing from a solid core of chondritic material, following Schaefer & Fegley. The super-Earth atmospheres that we study arise from planetary cores made up of individual types of chondritic meteorites. They range from highly reducing to oxidizing and have carbon to oxygen (C:O) ratios that are both sub-solar and super-solar, thereby spanning a range of atmospheric composition that is appropriate for low-mass exoplanets. Given the atomic makeup of these atmospheres, we minimize the global Gibbs free energy of formation for over 550 gases and condensates to obtain the molecular composition of the atmospheres over a temperature range of 350-3000 K. Clouds should form along the temperature-pressure boundaries where the condensed species appear in our calculation. We find that the composition of condensate clouds depends strongly on both the H:O and C:O ratios. For the super-Earth archetype GJ 1214b, KCl and ZnS are the primary cloud-forming condensates at solar composition, in agreement with previous work. However, for oxidizing atmospheres, K2SO4 and ZnO condensates are favored instead, and for carbon-rich atmospheres with super-solar C:O ratios, graphite clouds appear. For even hotter planets, clouds form from a wide variety of rock-forming and metallic species.

  12. Effect of a Perturbation on the Chemical Equilibrium: Comparison with Le Chatelier's Principle

    Science.gov (United States)

    Torres, Emilio Martinez

    2007-01-01

    This article develops a general thermodynamic treatment to predict the direction of shift in a chemical equilibrium when it is subjected to a stress. This treatment gives an inequality that relates the change in the perturbed variable and the change that the equilibrium shift produces in the conjugated variable. To illustrate the generality of…

  13. Determination of solute organic concentration in contaminated soils using a chemical-equilibrium soil column system

    DEFF Research Database (Denmark)

    Gamst, Jesper; Kjeldsen, Peter; Christensen, Thomas Højlund

    2007-01-01

    Groundwater risk assessment of contaminated soils implies determination of the solute concentration leaching out of the soil. Determination based on estimation techniques or simple experimental batch approach has proven inadequate. Two chemical equilibrium soil column leaching tests...... for determination of solute concentration in a contaminated soil were developed; (1) a chemical Equilibrium and Recirculation column test for Volatile organic chemicals (ER-V) and (2) a chemical Equilibrium and Recirculation column test for Hydrophobic organic chemicals (ER-H). The two test systems were evaluated...... to measure solute phase concentration of PAHs in contaminated soils. Overall a reliable and reproducable system for determining solute concentration of a wide range of organic compounds in contaminated soils has been developed....

  14. The chemical potential of magnons in quasi-equilibrium

    Energy Technology Data Exchange (ETDEWEB)

    Bennett, L.H. [George Washington University, Washington, DC 20052 (United States)], E-mail: lbennett@gwu.edu; Della Torre, E. [George Washington University, Washington, DC 20052 (United States)

    2008-02-01

    There have been many questions raised as to the existence of a non-zero chemical potential in a system of quasiparticles, such as magnons, which can be created and destroyed in an open system. In this paper, we spell out the reasons that there is, in fact, a non-zero chemical potential for magnons, and that it can be determined from magnetic aftereffect experiments.

  15. Displacement of estimates of chemical equilibrium constants at breaking of determinancy of independent variables of equilibrium system regression models

    Energy Technology Data Exchange (ETDEWEB)

    Nikolaeva, L.S.; Prikhod' ko, N.V.; Evseev, A.M.; Rozen, A.M.; Kolychev, A.E.; Gontar, B.G. (Moskovskij Gosudarstvennyj Univ. (USSR). Khimicheskij Fakul' tet)

    1982-07-01

    Using as an example regression models of extraction systems HNO/sub 3/-TBP-H/sub 2/O, UO/sub 2/(NO/sub 3/)/sub 2/-TBP-H/sub 2/O it has been shown that disregard of errors of the controlled (independent) variables 3% measurement error of UO/sub 2/(NO/sub 3/)/sub 2/ equilibrium concentration and 3% error of the determination of HNO/sub 3/ activity coefficient results in the displacement of evaluations of certain equilibria constants and leads to incorrect conclusion on the mechanism of chemical equilibria.

  16. A Unified Graphical Representation of Chemical Thermodynamics and Equilibrium

    Science.gov (United States)

    Hanson, Robert M.

    2012-01-01

    During the years 1873-1879, J. Willard Gibbs published his now-famous set of articles that form the basis of the current perspective on chemical thermodynamics. The second article of this series, "A Method of Geometrical Representation of the Thermodynamic Properties of Substances by Means of Surfaces," published in 1873, is particularly notable…

  17. Computing multi-species chemical equilibrium with an algorithm based on the reaction extents

    DEFF Research Database (Denmark)

    Paz-Garcia, Juan Manuel; Johannesson, Björn; Ottosen, Lisbeth M.;

    2013-01-01

    A mathematical model for the solution of a set of chemical equilibrium equations in a multi-species and multiphase chemical system is described. The computer-aid solution of model is achieved by means of a Newton-Raphson method enhanced with a line-search scheme, which deals with the non-negative...

  18. Direct Monte Carlo simulation of the chemical equilibrium composition of detonation products

    Energy Technology Data Exchange (ETDEWEB)

    Shaw, M.S.

    1993-06-01

    A new Monte Carlo simulation method has been developed by the author which gives the equilibrium chemical composition of a molecular fluid directly. The usual NPT ensemble (isothermal-isobaric) is implemented with N being the number of atoms instead of molecules. Changes in chemical composition are treated as correlated spatial moves of atoms. Given the interaction potentials between molecular products, ``exact`` EOS points including the equilibrium chemical composition can be determined from the simulations. This method is applied to detonation products at conditions in the region near the Chapman- Jouget state. For the example of NO, it is shown that the CJ detonation velocity can be determined to a few meters per second. A rather small change in cross potentials is shown to shift the chemical equilibrium and the CJ conditions significantly.

  19. The allometry of prey preferences.

    Directory of Open Access Journals (Sweden)

    Gregor Kalinkat

    Full Text Available The distribution of weak and strong non-linear feeding interactions (i.e., functional responses across the links of complex food webs is critically important for their stability. While empirical advances have unravelled constraints on single-prey functional responses, their validity in the context of complex food webs where most predators have multiple prey remain uncertain. In this study, we present conceptual evidence for the invalidity of strictly density-dependent consumption as the null model in multi-prey experiments. Instead, we employ two-prey functional responses parameterised with allometric scaling relationships of the functional response parameters that were derived from a previous single-prey functional response study as novel null models. Our experiments included predators of different sizes from two taxonomical groups (wolf spiders and ground beetles simultaneously preying on one small and one large prey species. We define compliance with the null model predictions (based on two independent single-prey functional responses as passive preferences or passive switching, and deviations from the null model as active preferences or active switching. Our results indicate active and passive preferences for the larger prey by predators that are at least twice the size of the larger prey. Moreover, our approach revealed that active preferences increased significantly with the predator-prey body-mass ratio. Together with prior allometric scaling relationships of functional response parameters, this preference allometry may allow estimating the distribution of functional response parameters across the myriads of interactions in natural ecosystems.

  20. Surface-dependent chemical equilibrium constants and capacitances for bare and 3-cyanopropyldimethylchlorosilane coated silica nanochannels

    DEFF Research Database (Denmark)

    Andersen, Mathias Bækbo; Frey, Jared; Pennathur, Sumita

    2011-01-01

    , and pK+ are constant and independent of surface composition. Our theoretical model consists of three parts: (i) a chemical equilibrium model of the bare or coated wall, (ii) a chemical equilibrium model of the buffered bulk electrolyte, and (iii) a self-consistent Gouy–Chapman–Stern triple-layer model......We present a combined theoretical and experimental analysis of the solid–liquid interface of fused-silica nanofabricated channels with and without a hydrophilic 3-cyanopropyldimethylchlorosilane (cyanosilane) coating. We develop a model that relaxes the assumption that the surface parameters C1, C2...

  1. 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.

  2. 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\

  3. Reversible Diffusion-Limited Reactions: "Chemical Equilibrium" State and the Law of Mass Action Revisited

    OpenAIRE

    Voituriez, R.; Moreau, M.; Oshanin, G.

    2004-01-01

    The validity of two fundamental concepts of classical chemical kinetics - the notion of "Chemical Equilibrium" and the "Law of Mass Action" - are re-examined for reversible \\textit{diffusion-limited} reactions (DLR), as exemplified here by association/dissociation $A+A \\rightleftharpoons B$ reactions. We consider a general model of long-ranged reactions, such that any pair of $A$ particles, separated by distance $\\mu$, may react with probability $\\omega_+(\\mu)$, and any $B$ may dissociate wit...

  4. A Teaching Sequence for Learning the Concept of Chemical Equilibrium in Secondary School Education

    Science.gov (United States)

    Ghirardi, Marco; Marchetti, Fabio; Pettinari, Claudio; Regis, Alberto; Roletto, Ezio

    2014-01-01

    A novel didactic sequence is proposed for the teaching of chemical equilibrium. This teaching sequence takes into account the historical and epistemological evolution of the concept, the alternative conceptions and learning difficulties highlighted by teaching science and research in education, and the need to focus on both the students'…

  5. Exploring the Impact of Argumentation on Pre-Service Science Teachers' Conceptual Understanding of Chemical Equilibrium

    Science.gov (United States)

    Aydeniz, Mehmet; Dogan, Alev

    2016-01-01

    This study examines the impact of argumentation on pre-service science teachers' (PST) conceptual understanding of chemical equilibrium. The sample consisted of 57 first-year PSTs enrolled in a teacher education program in Turkey. Thirty two of the 57 PSTs who participated in this study were in the experimental group and 25 in the control group.…

  6. Control of Chemical Equilibrium by Solvent: A Basis for Teaching Physical Chemistry of Solutions

    Science.gov (United States)

    Prezhdo, Oleg V.; Craig, Colleen F.; Fialkov, Yuriy; Prezhdo, Victor V.

    2007-01-01

    The study demonstrates that the solvent present in a system can highly alter and control the chemical equilibrium of a system. The results show that the dipole moment and polarizibility of a system can be highly altered by using different mixed solvents.

  7. Computer program for calculation of complex chemical equilibrium compositions and applications. Part 1: Analysis

    Science.gov (United States)

    Gordon, Sanford; Mcbride, Bonnie J.

    1994-01-01

    This report presents the latest in a number of versions of chemical equilibrium and applications programs developed at the NASA Lewis Research Center over more than 40 years. These programs have changed over the years to include additional features and improved calculation techniques and to take advantage of constantly improving computer capabilities. The minimization-of-free-energy approach to chemical equilibrium calculations has been used in all versions of the program since 1967. The two principal purposes of this report are presented in two parts. The first purpose, which is accomplished here in part 1, is to present in detail a number of topics of general interest in complex equilibrium calculations. These topics include mathematical analyses and techniques for obtaining chemical equilibrium; formulas for obtaining thermodynamic and transport mixture properties and thermodynamic derivatives; criteria for inclusion of condensed phases; calculations at a triple point; inclusion of ionized species; and various applications, such as constant-pressure or constant-volume combustion, rocket performance based on either a finite- or infinite-chamber-area model, shock wave calculations, and Chapman-Jouguet detonations. The second purpose of this report, to facilitate the use of the computer code, is accomplished in part 2, entitled 'Users Manual and Program Description'. Various aspects of the computer code are discussed, and a number of examples are given to illustrate its versatility.

  8. Three model space experiments on chemical reactions. [Gibbs adsorption, equilibrium shift and electrodeposition

    Science.gov (United States)

    Grodzka, P.; Facemire, B.

    1977-01-01

    Three investigations conducted aboard Skylab IV and Apollo-Soyuz involved phenomena that are of interest to the biochemistry community. The formaldehyde clock reaction and the equilibrium shift reaction experiments conducted aboard Apollo Soyuz demonstrate the effect of low-g foams or air/liquid dispersions on reaction rate and chemical equilibrium. The electrodeposition reaction experiment conducted aboard Skylab IV demonstrate the effect of a low-g environment on an electrochemical displacement reaction. The implications of the three space experiments for various applications are considered.

  9. Viscous-shock-layer solutions for turbulent flow of radiating gas mixtures in chemical equilibrium

    Science.gov (United States)

    Anderson, E. C.; Moss, J. N.

    1975-01-01

    The viscous-shock-layer equations for hypersonic laminar and turbulent flows of radiating or nonradiating gas mixtures in chemical equilibrium are presented for two-dimensional and axially-symmetric flow fields. Solutions were obtained using an implicit finite-difference scheme and results are presented for hypersonic flow over spherically-blunted cone configurations at freestream conditions representative of entry into the atmosphere of Venus. These data are compared with solutions obtained using other methods of analysis.

  10. Viscous shock layer solutions for turbulent flow of radiating gas mixtures in chemical equilibrium

    Science.gov (United States)

    Anderson, E. C.; Moss, J. N.

    1975-01-01

    The viscous shock layer equations for hypersonic laminar and turbulent flows of radiating or nonradiating gas mixtures in chemical equilibrium are presented for two-dimensional and axially symmetric flow fields. Solutions are obtained using an implicit finite difference scheme and results are presented for hypersonic flow over spherically blunted cone configurations at free stream conditions representative of entry into the atmosphere of Venus. These data are compared with solutions obtained using other methods of analysis.

  11. Pulse-density modulation control of chemical oscillation far from equilibrium in a droplet open-reactor system.

    Science.gov (United States)

    Sugiura, Haruka; Ito, Manami; Okuaki, Tomoya; Mori, Yoshihito; Kitahata, Hiroyuki; Takinoue, Masahiro

    2016-01-20

    The design, construction and control of artificial self-organized systems modelled on dynamical behaviours of living systems are important issues in biologically inspired engineering. Such systems are usually based on complex reaction dynamics far from equilibrium; therefore, the control of non-equilibrium conditions is required. Here we report a droplet open-reactor system, based on droplet fusion and fission, that achieves dynamical control over chemical fluxes into/out of the reactor for chemical reactions far from equilibrium. We mathematically reveal that the control mechanism is formulated as pulse-density modulation control of the fusion-fission timing. We produce the droplet open-reactor system using microfluidic technologies and then perform external control and autonomous feedback control over autocatalytic chemical oscillation reactions far from equilibrium. We believe that this system will be valuable for the dynamical control over self-organized phenomena far from equilibrium in chemical and biomedical studies.

  12. Growth and Allometry in Modern Morphometrics: Review

    Directory of Open Access Journals (Sweden)

    Deniz SIĞIRLI

    2013-01-01

    Full Text Available In traditional shape analysis, linear distance, angles and ratios of measurements are used in multivariate statistical analyses. The challenge in any analysis of growth is to extend quantitative description and to explore aspects of the biology of a given organism, such as the genetic basis of morphogenesis, the phylogenetic underpinnings of developmental patterns, or the role of hormones, teratogens, dietary elements, and other environmental variables on the growth process. It is important to define the growth process with mathematical equations that include biologically meaningful parameters. Size has several different meanings such as length, area, volume, and even the linear combinations of different measured quantities. However, in statistical shape analysis, size is obtained by a specific approach, which provides the geometrical information of an object. Allometry theory was developed as a result of shape variations that occur with the growth of an organism’s different parts or organs at different rates. As the idea of size and shape has been one of the most controversial subjects in traditional morphometrics, allometry (relationship between size and shape plays an important role in the development of statistical shape analysis. The quantities used in traditional morphometrics for size are highly correlated with shape. Thus, many different methods have been proposed for size correction. However, because of disagreement regarding relevant methods of size correction, researchers have investigated different methods for the analysis of shape data. Today, new geometrical morphometric approaches are being used extensively to explore and model growth and allometry.

  13. Equilibrium chemical vapor deposition growth of Bernal-stacked bilayer graphene.

    Science.gov (United States)

    Zhao, Pei; Kim, Sungjin; Chen, Xiao; Einarsson, Erik; Wang, Miao; Song, Yenan; Wang, Hongtao; Chiashi, Shohei; Xiang, Rong; Maruyama, Shigeo

    2014-11-25

    Using ethanol as the carbon source, self-limiting growth of AB-stacked bilayer graphene (BLG) has been achieved on Cu via an equilibrium chemical vapor deposition (CVD) process. We found that during this alcohol catalytic CVD (ACCVD) a source-gas pressure range exists to break the self-limitation of monolayer graphene on Cu, and at a certain equilibrium state it prefers to form uniform BLG with a high surface coverage of ∼94% and AB-stacking ratio of nearly 100%. More importantly, once the BLG is completed, this growth shows a self-limiting manner, and an extended ethanol flow time does not result in additional layers. We investigate the mechanism of this equilibrium BLG growth using isotopically labeled (13)C-ethanol and selective surface aryl functionalization, and results reveal that during the equilibrium ACCVD process a continuous substitution of graphene flakes occurs to the as-formed graphene and the BLG growth follows a layer-by-layer epitaxy mechanism. These phenomena are significantly in contrast to those observed for previously reported BLG growth using methane as precursor.

  14. Understanding Chemical Equilibrium Using Entropy Analysis: The Relationship between [delta]S[subscript tot](sys[superscript o]) and the Equilibrium Constant

    Science.gov (United States)

    Bindel, Thomas H.

    2010-01-01

    Entropy analyses as a function of the extent of reaction are presented for a number of physicochemical processes, including vaporization of a liquid, dimerization of nitrogen dioxide, and the autoionization of water. Graphs of the total entropy change versus the extent of reaction give a visual representation of chemical equilibrium and the second…

  15. Gas-Kinetic Navier-Stokes Solver for Hypersonic Flows in Thermal and Chemical Non-Equilibrium Project

    Data.gov (United States)

    National Aeronautics and Space Administration — This SBIR project proposes to develop a gas-kinetic Navier-Stokes solver for simulation of hypersonic flows in thermal and chemical non-equilibrium. The...

  16. How liana loads alter tree allometry in tropical forests

    NARCIS (Netherlands)

    Souza Dias, de Arildo; Santos, Dos Karin; Santos, Dos Flavio Antonio Maës; Martins, Fernando R.

    2017-01-01

    Intense competition with lianas (wood climbers) can limit tree growth, reproduction, and survival. However, the negative effects of liana loads on tree allometry have not yet been addressed. We investigated the hypothesis that liana loading on tree crown alters tree’s allometry, expressed through sl

  17. A Review of Equation of State Models, Chemical Equilibrium Calculations and CERV Code Requirements for SHS Detonation Modelling

    Science.gov (United States)

    2009-10-01

    Beattie - Bridgeman Virial expansion The above equations are suitable for moderate pressures and are usually based on either empirical constants...CR 2010-013 October 2009 A Review of Equation of State Models, Chemical Equilibrium Calculations and CERV Code Requirements for SHS Detonation...Defence R&D Canada. A Review of Equation of State Models, Chemical Equilibrium Calculations and CERV Code Requirements for SHS Detonation

  18. Significance of vapor phase chemical reactions on CVD rates predicted by chemically frozen and local thermochemical equilibrium boundary layer theories

    Science.gov (United States)

    Gokoglu, Suleyman A.

    1988-01-01

    This paper investigates the role played by vapor-phase chemical reactions on CVD rates by comparing the results of two extreme theories developed to predict CVD mass transport rates in the absence of interfacial kinetic barrier: one based on chemically frozen boundary layer and the other based on local thermochemical equilibrium. Both theories consider laminar convective-diffusion boundary layers at high Reynolds numbers and include thermal (Soret) diffusion and variable property effects. As an example, Na2SO4 deposition was studied. It was found that gas phase reactions have no important role on Na2SO4 deposition rates and on the predictions of the theories. The implications of the predictions of the two theories to other CVD systems are discussed.

  19. EVALUATION OF BIOMASS AND COAL CO-GASIFICATION OF BRAZILIAN FEEDSTOCK USING A CHEMICAL EQUILIBRIUM MODEL

    Directory of Open Access Journals (Sweden)

    R. Rodrigues

    Full Text Available Abstract Coal and biomass are energy sources with great potential for use in Brazil. Coal-biomass co-gasification enables the combination of the positive characteristics of each fuel, besides leading to a cleaner use of coal. The present study evaluates the potential of co-gasification of binary coal-biomass blends using sources widely available in Brazil. This analysis employs computational simulations using a reliable thermodynamic equilibrium model. Favorable operational conditions at high temperatures are determined in order to obtain gaseous products suitable for energy cogeneration and chemical synthesis. This study shows that blends with biomass ratios of 5% and equivalence ratios ≤ 0.3 lead to high cold gas efficiencies. Suitable gaseous products for chemical synthesis were identified at biomass ratios ≤ 35% and moisture contents ≥ 40%. Formation of undesirable nitrogen and sulfur compounds was also analyzed.

  20. Chemicals loading in acetylated bamboo assisted by supercritical CO2 based on phase equilibrium data

    Science.gov (United States)

    Silviana, Petermann, M.

    2015-12-01

    Indonesia has a large tropical forest. However, the deforestation still appears annually and vastly. This reason drives a use of bamboo as wood alternative. Recently, there are many modifications of bamboo in order to prolong the shelf life. Unfortunately, the processes need more chemicals and time. Based on wood modification, esterifying of bamboo was undertaken in present of a dense gas, i.e. supercritical CO2. Calculation of chemicals loading referred to ASTM D1413-99 by using the phase equilibrium data at optimum condition by a statistical design. The results showed that the acetylation of bamboo assisted by supercritical CO2 required 14.73 kg acetic anhydride/m3 of bamboo for a treatment of one hour.

  1. General multi-group macroscopic modeling for thermo-chemical non-equilibrium gas mixtures

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Yen, E-mail: yen.liu@nasa.gov; Vinokur, Marcel [NASA Ames Research Center, Moffett Field, California 94035 (United States); Panesi, Marco; Sahai, Amal [University of Illinois, Urbana-Champaign, Illinois 61801 (United States)

    2015-04-07

    This paper opens a new door to macroscopic modeling for thermal and chemical non-equilibrium. In a game-changing approach, we discard conventional theories and practices stemming from the separation of internal energy modes and the Landau-Teller relaxation equation. Instead, we solve the fundamental microscopic equations in their moment forms but seek only optimum representations for the microscopic state distribution function that provides converged and time accurate solutions for certain macroscopic quantities at all times. The modeling makes no ad hoc assumptions or simplifications at the microscopic level and includes all possible collisional and radiative processes; it therefore retains all non-equilibrium fluid physics. We formulate the thermal and chemical non-equilibrium macroscopic equations and rate coefficients in a coupled and unified fashion for gases undergoing completely general transitions. All collisional partners can have internal structures and can change their internal energy states after transitions. The model is based on the reconstruction of the state distribution function. The internal energy space is subdivided into multiple groups in order to better describe non-equilibrium state distributions. The logarithm of the distribution function in each group is expressed as a power series in internal energy based on the maximum entropy principle. The method of weighted residuals is applied to the microscopic equations to obtain macroscopic moment equations and rate coefficients succinctly to any order. The model’s accuracy depends only on the assumed expression of the state distribution function and the number of groups used and can be self-checked for accuracy and convergence. We show that the macroscopic internal energy transfer, similar to mass and momentum transfers, occurs through nonlinear collisional processes and is not a simple relaxation process described by, e.g., the Landau-Teller equation. Unlike the classical vibrational energy

  2. General multi-group macroscopic modeling for thermo-chemical non-equilibrium gas mixtures

    Science.gov (United States)

    Liu, Yen; Panesi, Marco; Sahai, Amal; Vinokur, Marcel

    2015-04-01

    This paper opens a new door to macroscopic modeling for thermal and chemical non-equilibrium. In a game-changing approach, we discard conventional theories and practices stemming from the separation of internal energy modes and the Landau-Teller relaxation equation. Instead, we solve the fundamental microscopic equations in their moment forms but seek only optimum representations for the microscopic state distribution function that provides converged and time accurate solutions for certain macroscopic quantities at all times. The modeling makes no ad hoc assumptions or simplifications at the microscopic level and includes all possible collisional and radiative processes; it therefore retains all non-equilibrium fluid physics. We formulate the thermal and chemical non-equilibrium macroscopic equations and rate coefficients in a coupled and unified fashion for gases undergoing completely general transitions. All collisional partners can have internal structures and can change their internal energy states after transitions. The model is based on the reconstruction of the state distribution function. The internal energy space is subdivided into multiple groups in order to better describe non-equilibrium state distributions. The logarithm of the distribution function in each group is expressed as a power series in internal energy based on the maximum entropy principle. The method of weighted residuals is applied to the microscopic equations to obtain macroscopic moment equations and rate coefficients succinctly to any order. The model's accuracy depends only on the assumed expression of the state distribution function and the number of groups used and can be self-checked for accuracy and convergence. We show that the macroscopic internal energy transfer, similar to mass and momentum transfers, occurs through nonlinear collisional processes and is not a simple relaxation process described by, e.g., the Landau-Teller equation. Unlike the classical vibrational energy

  3. An analysis of strategies used by chemistry instructors to address student alternate conceptions in chemical equilibrium

    Science.gov (United States)

    Piquette, Jeff Stephen

    This study explored general-chemistry instructors' awareness of and ability to identify common student alternate conceptions in chemical equilibrium. Instructor strategies directed at remediation of student alternate conceptions were also investigated and compared to successful, literature-based conceptual change methods. Fifty-two general chemistry instructor volunteers from 50 U.S. colleges and universities completed an interactive web-based survey that gathered their responses to open-ended questions, a rating scale, classroom scenarios, and a demographic form. The three scenarios asked respondents to evaluate hypothetical student exam answers, justify their evaluations, and report how they would assist students to better understand ideas about which they held alternate conceptions. Survey respondents who provided responses or remediation strategies that needed further clarification were sampled (n = 6); each amplified their views in an individual, researcher-led semi-structured phone interview. All survey responses and interview transcriptions were independently analyzed by three raters who followed Patton's (1990) guidelines for qualitative data analysis. Data analysis established that all 52 instructors of chemistry were able to report and identify common student alternate conceptions in chemical equilibrium. Those instructor-reported alternate conceptions were congruent with previously identified alternate conceptions (misconceptions) found in published literature, thus providing validation support for the earlier compilations. This study revealed that chemistry instructors employ a variety of strategies in efforts to address and remediate alternate conceptions. However, those strategies rarely include all four conditions outlined by Posner, Strike, Hewson, and Gertzog (1982) needed to stimulate conceptual change in students. Instructors are thus encouraged to become familiar with successful conceptual change strategies, using such methods as appropriate in

  4. A non-equilibrium picture of the chemical freeze-out in hadronic thermal models

    CERN Document Server

    De Assis, Leonardo P G; Chiapparini, Marcelo; Hirsch, Luciana R; Delfino, Antonio

    2012-01-01

    Thermal models have proven to be an useful and simple tool used to make theoretical predictions and data analysis in relativistic and ultra-relativistic heavy ion collisions. A new version of these models is presented here, incorporating a non equilibrium feature to the description of the intermediate fireball state formed at the chemical freeze-out. Two different effective temperatures are attributed to the expanding fireball, regarding its baryonic and mesonic sectors. The proposal is not merely to include an additional degree of freedom to reach a better adjustment to the data, but to open a room in the model conception for considerations on the non-equilibrium scenario of the system evolution. A set of well consolidated data for particles production is used to validated the reformulated version of thermal models presented here. A rather good performance of the extended version was verified, both for the quality of particle ratio data fittings as well as for describing the asymptotic energy behavior of tem...

  5. Adsorption laboratory experiment for undergraduate chemical engineering: Introducing kinetic, equilibrium and thermodynamic concepts

    Science.gov (United States)

    Muryanto, S.; Djatmiko Hadi, S.

    2016-11-01

    Adsorption laboratory experiment for undergraduate chemical engineering program is discussed. The experiment demonstrated adsorption of copper ions commonly found in wastewater using bio-sorbent, i.e. agricultural wastes. The adsorption was performed in a batch mode under various parameters: adsorption time (up to 120 min), initial pH (2 to 6), adsorbent dose (2.0 to 12.0 g L-1), adsorbent size (50 to 170 mesh), initial Cu2+ concentration (25 to 100 ppm) and temperatures (room temp to 40°C). The equilibrium and kinetic data of the experiments were calculated using the two commonly used isotherms: Langmuir and Lagergren pseudo-first-order kinetics. The maximum adsorption capacity for Cu2+ was found as 94.34 mg g-1. Thermodynamically, the adsorption process was spontaneous and endothermic. The calculated activation energy for the adsorption was observed as high as 127.94 kJ mol-1. Pedagogically, the experiment was assumed to be important in increasing student understanding of kinetic, equilibrium and thermodynamic concepts.

  6. GMIN: A computerized chemical equilibrium model using a constrained minimization of the Gibbs free energy

    Energy Technology Data Exchange (ETDEWEB)

    Felmy, A.R.

    1990-04-01

    This document is a user's manual and technical reference for the computerized chemical equilibrium model GMIN. GMIN calculates the chemical composition of systems composed of pure solid phases, solid-solution phases, gas phases, adsorbed phases, and the aqueous phase. In the aqueous phase model, the excess solution free energy is modeled by using the equations developed by PITZER and his coworkers, which are valid to high ionic strengths. The Davies equation can also be used. Activity coefficients for nonideal soild-solution phases are calculated using parameters of polynomial expansion in mole fraction of the excess free energy of mixing. The free energy of adsorbed phase species is described by the triple-layer site-binding model. The mathematical algorithm incorporated into GMIN is based upon a constrained minimization of the Gibbs free energy. This algorithm is numerically stable and reliably converges to a free energy minimum. The data base for GMIN contains all standard chemical potentials and Pitzer ion-interaction parameters necessary to model the system Na-K-Ca-Mg-H-Cl-SO{sub 4}-CO{sub 2}-B(OH){sub 4}-H{sub 2}0 at 25{degrees}C.

  7. Master equation for a chemical wave front with perturbation of local equilibrium

    Science.gov (United States)

    Dziekan, P.; Lemarchand, A.; Nowakowski, B.

    2011-08-01

    In order to develop a stochastic description of gaseous reaction-diffusion systems, which includes a reaction-induced departure from local equilibrium, we derive a modified expression of the master equation from analytical calculations based on the Boltzmann equation. We apply the method to a chemical wave front of Fisher-Kolmogorov-Petrovsky-Piskunov type, whose propagation speed is known to be sensitive to small perturbations. The results of the modified master equation are compared successfully with microscopic simulations of the particle dynamics using the direct simulation Monte Carlo method. The modified master equation constitutes an efficient tool at the mesoscopic scale, which incorporates the nonequilibrium effect without need of determining the particle velocity distribution function.

  8. Review and analysis of high temperature chemical reactions and the effect of non-equilibrium conditions

    Science.gov (United States)

    Johnson, R. E.

    1986-01-01

    Chemical reactions at high temperatures have been considered extensively because of their importance to the heating effects on re-entry of space vehicles. Data on these reactions however, are not abundant and even when found there are discrepancies in data collected by various investigators. In particular, data for recombination reactions are calculated from the dissociation reactions or vice versa through the equilibrium constant. This involves the use of the principle of detailed balancing. This principle is discussed in reference to conditions where it is valid as well as to those where it is not valid. Related topics that merit further study or for which applicable information was available are briefly mentioned in an appendix to this report.

  9. The invariant constrained equilibrium edge preimage curve method for the dimension reduction of chemical kinetics

    Science.gov (United States)

    Ren, Zhuyin; Pope, Stephen B.; Vladimirsky, Alexander; Guckenheimer, John M.

    2006-03-01

    This work addresses the construction and use of low-dimensional invariant manifolds to simplify complex chemical kinetics. Typically, chemical kinetic systems have a wide range of time scales. As a consequence, reaction trajectories rapidly approach a hierarchy of attracting manifolds of decreasing dimension in the full composition space. In previous research, several different methods have been proposed to identify these low-dimensional attracting manifolds. Here we propose a new method based on an invariant constrained equilibrium edge (ICE) manifold. This manifold (of dimension nr) is generated by the reaction trajectories emanating from its (nr-1)-dimensional edge, on which the composition is in a constrained equilibrium state. A reasonable choice of the nr represented variables (e.g., nr "major" species) ensures that there exists a unique point on the ICE manifold corresponding to each realizable value of the represented variables. The process of identifying this point is referred to as species reconstruction. A second contribution of this work is a local method of species reconstruction, called ICE-PIC, which is based on the ICE manifold and uses preimage curves (PICs). The ICE-PIC method is local in the sense that species reconstruction can be performed without generating the whole of the manifold (or a significant portion thereof). The ICE-PIC method is the first approach that locally determines points on a low-dimensional invariant manifold, and its application to high-dimensional chemical systems is straightforward. The "inputs" to the method are the detailed kinetic mechanism and the chosen reduced representation (e.g., some major species). The ICE-PIC method is illustrated and demonstrated using an idealized H2/O system with six chemical species. It is then tested and compared to three other dimension-reduction methods for the test case of a one-dimensional premixed laminar flame of stoichiometric hydrogen/air, which is described by a detailed mechanism

  10. Multiplicative by nature: Logarithmic transformation in allometry.

    Science.gov (United States)

    Packard, Gary C

    2014-06-01

    The traditional allometric method, which is at the heart of research paradigms used by comparative biologists around the world, entails fitting a straight line to logarithmic transformations of the original bivariate data and then back-transforming the resulting equation to form a two-parameter power function in the arithmetic scale. The method has the dual advantages of enabling investigators to fit statistical models that describe multiplicative growth while simultaneously addressing the multiplicative nature of residual variation in response variables (heteroscedasticity). However, important assumptions of the traditional method seldom are assessed in contemporary practice. When the assumptions are not met, mean functions may fail to capture the dominant pattern in the original data and incorrect form for error may be imposed upon the fitted model. A worked example from metabolic allometry in doves and pigeons illustrates both the power of newer statistical procedures and limitations of the traditional allometric method.

  11. Elemental composition method for computation and analysis of simultaneous chemical and phase equilibrium

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    An elemental composition method for computation and analysis of simultaneous chemical and phase equilibrium (CPE) of non-ideal mixtures is proposed. The concept of element is defined, the relationship between component composition and elemental composition is derived, and the concept of elemental potential and its physical meaning are further cleared from the view point of thermodynamics. The relationship between chemical potential and elemental potential is derived in the thermodynamic principles, and the computation equations for CPE problem are obtained based on elemental potential. A simple form of necessary and sufficient condition in terms of elemental composition for reactive azeotropes is derived, which takes the same functional form as the condition for azeotropes in non-reactive systems. The element in this note may be atoms, molecules or group radicals. The presented method is applicable to CPE problem of non-ideal mixtures, and the computation can be simplified by the dimension reducing method. The presented method was supplied to compute and analyze CPE problem of several examples and it is found that it is a robust and efficient method.

  12. A new particle-like method for high-speed flows with chemical non-equilibrium

    Directory of Open Access Journals (Sweden)

    Fábio Rodrigues Guzzo

    2010-04-01

    Full Text Available The present work is concerned with the numerical simulation of hypersonic blunt body flows with chemical non-equilibrium. New theoretical and numerical formulations for coupling the chemical reaction to the fluid dynamics are presented and validated. The fluid dynamics is defined for a stationary unstructured mesh and the chemical reaction process is defined for “finite quantities” moving through the stationary mesh. The fluid dynamics is modeled by the Euler equations and the chemical reaction rates by the Arrhenius law. Ideal gases are considered. The thermodynamical data are based on JANNAF tables and Burcat’s database. The algorithm proposed by Liou, known as AUSM+, is implemented in a cell-centered based finite volume method and in an unstructured mesh context. Multidimensional limited MUSCL interpolation method is used to perform property reconstructions and to achieve second-order accuracy in space. The minmod limiter is used. The second order accuracy, five stage, Runge-Kutta time-stepping scheme is employed to perform the time march for the fluid dynamics. The numerical code VODE, which is part of the CHEMKIN-II package, is adopted to perform the time integration for the chemical reaction equations. The freestream reacting fluid is composed of H2 and air at the stoichiometric ratio. The emphasis of the present paper is on the description of the new methodology for handling the coupling of chemical and fluid mechanic processes, and its validation by comparison with the standard time-splitting procedure. The configurations considered are the hypersonic flow over a wedge, in which the oblique detonation wave is induced by an oblique shock wave, and the hypersonic flow over a blunt body. Differences between the solutions obtained with each formulation are presented and discussed, including the effects of grid refinement in each case. The primary objective of such comparisons is the validation of the proposed methodology. Moreover, for

  13. Chemical reaction rates and non-equilibrium pressure of reacting gas mixtures in the state-to-state approach

    Energy Technology Data Exchange (ETDEWEB)

    Kustova, Elena V., E-mail: e.kustova@spbu.ru [Department of Mathematics and Mechanics, Saint Petersburg State University, 198504 Universitetskiy pr. 28, Saint Petersburg (Russian Federation); Kremer, Gilberto M., E-mail: kremer@fisica.ufpr.br [Departamento de Física, Universidade Federal do Paraná, Caixa Postal 19044, 81531-980 Curitiba (Brazil)

    2014-12-05

    Highlights: • State-to-state approach for coupled vibrational relaxation and chemical reactions. • Self-consistent model for rates of non-equilibrium reactions and energy transitions. • In viscous flows mass action law is violated. • Cross coupling between reaction rates and non-equilibrium pressure in viscous flow. • Results allow implementing the state-to-state approach for viscous flow simulations. - Abstract: Viscous gas flows with vibrational relaxation and chemical reactions in the state-to-state approach are analyzed. A modified Chapman–Enskog method is used for the determination of chemical reaction and vibrational transition rates and non-equilibrium pressure. Constitutive equations depend on the thermodynamic forces: velocity divergence and chemical reaction/transition affinity. As an application, N{sub 2} flow with vibrational relaxation across a shock wave is investigated. Two distinct processes occur behind the shock: for small values of the distance the affinity is large and vibrational relaxation is in its initial stage; for large distances the affinity is small and the chemical reaction is in its final stage. The affinity contributes more to the transition rate than the velocity divergence and the effect of these two contributions are more important for small distances from the shock front. For the non-equilibrium pressure, the term associated with the bulk viscosity increases by a small amount the hydrostatic pressure.

  14. Computation of Non-Equilibrium Chemically Reacting Hypersonic Flow from a Cartesian Mesh with Near Wall Viscous Resolution

    Directory of Open Access Journals (Sweden)

    V. Ashok

    2014-01-01

    Full Text Available A hybrid solution methodology has been developed to solve chemically reacting laminar hypersonic flow in chemical Non-equilibrium and thermal equilibrium, by a Cartesian mesh based hybrid solution methodology, which uses an unstructured prism layer solution near the wall and a Cartesian mesh solution away from the wall. The unstructured prism layer for near wall solution is obtained from the normal projection of wall panels of the Cartesian mesh and are stitched with the outer Cartesian mesh. The solver, developed based on this approach when compared with other chemically reacting CFD codes and limited experimental results show good comparison. This procedure has a good potential to handle near-wall resolution for chemically reacting flows with a Cartesian mesh for complex geometries as well.

  15. Chemical reaction rates and non-equilibrium pressure of reacting gas mixtures in the state-to-state approach

    Science.gov (United States)

    Kustova, Elena V.; Kremer, Gilberto M.

    2014-12-01

    Viscous gas flows with vibrational relaxation and chemical reactions in the state-to-state approach are analyzed. A modified Chapman-Enskog method is used for the determination of chemical reaction and vibrational transition rates and non-equilibrium pressure. Constitutive equations depend on the thermodynamic forces: velocity divergence and chemical reaction/transition affinity. As an application, N2 flow with vibrational relaxation across a shock wave is investigated. Two distinct processes occur behind the shock: for small values of the distance the affinity is large and vibrational relaxation is in its initial stage; for large distances the affinity is small and the chemical reaction is in its final stage. The affinity contributes more to the transition rate than the velocity divergence and the effect of these two contributions are more important for small distances from the shock front. For the non-equilibrium pressure, the term associated with the bulk viscosity increases by a small amount the hydrostatic pressure.

  16. Chemical equilibrium of hydrogen and aqueous solutions of 1 : 1 bicarbonate and formate salts with a common cation

    NARCIS (Netherlands)

    Engel, D.C.; Versteeg, G.F.; Swaaij, W.P.M. van

    1997-01-01

    The chemical equilibrium of hydrogen and aqueous solutions of 1:1 bicarbonate and formate salts with a common cation has been investigated in an intensively stirred batch reactor: MHCO3(aq) + H2(aq) ↔ MOOCH(aq) + H2O(l) This was accomplished for the sodium (M = Na), potassium (M = K) and ammonium (M

  17. Reviewing Some Crucial Concepts of Gibbs Energy in Chemical Equilibrium Using a Computer-Assisted, Guided-Problem-Solving Approach

    Science.gov (United States)

    Borge, Javier

    2015-01-01

    G, G°, ?rG, ?rG°, ?G, and ?G° are essential quantities to master the chemical equilibrium. Although the number of publications devoted to explaining these items is extremely high, it seems that they do not produce the desired effect because some articles and textbooks are still being written with some of these quantities that appear to be…

  18. Quantum-chemical calculations and electron diffraction study of the equilibrium molecular structure of vitamin K3

    Science.gov (United States)

    Khaikin, L. S.; Tikhonov, D. S.; Grikina, O. E.; Rykov, A. N.; Stepanov, N. F.

    2014-05-01

    The equilibrium molecular structure of 2-methyl-1,4-naphthoquinone (vitamin K3) having C s symmetry is experimentally characterized for the first time by means of gas-phase electron diffraction using quantum-chemical calculations and data on the vibrational spectra of related compounds.

  19. Studying Equilibrium in the Chemical Reaction between Ferric and Iodide Ions in Solution Using a Simple and Inexpensive Approach

    Science.gov (United States)

    Nikolaychuk, Pavel Anatolyevich; Kuvaeva, Alyona Olegovna

    2016-01-01

    A laboratory experiment on the study of the chemical equilibrium based on the reaction between ferric and iodide ions in solution with the formation of ferrous ions, free iodine, and triiodide ions is developed. The total concentration of iodide and triiodide ions in the reaction mixture during the reaction is determined by the argentometric…

  20. The role of non-equilibrium fluxes in the relaxation processes of the linear chemical master equation

    Energy Technology Data Exchange (ETDEWEB)

    Oliveira, Luciana Renata de; Bazzani, Armando; Giampieri, Enrico; Castellani, Gastone C., E-mail: Gastone.Castellani@unibo.it [Physics and Astronomy Department, Bologna University and INFN Sezione di Bologna (Italy)

    2014-08-14

    We propose a non-equilibrium thermodynamical description in terms of the Chemical Master Equation (CME) to characterize the dynamics of a chemical cycle chain reaction among m different species. These systems can be closed or open for energy and molecules exchange with the environment, which determines how they relax to the stationary state. Closed systems reach an equilibrium state (characterized by the detailed balance condition (D.B.)), while open systems will reach a non-equilibrium steady state (NESS). The principal difference between D.B. and NESS is due to the presence of chemical fluxes. In the D.B. condition the fluxes are absent while for the NESS case, the chemical fluxes are necessary for the state maintaining. All the biological systems are characterized by their “far from equilibrium behavior,” hence the NESS is a good candidate for a realistic description of the dynamical and thermodynamical properties of living organisms. In this work we consider a CME written in terms of a discrete Kolmogorov forward equation, which lead us to write explicitly the non-equilibrium chemical fluxes. For systems in NESS, we show that there is a non-conservative “external vector field” whose is linearly proportional to the chemical fluxes. We also demonstrate that the modulation of these external fields does not change their stationary distributions, which ensure us to study the same system and outline the differences in the system's behavior when it switches from the D.B. regime to NESS. We were interested to see how the non-equilibrium fluxes influence the relaxation process during the reaching of the stationary distribution. By performing analytical and numerical analysis, our central result is that the presence of the non-equilibrium chemical fluxes reduces the characteristic relaxation time with respect to the D.B. condition. Within a biochemical and biological perspective, this result can be related to the “plasticity property” of biological

  1. Effect of Chemical Composition on Enthalpy of Evaporation and Equilibrium Vapor Pressure

    CERN Document Server

    Dobruskin, Vladimir Kh

    2010-01-01

    Proceeding from the Clausius-Clapeyron equation, the relation is derived that establishes a correlation between the partial enthalpy of evaporation from binary solutions, concentrations of components, and equilibrium vapor pressures. The difference between enthalpies of evaporation of components from solutions and those from the pure liquids, D(DH), depends on the chemical nature and concentrations, X, of solutions. The effect of concentrations on D(DH) makes different appearances in ideal and non-ideal solutions, although, as a whole, D(DH) increases with the growth of concentration of the second component. A model is introduced, which considers D(DH) as the sum of energetic changes of three sequential stages: passage of molecules from the bulk liquid into the surface layer, exit of the molecules on the outer side of the interface, and the following desorption into the gas phase. In the framework of the model, the main contribution to enthalpy of evaporation comes from the processes in the surface layer. It ...

  2. Chemical equilibrium modeling of organic acids, pH, aluminum, and iron in Swedish surface waters.

    Science.gov (United States)

    Sjöstedt, Carin S; Gustafsson, Jon Petter; Köhler, Stephan J

    2010-11-15

    A consistent chemical equilibrium model that calculates pH from charge balance constraints and aluminum and iron speciation in the presence of natural organic matter is presented. The model requires input data for total aluminum, iron, organic carbon, fluoride, sulfate, and charge balance ANC. The model is calibrated to pH measurements (n = 322) by adjusting the fraction of active organic matter only, which results in an error of pH prediction on average below 0.2 pH units. The small systematic discrepancy between the analytical results for the monomeric aluminum fractionation and the model results is corrected for separately for two different fractionation techniques (n = 499) and validated on a large number (n = 3419) of geographically widely spread samples all over Sweden. The resulting average error for inorganic monomeric aluminum is around 1 µM. In its present form the model is the first internally consistent modeling approach for Sweden and may now be used as a tool for environmental quality management. Soil gibbsite with a log *Ks of 8.29 at 25°C together with a pH dependent loading function that uses molar Al/C ratios describes the amount of aluminum in solution in the presence of organic matter if the pH is roughly above 6.0.

  3. Correlated evolution of allometry and sexual dimorphism across higher taxa.

    Science.gov (United States)

    De Lisle, Stephen P; Rowe, Locke

    2013-11-01

    Empirical evidence suggests that Rensch's rule of allometric scaling of male and female body size, which states that body size divergence is greater across males than across females of a clade, is not universal. In fact, quantitative genetic theory indicates that the sex under historically stronger directional selection will exhibit greater interspecific variance in size. Thus, the pattern of covariance between allometry of male and female body size and sexual size dimorphism (SSD) across related clades allows a test of this causal hypothesis for macroevolutionary trends in SSD. We compiled a data set of published body size estimates from the amphibians, a class with predominantly female-biased SSD, to examine variation in allometry and SSD among clades. Our results indicate that females become the more size-variant sex across species in a family as the magnitude of SSD in that family increases. This rejects Rensch's rule and implicates selection on females as a driver of both amphibian allometry and SSD. Further, when we combine our data into a single analysis of allometry for the class, we find a significant nonlinear allometric relationship between female body size and male body size. These data suggest that allometry changes significantly as a function of size. Our results illustrate that the relationship between female size and male size varies with both the degree of sexual dimorphism and the body size of a clade.

  4. IGE Model: An Extension of the Ideal Gas Model to Include Chemical Composition as Part of the Equilibrium State

    Directory of Open Access Journals (Sweden)

    Christopher P. Paolini

    2012-01-01

    Full Text Available The ideal gas (IG model is probably the most well-known gas models in engineering thermodynamics. In this paper, we extend the IG model into an ideal gas equilibrium (IGE model mixture model by incorporating chemical equilibrium calculations as part of the state evaluation. Through a simple graphical interface, users can set the atomic composition of a gas mixture. We have integrated this model into a thermodynamic web portal TEST (http://thermofluids.sdsu.edu/ that contains Java applets for various models for properties of pure substances. In the state panel of the IGE model, the known thermodynamic properties are entered. For a given pressure and temperature, the mixture's Gibbs function is minimized subject to atomic constraints and the equilibrium composition along with thermodynamic properties of the mixture are calculated and displayed. What is unique about this approach is that equilibrium computations are performed in the background, without requiring any major change in the familiar user interface used in other state daemons. Properties calculated by this equilibrium state daemon are compared with results from other established applications such as NASA CEA and STANJAN. Also, two different algorithms, an iterative approach and a direct approach based on minimizing different thermodynamic functions in different situation, are compared.

  5. Demonstration of Chemical Equilibrium through Regeneration of Color in Blue Bottle Experiment

    Directory of Open Access Journals (Sweden)

    *R. Azmat

    2011-03-01

    Full Text Available Concept of equilibrium is very difficult to understand for under graduate students. This experiment has a good visual impact of demonstration of equilibrium and would be one way of stimulating awareness in chemistry. An alkaline solution of arabinose and methylene green in aqueous medium can be used to explain equilibrium visually through reaction of dissolved oxygen which was observed in “BLUE BOTTLE EXPERIMENT” that showed the shift of equilibrium by regeneration of color during shaking and upon standing equilibrium shift in the forward direction and color loss was observed. Shaking the solution raises the concentration of oxygen in the mixture and oxidizes the methylene green back to its blue form. When the dissolved oxygen has been consumed, the methylene green is slowly reduced back to its colorless form by the remaining arabinose and the cycle can be repeated many times by further shaking. The experiment was repeated with various concentrations of dye indicator, arabinose and sodium hydroxide concentration. It was observed that regeneration of color and colorloss is the best visual example of explanation of equilibrium.

  6. Prenatal Brain-Body Allometry in Mammals.

    Science.gov (United States)

    Halley, Andrew C

    2016-01-01

    Variation in relative brain size among adult mammals is produced by different patterns of brain and body growth across ontogeny. Fetal development plays a central role in generating this diversity, and aspects of prenatal physiology such as maternal relative metabolic rate, altriciality, and placental morphology have been proposed to explain allometric differences in neonates and adults. Primates are also uniquely encephalized across fetal development, but it remains unclear when this pattern emerges during development and whether it is common to all primate radiations. To reexamine these questions across a wider range of mammalian radiations, data on the primarily fetal rapid growth phase (RGP) of ontogenetic brain-body allometry was compiled for diverse primate (np = 12) and nonprimate (nnp = 16) mammalian species, and was complemented by later ontogenetic data in 16 additional species (np = 9; nnp = 7) as well as neonatal proportions in a much larger sample (np = 38; nnp = 83). Relative BMR, litter size, altriciality, and placental morphology fail to predict RGP slopes as would be expected if physiological and life history variables constrained fetal brain growth, but are associated with differences in birth timing along allometric trajectories. Prenatal encephalization is shared by all primate radiations, is unique to the primate Order, and is characterized by: (1) a robust change in early embryonic brain/body proportions, and (2) higher average RGP allometric slopes due to slower fetal body growth. While high slopes are observed in several nonprimate species, primates alone exhibit an intercept shift at 1 g body size. This suggests that primate prenatal encephalization is a consequence of early changes to embryonic neural and somatic tissue growth in primates that remain poorly understood.

  7. Models of Non-Stationary Thermodynamic Processes in Rocket Engines Taking into Account a Chemical Equilibrium of Combustion Products

    Directory of Open Access Journals (Sweden)

    A. V. Aliev

    2015-01-01

    Full Text Available The paper considers the two approach-based techniques for calculating the non-stationary intra-chamber processes in solid-propellant rocket engine (SPRE. The first approach assumes that the combustion products are a mechanical mix while the other one supposes it to be the mix, which is in chemical equilibrium. To enhance reliability of solution of the intra ballistic tasks, which assume a chemical equilibrium of combustion products, the computing algorithms to calculate a structure of the combustion products are changed. The algorithm for solving a system of the nonlinear equations of chemical equilibrium, when determining the iterative amendments, uses the orthogonal QR method instead of a method of Gauss. Besides, a possibility to apply genetic algorithms in a task about a structure of combustion products is considered.It is shown that in the tasks concerning the prediction of non-stationary intra ballistic characteristics in a solid propellant rocket engine, application of models of mechanical mix and chemically equilibrium structure of combustion products leads to qualitatively and quantitatively coinciding results. The maximum difference in parameters is 5-10%, at most. In tasks concerning the starting operation of a solid sustainer engine with high-temperature products of combustion difference in results is more essential, and can reach 20% and more.A technique to calculate the intra ballistic parameters, in which flotation of combustion products is considered in the light of a spatial statement, requires using the high-performance computer facilities. For these tasks it is offered to define structure of products of combustion and its thermo-physical characteristics, using the polynoms coefficients of which should be predefined.

  8. Prediction of the Chapman–Jouguet chemical equilibrium state in a detonation wave from first principles based reactive molecular dynamics

    OpenAIRE

    Guo, Dezhou; Zybin, Sergey V.; An, Qi; Goddard, William A.; Huang, Fenglei

    2016-01-01

    The combustion or detonation of reacting materials at high temperature and pressure can be characterized by the Chapman–Jouguet (CJ) state that describes the chemical equilibrium of the products at the end of the reaction zone of the detonation wave for sustained detonation. This provides the critical properties and product kinetics for input to macroscale continuum simulations of energetic materials. We propose the ReaxFF Reactive Dynamics to CJ point protocol (Rx2CJ) for predicting the CJ s...

  9. Information performances and illative sequences: Sequential organization of explanations of chemical phase equilibrium

    Science.gov (United States)

    Brown, Nathaniel James Swanton

    While there is consensus that conceptual change is surprisingly difficult, many competing theories of conceptual change co-exist in the literature. This dissertation argues that this discord is partly the result of an inadequate account of the unwritten rules of human social interaction that underlie the field's preferred methodology---semi-structured interviewing. To better understand the contributions of interaction during explanations, I analyze eight undergraduate general chemistry students as they attempt to explain to various people, for various reasons, why phenomena involving chemical phase equilibrium occur. Using the methods of interaction analysis, I characterize the unwritten, but systematic, rules that these participants follow as they explain. The result is a description of the contributions of interaction to explaining. Each step in each explanation is a jointly performed expression of a subject-predicate relation, an interactive accomplishment I call an information performance (in-form, for short). Unlike clauses, in-forms need not have a coherent grammatical structure. Unlike speaker turns, in-forms have the clear function of expressing information. Unlike both clauses and speaker turns, in-forms are a co-construction, jointly performed by both the primary speaker and the other interlocutor. The other interlocutor strongly affects the form and content of each explanation by giving or withholding feedback at the end of each in-form, moments I call feedback-relevant places. While in-forms are the bricks out of which the explanation is constructed, they are secured by a series of inferential links I call an illative sequence. Illative sequences are forward-searching, starting with a remembered fact or observation and following a chain of inferences in the hope it leads to the target phenomenon. The participants treat an explanation as a success if the illative sequence generates an in-form that describes the phenomenon. If the illative sequence does

  10. Postnatal long bone growth in terrestrial placental mammals: allometry, life history, and organismal traits.

    Science.gov (United States)

    Kilbourne, Brandon M; Makovicky, Peter J

    2012-10-01

    The ontogenetic allometry of long bone proportions is poorly understood in Mammalia. It has previously been suggested that during mammalian ontogeny long bone proportions grow more slender (positive allometry; length ∝ circumference(>1.0) ), although this conclusion was based upon data from a few small-bodied taxa. It remains unknown how ontogenetic long bone allometry varies across Mammalia in terms of both taxonomy and body size. We collected long bone length and circumference data for ontogenetic samples of 22 species of mammals spanning six major clades and three orders of magnitude in body mass. Using reduced major axis bivariate regressions to compare bone length to circumference, we found that isometry and positive allometry are the most widespread patterns of growth across mammals. Negative allometry (i.e., bones growing more robust during ontogeny) occurs in mammals but is largely restricted to cetartiodactyls. Using regression slope as a proxy for long bone allometry, we compared long bone allometry to life history and organismal traits. Neonatal body mass, adult body mass, and growth rate have a negative relationship with long bone allometry. At an adult mass of roughly 15-20 kg, long bone growth shifts from positive allometry to mainly isometry and negative allometry. There were no significant relationships between ontogenetic long bone allometry and either cursoriality or basal metabolic rate.

  11. Thermal And Chemical Non-Equilibrium Effects In The Wake Of A Boundary-Layer Sized Object In Hypersonic Flows

    Science.gov (United States)

    Birrer, Marcel; Stemmer, Christian; Adams, Nikolaus N.

    2011-05-01

    Investigations of hypersonic boundary-layer flows around a cubical obstacle with a height in the order of half the boundary layer thickness were carried out in this work. Special interest was laid on the influence of chemical non-equilibrium effects on the wake flow of the obstacle. Direct numerical simulations were conducted using three different gas models, a caloric perfect, an equilibrium and a chemical non-equilibrium gas model. The geometry was chosen as a wedge with a six degree half angle, according to the aborted NASA HyBoLT free flight experiment. At 0.5 m downstream of the leading edge, a surface trip was positioned. The free-stream flow was set to Mach 8.5 with air conditions taken from the 1976 standard atmosphere at an altitude of 42 km according to the predicted flight path. The simulations were done in three steps for all models. First, two-dimensional calculations of the whole configuration including the leading edge and the obstacle were conducted. These provide constant span-wise profiles for detailed, steady three-dimensional simulations around the close vicinity of the obstacle. A free-stream Mach number of about 6.3 occurs behind the shock. A cross-section in the wake of the object then delivers the steady inflow for detailed unsteady simulations of the wake. Perturbations at unstable frequencies, obtained from a bi-global secondary stability analysis, were added to these profiles. The solutions are time-Fourier transformed to investigate the unsteady downstream development of the different modes due to the interaction with the base-flow containing two counter-rotating vortices. Results will be presented that show the influence of the presence of chemical non-equilibrium on the instability in the wake of the object leading to a laminar or a turbulent wake.

  12. Ecological allometries and niche use dynamics across Komodo dragon ontogeny

    Science.gov (United States)

    Purwandana, Deni; Ariefiandy, Achmad; Imansyah, M. Jeri; Seno, Aganto; Ciofi, Claudio; Letnic, Mike; Jessop, Tim S.

    2016-04-01

    Ontogenetic allometries in ecological habits and niche use are key responses by which individuals maximize lifetime fitness. Moreover, such allometries have significant implications for how individuals influence population and community dynamics. Here, we examined how body size variation in Komodo dragons ( Varanus komodoensis) influenced ecological allometries in their: (1) prey size preference, (2) daily movement rates, (3) home range area, and (4) subsequent niche use across ontogeny. With increased body mass, Komodo dragons increased prey size with a dramatic switch from small (≤10 kg) to large prey (≥50 kg) in lizards heavier than 20 kg. Rates of foraging movement were described by a non-linear concave down response with lizard increasing hourly movement rates up until ˜20 kg body mass before decreasing daily movement suggesting reduced foraging effort in larger lizards. In contrast, home range area exhibited a sigmoid response with increased body mass. Intrapopulation ecological niche use and overlap were also strongly structured by body size. Thus, ontogenetic allometries suggest Komodo dragon's transition from a highly active foraging mode exploiting small prey through to a less active sit and wait feeding strategy focused on killing large ungulates. Further, our results suggest that as body size increases across ontogeny, the Komodo dragon exhibited marked ontogenetic niche shifts that enabled it to function as an entire vertebrate predator guild by exploiting prey across multiple trophic levels.

  13. Optimal foraging, not biogenetic law, predicts spider orb web allometry

    Science.gov (United States)

    Gregorič, Matjaž; Kiesbüy, Heine C.; Quiñones Lebrón, Shakira G.; Rozman, Alenka; Agnarsson, Ingi; Kuntner, Matjaž

    2013-03-01

    The biogenetic law posits that the ontogeny of an organism recapitulates the pattern of evolutionary changes. Morphological evidence has offered some support for, but also considerable evidence against, the hypothesis. However, biogenetic law in behavior remains underexplored. As physical manifestation of behavior, spider webs offer an interesting model for the study of ontogenetic behavioral changes. In orb-weaving spiders, web symmetry often gets distorted through ontogeny, and these changes have been interpreted to reflect the biogenetic law. Here, we test the biogenetic law hypothesis against the alternative, the optimal foraging hypothesis, by studying the allometry in Leucauge venusta orb webs. These webs range in inclination from vertical through tilted to horizontal; biogenetic law predicts that allometry relates to ontogenetic stage, whereas optimal foraging predicts that allometry relates to gravity. Specifically, pronounced asymmetry should only be seen in vertical webs under optimal foraging theory. We show that, through ontogeny, vertical webs in L. venusta become more asymmetrical in contrast to tilted and horizontal webs. Biogenetic law thus cannot explain L. venusta web allometry, but our results instead support optimization of foraging area in response to spider size.

  14. Relating urban scaling, fundamental allometry, and density scaling

    CERN Document Server

    Rybski, Diego

    2016-01-01

    We study the connection between urban scaling, fundamental allometry (between city population and city area), and per capita vs.\\ population density scaling. From simple analytical derivations we obtain the relation between the 3 involved exponents. We discuss particular cases and ranges of the exponents which we illustrate in a "phase diagram". As we show, the results are consistent with previous work.

  15. Aruscular mycorhizal fungi alter plant allometry and biomass - density relationships

    DEFF Research Database (Denmark)

    Zhang, Qian; Zhang, Lu; Weiner, Jacob;

    2011-01-01

    fungi (AMF) can promote plant growth and affect plant form. Here experiments were carried out to test whether AMF affect plant allometry and the self-thinning trajectory. Methods Two experiments were conducted on Medicago sativa L., a leguminous species known to be highly dependent on mycorrhiza. Two...

  16. Geographical variation in allometry in the guppy (Poecilia reticulata).

    Science.gov (United States)

    Egset, C K; Bolstad, G H; Rosenqvist, G; Endler, J A; Pélabon, C

    2011-12-01

    Variation in static allometry, the power relationship between character size and body size among individuals at similar developmental stages, remains poorly understood. We tested whether predation or other ecological factors could affect static allometry by comparing the allometry between the caudal fin length and the body length in adult male guppies (Poecilia reticulata) among populations from different geographical areas, exposed to different predation pressures. Neither the allometric slopes nor the allometric elevations (intercept at constant slope) changed with predation pressure. However, populations from the Northern Range in Trinidad showed allometry with similar slopes but lower intercepts than populations from the Caroni and the Oropouche drainages. Because most of these populations are exposed to predation by the prawn Macrobrachium crenulatum, we speculated that the specific selection pressures exerted by this predator generated this change in relative caudal fin size, although effects of other environmental factors could not be ruled out. This study further suggests that the allometric elevation is more variable than the allometric slope.

  17. Equilibrium sampling of hydrophobic organic chemicals in sediments: challenges and new approaches

    DEFF Research Database (Denmark)

    Schaefer, S.; Mayer, Philipp; Becker, B.

    2015-01-01

    . Finally, the model was used to determine c free of PCBs at different sites. Next to non-equilibrium partitioning for some compounds, we had difficulties in detecting target analytes such as p,p’- DDT in coated glass extracts despite high c total in the respective sediment samples. We will demonstrate...

  18. Does the Addition of Inert Gases at Constant Volume and Temperature Affect Chemical Equilibrium?

    Science.gov (United States)

    Paiva, Joao C. M.; Goncalves, Jorge; Fonseca, Susana

    2008-01-01

    In this article we examine three approaches, leading to different conclusions, for answering the question "Does the addition of inert gases at constant volume and temperature modify the state of equilibrium?" In the first approach, the answer is yes as a result of a common students' alternative conception; the second approach, valid only for ideal…

  19. Equilibrium chemical reaction of supersonic hydrogen-air jets (the ALMA computer program)

    Science.gov (United States)

    Elghobashi, S.

    1977-01-01

    The ALMA (axi-symmetrical lateral momentum analyzer) program is concerned with the computation of two dimensional coaxial jets with large lateral pressure gradients. The jets may be free or confined, laminar or turbulent, reacting or non-reacting. Reaction chemistry is equilibrium.

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

    DEFF Research Database (Denmark)

    Frost, Michael Grynnerup

    . Thesechemicals belong to different families like alcohols, glycols, alkanolamines, surfactants andpolymers. They have various functions, e.g., methanol and MEG are used as gas hydrate inhibitors,surfactants are used to lower interfacial tension between crude oil and microemulsion and polymersin a polymer......-waterflooding process act primarily as thickeners. The main purpose of this work, focusing on the phase equilibrium of complex systems containingthermodynamic gas hydrate inhibitors, is to give a solid contribution in bridging the existing gaps inwhat experimental data is concerned. This was achieved not just...... with the measurement of newexperimental data, but through the development of new experimental equipment for the study ofmulti-phase equilibrium. In addition to measurement of well-defined systems, LLE have beenmeasured for North Sea oils with MEG and water. The work can be split up into two parts: Experimental: VLE...

  1. Biosorption of Cu (II onto chemically modified waste mycelium of Aspergillus awamori: Equilibrium, kinetics and modeling studies

    Directory of Open Access Journals (Sweden)

    ZDRAVKA VELKOVA

    2012-01-01

    Full Text Available The biosorption potential of chemically modified waste mycelium of industrial xylanase-producing strain Aspergillus awamori for Cu (II removal from aqueous solutions was evaluated. The influence of pH, contact time and initial Cu (II concentration on the removal efficiency was evaluated. Maximum biosorption capacity was reached by sodium hydroxide treated waste fungal mycelium at pH 5.0. The Langmuir adsorption equation matched very well the adsorption equilibrium data in the studied conditions. The process kinetic followed the pseudo-firs order model.

  2. Phase equilibrium of North Sea oils with polar chemicals: Experiments and CPA modeling

    DEFF Research Database (Denmark)

    Frost, Michael Grynnerup; Kontogeorgis, Georgios M.; von Solms, Nicolas;

    2016-01-01

    This work consists of a combined experimental and modeling study for oil - MEG - water systems, of relevance to petroleum applications. We present new experimental liquid-liquid equilibrium data for the mutual solubility of two North Sea oils + MEG and North Sea oils + MEG + water systems...... in the temperature range 303.15-323.15 K and at atmospheric pressure. These new data are for North Sea oils which are substantially heavier and with higher aromatic/naphthenic content compared to previous studies. The new data compare favorably with previously reported measurements for other North Sea oils. The data...

  3. Chemical kinetics and relaxation of non-equilibrium air plasma generated by energetic photon and electron beams

    Science.gov (United States)

    Maulois, Melissa; Ribière, Maxime; Eichwald, Olivier; Yousfi, Mohammed; Azaïs, Bruno

    2016-04-01

    The comprehension of electromagnetic perturbations of electronic devices, due to air plasma-induced electromagnetic field, requires a thorough study on air plasma. In the aim to understand the phenomena at the origin of the formation of non-equilibrium air plasma, we simulate, using a volume average chemical kinetics model (0D model), the time evolution of a non-equilibrium air plasma generated by an energetic X-ray flash. The simulation is undertaken in synthetic air (80% N2 and 20% O2) at ambient temperature and atmospheric pressure. When the X-ray flash crosses the gas, non-relativistic Compton electrons (low energy) and a relativistic Compton electron beam (high energy) are simultaneously generated and interact with the gas. The considered chemical kinetics scheme involves 26 influent species (electrons, positive ions, negative ions, and neutral atoms and molecules in their ground or metastable excited states) reacting following 164 selected reactions. The kinetics model describing the plasma chemistry was coupled to the conservation equation of the electron mean energy, in order to calculate at each time step of the non-equilibrium plasma evolution, the coefficients of reactions involving electrons while the energy of the heavy species (positive and negative ions and neutral atoms and molecules) is assumed remaining close to ambient temperature. It has been shown that it is the relativistic Compton electron beam directly created by the X-ray flash which is mainly responsible for the non-equilibrium plasma formation. Indeed, the low energy electrons (i.e., the non-relativistic ones) directly ejected from molecules by Compton collisions contribute to less than 1% on the creation of electrons in the plasma. In our simulation conditions, a non-equilibrium plasma with a low electron mean energy close to 1 eV and a concentration of charged species close to 1013 cm-3 is formed a few nanoseconds after the peak of X-ray flash intensity. 200 ns after the flash

  4. COMPUTATION METHOD OF CHEMICAL EQUILIBRIUM OF COMPLEX SYSTEM%复杂体系化学平衡组成计算方法

    Institute of Scientific and Technical Information of China (English)

    邓文生; 贾冬梅; 张青山; 李民丽

    2004-01-01

    The chaos-Monte Carlo algorithm (CMCA) was proposed for solving chemical equilibrium of complex system. By introducing random well-distributed points into the Monte Carlo algorithm, this new approach showed good convergent probability and high-speed. Equilibrium composition of some complex systems, such as methanol synthesis, ammonia oxidation, and Claus process were calculated. The results showed good agreement with Liu Xiaodi's and Xu Jinhuo's calculations. Compared with the gradient method, the genetic algorithm and the modified genetic algorithm, the CMCA is simple, general and insensitive to initial value. It is an efficient algorithm based on the theory of minimization of Gibbs free energy to solve chemical equilibrium of complex system.

  5. Mixing and non-equilibrium chemical reaction in a compressible mixing layer. M.S. Thesis Final Report

    Science.gov (United States)

    Steinberger, Craig J.

    1991-01-01

    The effects of compressibility, chemical reaction exothermicity, and non-equilibrium chemical modeling in a reacting plane mixing layer were investigated by means of two dimensional direct numerical simulations. The chemical reaction was irreversible and second order of the type A + B yields Products + Heat. The general governing fluid equations of a compressible reacting flow field were solved by means of high order finite difference methods. Physical effects were then determined by examining the response of the mixing layer to variation of the relevant non-dimensionalized parameters. The simulations show that increased compressibility generally results in a suppressed mixing, and consequently a reduced chemical reaction conversion rate. Reaction heat release was found to enhance mixing at the initial stages of the layer growth, but had a stabilizing effect at later times. The increased stability manifested itself in the suppression or delay of the formation of large coherent structures within the flow. Calculations were performed for a constant rate chemical kinetics model and an Arrhenius type kinetic prototype. The choice of the model was shown to have an effect on the development of the flow. The Arrhenius model caused a greater temperature increase due to reaction than the constant kinetic model. This had the same effect as increasing the exothermicity of the reaction. Localized flame quenching was also observed when the Zeldovich number was relatively large.

  6. NON-EQUILIBRIUM STATIONARY STATE IN CHEMICAL REACTION OF SiO2/Fe AT INTERFACE OF SLAG/METAL AND ITS STABILITY DURING ARC WELDING

    Institute of Scientific and Technical Information of China (English)

    LI Xiaoquan; DU Zeyu; YANG Xuguang

    2007-01-01

    For characteristics of open and far from thermodynamic equilibrium in welding chemical reaction, a new kind of quantitative method, which is used to analyze direction and extent for chemical reaction of SiO2/Fe during quasi-steady state period, is introduced with the concept of non-equilibrium stationary state. The main idea is based on thermodynamic driving forces, which result in non-zero thermodynamic fluxes and lead to chemical reaction far away from thermodynamic equilibrium. There exists certain dynamic equilibrium relationship between rates of diffusion fluxes in liquid phase of reactants or products and the rate equation of chemical reaction when welding is in quasi-steady state. As result of this, a group of non-linear equations containing concentrations of all substances at interface of slag/liquid-metal may be established. Moreover the stability of this non-equilibrium stationary state is discussed using dissipative structure theory and it is concluded theoretically that this non-equilibrium stationary state for welding chemical reaction is of stability.

  7. ROOT ALLOMETRY OF TWO SUBTROPICAL PLANT COMMUNITIES OF NORTHEASTERN MEXICO

    OpenAIRE

    Eduardo de los Ríos-Carrasco; José de Jesús Návar-Cháidez

    2010-01-01

    This research work aimed at the study of the root allometry in sub-tropical Tamaulipan thornscrub and pine forest communities of Nuevo Leon, Mexico. By excavating each individual root of each of 20 trees per plant community, we developed root allometric equations for biomass, volume, total length and diameter. Covariance analysis, ancova, was employed to determine the statistical difference of these variables between plant communities. Results indicate that pine plant trees have larger root v...

  8. The allometry of number of feathers in birds changes seasonally

    Institute of Scientific and Technical Information of China (English)

    Anders Pape Møller

    2015-01-01

    Background:Feathers are a defining feature of birds with multiple functions such as flight, insulation, protection against predation and signaling. Feathers are lost during the annual molt while the rate of such loss at other times of the year and its fitness consequences remain poorly known. Methods:I used information on the number and the mass of feathers for 160 individuals belonging to 85 species of birds in general linear mixed models to analyze allometry of feathers and to investigate possible factors explaining variation in the number of feathers. A phylogenetic effect was assessed by quantifying the random effect of genus. Results:The total mass of feathers increased isometrically with body mass, while the total number of feathers and the mean mass of feathers showed negative allometry. Negative allometry implied that small-sized species had relatively many small feathers. There was a negative association between the number of feathers and migration distance. The total number of feathers initially increased during fall and winter, consistent with individuals growing more feathers later during the year or with individuals with fewer feathers selectively disappearing from the population. In contrast, the number of feathers decreased from winter through spring and summer. Conclusions:These findings suggest that thermoregulation has affected the evolution of the number and the size of feathers, there is selection against feather loss, and that the number of feathers varies across seasons.

  9. The allometry of number of feathers in birds changes seasonally

    Institute of Scientific and Technical Information of China (English)

    Anders; Pape; Mller

    2015-01-01

    Background: Feathers are a defining feature of birds with multiple functions such as flight, insulation, protection against predation and signaling. Feathers are lost during the annual molt while the rate of such loss at other times of the year and its fitness consequences remain poorly known.Methods: I used information on the number and the mass of feathers for 160 individuals belonging to 85 species of birds in general linear mixed models to analyze allometry of feathers and to investigate possible factors explaining variation in the number of feathers. A phylogenetic effect was assessed by quantifying the random effect of genus.Results: The total mass of feathers increased isometrically with body mass, while the total number of feathers and the mean mass of feathers showed negative allometry. Negative allometry implied that small-sized species had relatively many small feathers. There was a negative association between the number of feathers and migration distance. The total number of feathers initially increased during fall and winter, consistent with individuals growing more feathers later during the year or with individuals with fewer feathers selectively disappearing from the population. In contrast, the number of feathers decreased from winter through spring and summer.Conclusions: These findings suggest that thermoregulation has affected the evolution of the number and the size of feathers, there is selection against feather loss, and that the number of feathers varies across seasons.

  10. Development of a continuum/rarefied hybrid scheme for flows with thermal and chemical non-equilibrium

    Science.gov (United States)

    Michaelis, Christopher Harold

    2001-07-01

    The motion of a gas may be studied from the microscopic or macroscopic point of view. At the microscopic level, molecules are constantly moving and colliding, and occasionally reacting to form new species. The accepted model for describing gases at the microscopic level is the Boltzmann equation. In contrast, macroscopic models rely on the conservation laws, combined with constitutive relations, which approximate the molecular relaxation in a gas. The resulting set of equations, called the Navier- Stokes equations, represent an approximation to the Boltzmann equation for small non-equilibrium. For flows that are sufficiently rarefied, the Navier- Stokes equations no longer represent an accurate approximation of the Boltzmann equation. Numerical solutions of the Boltzmann equation may be obtained through the direct simulation of molecular motion. Such approaches are termed Monte Carlo, or particle methods. In principle, particle methods can be used to simulate all flows, regardless of the degree of non-equilibrium. There are many instances where neither approach is ideal. One such example is the reentry of a blunt body through the atmosphere. Ahead of the body, there is a very strong shock wave that cannot be adequately modeled by the Navier-Stokes equations, due to the degree of non- equilibrium. At the surface of the blunt body, the temperature is substantially colder than the surrounding flow, resulting in a large increase in the density next to the surface. In this region, where the flow is near- continuum, particle methods are not computationally efficient. A numerical method that utilizes the Navier-Stokes equations in regions of near-continuum flow and a particle method everywhere else is ideal. In this study, a hybrid scheme, for the efficient numerical simulation of flows with thermal and chemical non-equilibrium, is successfully demonstrated. The hybrid method was applied to extreme, high Mach number flows, where vibrational and chemical relaxation are

  11. Adsorptive Removal of Formaldehyde by Chemically Bamboo Activated Carbon with addition of Ag nanoparticle: Equilibrium and Kinetic

    Directory of Open Access Journals (Sweden)

    Pita Rengga Wara Dyah

    2016-01-01

    Full Text Available Carbon was prepared from dried waste bamboo (Dendrocalamus asper using chemical activation with KOH. The carbon was prepared with the activating agent in a mass ratio of KOH and dried bamboo (3:1 at 800oC. Using impregnation technique, the bamboo-based activated carbon has developed with modified Ag nanoparticle (Ag-AC to capture formaldehyde. The Ag-AC has characteristics of moderate surface area of 685 m2/g and average pore size of 2.7 nm. The adsorption equilibriums and kinetics of formaldehyde on Ag-AC measured. The influences of initial formaldehyde on adsorption performance have measured in a batch system. The equilibrium data were evaluated by isotherm models of Langmuir, Freundlich, and Temkin. The Langmuir model well describes the adsorptive removal of formaldehyde on Ag-AC in this study. Pseudo-first-order and pseudo-second-order kinetic equations were applied to test the experimental data. The pseudo-second-order exhibited the best fit for kinetic study.

  12. Students misconceptions on chemical equilibrium and their consequences to biochemistry learning

    Directory of Open Access Journals (Sweden)

    E. Montagna

    2011-04-01

    Full Text Available It is well documented that misconceptions onchemical equilibrium (CE are widespread among students in  higher education. Nevertheless CE concept is critical for biochemistry topics development such as buffer solutions, enzymekinetics, allosteric enzymes, metabolic networks, among others. In the present work weperformed tests in order to diagnose howstudents use the concepts of CE acquired inother courses. We tested high school andundergraduate students from two courses intwo institutions, in four moments of their course: a. freshmen; b. after basic general chemistry courses; c. along the biochemistrycourse and d. after physical chemistry courses. The tests dealt with: 1. tasks containing current terms, keywords and concepts about CE; 2. tests that exclusively use symbolic representations of CE and 3. application of elementary concepts of CE in biochemistry. The resultsshow that among thestudents: 1. more than 95% correctly answer questions of group1; 2. more than 50% fail in questions of group 2, and; 3. morethan 50% fail in questions of the group 3. We conclude that students solve tests  on CE without really understand the concepts involved; consequently studentsare unable to work CE concepts without mathematical tools or conventional formulas.Finally, the results show that students are restricted to use CE concept only in the context in which it was learned and this certainly impairs the significant learning of the forthcoming biochemical contents.

  13. Parameterization of the Non-Local Thermodynamic Equilibrium Source Function with Chemical Production by an Equivalent Two-Level Model

    Institute of Scientific and Technical Information of China (English)

    Xun ZHU

    2003-01-01

    The classic two-level or equivalent two-level model that includes only the statistical equilibriumof radiative and thermal processes of excitation and quenching between two vibrational energy levelsis extended by adding chemical production to the rate equations. The modifications to the non-localthermodynamic equilibrium source function and cooling rate are parameterized by φc, which characterizesthe ratio of chemical production to collisional quenching. For applications of broadband emission of O3 at9.6 μm, the non-LTE effect of chemical production on the cooling rate and limb emission is proportionalto the ratio of O to O3. For a typical [O]/[O3], the maximum enhancements of limb radiance and coolingrate are about 15%-30% and 0.03-0.05 K day-1, respectively, both occurring near the mesopause regions.This suggests that the broadband limb radiance above ~80 km is sensitive to O3 density but not sensitiveto the direct cooling rate along the line-of-sight, which makes O3 retrieval feasible but the direct coolingrate retrieval difficult by using the O3 9.6 μm band limb emission.

  14. A DFT based equilibrium study of a chemical mixture Tachyhydrite and their lower hydrates for long term heat storage

    Science.gov (United States)

    Pathak, A. D.; Nedea, S. V.; Zondag, H. A.; Rindt, C. C. M.; Smeulders, D. M. J.

    2016-09-01

    Chloride based salt hydrates are promising materials for seasonal heat storage. However, hydrolysis, a side reaction, deteriorates, their cycle stability. To improve the kinetics and durability, we have investigated the optimum operating conditions of a chemical mixture of CaCl2 and MgCl2 hydrates. In this study, we apply a GGA-DFT to gain insight into the various hydrates of CaMg2Cl6. We have obtained the structural properties, atomic charges and vibrational frequencies of CaMg2Cl6 hydrates. The entropic contribution and the enthalpy change are quantified from ground state energy and harmonic frequencies. Subsequently, the change in the Gibbs free energy of thermolysis was obtained under a wide range of temperature and pressure. The equilibrium product concentration of thermolysis can be used to design the seasonal heat storage system under different operating conditions.

  15. Using a chemical equilibrium model to predict amendments required to precipitate phosphorus as struvite in liquid swine manure.

    Science.gov (United States)

    Celen, Ipek; Buchanan, John R; Burns, Robert T; Robinson, R Bruce; Raman, D Raj

    2007-04-01

    Precipitation of phosphate minerals from liquid swine manure is an established means of reducing the orthophosphate (OP) concentration. This project investigated the usefulness of a chemical equilibrium model, Visual Minteq, for prescribing the amendments needed to maximize struvite precipitation from liquid swine manure and thus reduce the OP phosphorus concentration. The actual concentrations of Mg(2+), Ca(2+), K(+), OP, NH(4)(+), alkalinity and pH from a liquid swine manure system were used as inputs to the model. The model was modified to remove species with extremely low formation rates, because they would not significantly precipitate in the reaction occurring in a short retention-time process such as those envisioned for swine manure struvite-formation reactors. Using the model's output, a series of 19-L reactors were used to verify the results. Verification results demonstrated that Visual Minteq can be used to pre-determine the concentration of amendments required to maximize struvite recovery.

  16. General Reynolds analogy on curved surfaces in hypersonic rarefied gas flows with non-equilibrium chemical reactions

    Science.gov (United States)

    Xingxing, Chen; Zhihui, Wang; Yongliang, Yu

    2016-11-01

    Hypersonic chemical non-equilibrium gas flows around blunt nosed bodies are studied in the present paper to investigate the Reynolds analogy relation on curved surfaces. With a momentum and energy transfer model being applied through boundary layers, influences of molecular dissociations and recombinations on skin frictions and heat fluxes are separately modeled. Expressions on the ratio of Cf / Ch (skin friction coefficient to heat flux) are presented along the surface of circular cylinders under the ideal dissociation gas model. The analysis indicates that molecular dissociations increase the linear distribution of Cf / Ch, but the nonlinear Reynolds analogy relation could ultimately be obtained in flows with larger Reynolds numbers and Mach numbers, where the decrease of wall heat flux by molecular recombinations signifies. The present modeling and analyses are also verified by the DSMC calculations on nitrogen gas flows.

  17. 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.

  18. Entropy production in chemically non-equilibrium quark-gluon plasma created in central Pb+Pb collisions at LHC energies

    CERN Document Server

    Vovchenko, V; Satarov, L M; Mishustin, I N; Csernai, L P; Kisel, I; Stoecker, H

    2016-01-01

    We study the possibility that partonic matter produced at early stage of ultrarelativistic heavy-ion collisions is out of chemical equilibrium. It is assumed that initially this matter is mostly composed of gluons, but quarks and antiquarks are produced at later times. The dynamical evolution of partonic system is described by the Bjorken-like ideal hydrodynamics with a time dependent quark fugacity. The results of this model are compared with those obtained by assuming the complete chemical equilibrium of partons already at the initial stage. It is shown that in a chemically non-equilibrium scenario the entropy gradually increases, and about 25% of the total final entropy is generated during the hydrodynamic evolution of deconfined matter. We argue that the (anti)quark suppression included in this approach may be responsible for reduced (anti)baryon to meson ratios observed in heavy-ion collisions at LHC energies.

  19. PACKAGE (Plasma Analysis, Chemical Kinetics and Generator Efficiency): a computer program for the calculation of partial chemical equilibrium/partial chemical rate controlled composition of multiphased mixtures under one dimensional steady flow

    Energy Technology Data Exchange (ETDEWEB)

    Yousefian, V.; Weinberg, M.H.; Haimes, R.

    1980-02-01

    The NASA CEC Code was the starting point for PACKAGE, whose function is to evaluate the composition of a multiphase combustion product mixture under the following chemical conditions: (1) total equilibrium with pure condensed species; (2) total equilibrium with ideal liquid solution; (3) partial equilibrium/partial finite rate chemistry; and (4) fully finite rate chemistry. The last three conditions were developed to treat the evolution of complex mixtures such as coal combustion products. The thermodynamic variable pairs considered are either pressure (P) and enthalpy, P and entropy, at P and temperature. Minimization of Gibbs free energy is used. This report gives detailed discussions of formulation and input/output information used in the code. Sample problems are given. The code development, description, and current programming constraints are discussed. (DLC)

  20. Optimization of Gas-Water Absorption Equilibrium of Carbon Dioxide for Algae Liquors: Selection of Alkaline Buffering Chemicals

    Directory of Open Access Journals (Sweden)

    Wen-Hsi Cheng

    2016-01-01

    Full Text Available The apparent Henry’s Law constant (H′, which quantifies the concentration partition of a gas-liquid equilibrium of carbon dioxide (CO2, is used to optimize the absorption of carbon dioxide in algae liquors. The values of H′ were examined under various conditions: in water at different temperatures (27 and 37°C, in alkaline buffering chemicals (sodium hydroxide (NaOH and sodium carbonate (Na2CO3, and in aquatic algae plants (Egeria densa and Anubias barteri nana. The optimal conditions for CO2 absorption can be obtained by controlling the aqueous pH values (around weak alkalinity with pH 9-10 using sodium carbonate as an alkaline buffering chemical at 27°C, yielding exact H′ values of around 16.3–21.3 atm/M, which were obtained from the mean gaseous CO2 concentration of 803 ppm and the total aqueous carbonate concentration of 4.085 mg/L. The experimental results reveal that an alkaline buffering compound, sodium carbonate, can be added to water to maintain a constant aqueous alkalinity enough for the fixation of carbon dioxide by the photosynthesis of green algae in a photobioreactor.

  1. 基于 ISM 法分析化学平衡%An Analysis of Chemical Equilibrium Based on ISM

    Institute of Scientific and Technical Information of China (English)

    石凌远; 郑子山; 喻彬

    2016-01-01

    正确的教材分析是完成教学目标的基础。用结构解释模型(ISM法)分析化学教材,可以使教材内容更加清晰明了。用ISM法建立的教学基础目标的解释结构模型图突出教学的重点、难点,使化学教材内容系统化、结构化,对教学活动的设计有很大的帮助。本文简述ISM法的内容和流程,并运用ISM法对高中化学教材中《化学平衡》这一章节进行了分析,从中体会ISM分析法的步骤和效果。旨在为化学平衡这一节的教学设计提供参考。%The correct analysis of materials is the basis of the completion of the teaching objectives. Analytical chemistry textbook of Interpretive Structural Modeling Method (ISM method), can make teaching materials more clarity. Establish interpretative structural model about teaching basic objectives, highlighting the teaching of key objectives and difficult goal, analytical chemistry textbook process, make the contents of the system more systematic and structured, which is very helpful for teachers to organize teaching activities. This paper describes ISM method content and processes, and the use of ISM method for high school chemistry textbook in the chapter “chemical balance” analyzed, from experience Steps and effects ISM Analysis. It aims to provide reference for the design of chemical equilibrium teaching activities.

  2. Functional fixedness and functional reduction as common sense reasonings in chemical equilibrium and in geometry and polarity of molecules

    Science.gov (United States)

    Furió, C.; Calatayud, M. L.; Bárcenas, S. L.; Padilla, O. M.

    2000-09-01

    Many of the learning difficulties in the specific domain of chemistry are found not only in the ideas already possessed by students but in the strategic and procedural knowledge that is characteristic of everyday thinking. These defects in procedural knowledge have been described as functional fixedness and functional reduction. This article assesses the procedural difficulties of students (grade 12 and first and third year of university) based on common sense reasoning in two areas of chemistry: chemical equilibrium and geometry and polarity of molecules. In the first area, the theme of external factors affecting equilibria (temperature and concentration change) was selected because the explanations given by the students could be analyzed easily. The existence of a functional fixedness where Le Chatelier's principle was almost exclusively applied by rote could be observed, with this being the cause of the incorrect responses given to the proposed items. Functional fixedness of the Lewis structure also led to an incorrect prediction of molecular geometry. When molecular geometry was correctly determined by the students, it seemed that other methodological or procedural difficulties appeared when the task was to determine molecular polarity. The students showed a tendency, in many cases, to reduce the factors affecting molecular polarity in two possible ways: (a) assuming that polarity depends only on shape (geometric functional reduction) or (b) assuming that molecular polarity depends only on the polarity of bonds (bonding functional reduction).

  3. The chemical equilibrium under non-ideal conditions: industrial applications; El equilibrio quimico bajo condiciones no ideales: aplicaciones industriales

    Energy Technology Data Exchange (ETDEWEB)

    Silva Martinez, Susana; Alvarez Gallegos, Alberto; Quere, Alain [Instituto de Investigaciones Electricas, Cuernavaca (Mexico)

    1993-05-01

    In this paper is described the application of a computer program to the chemical equilibrium in non-ideal conditions (aqueous solutions of multicomponent electrolytes in the ionic forces interval: 0 < 1 < 6 mol/Kg H{sub 2}O and temperatures close to 25 celsius degrees), and its importance at industrial scale. The calculation of the thermodynamic properties of the solution (activity coefficients, osmotic coefficient, and water activity) is based in one of the most modern theories of the electrolytes; the theoretical results, compared with the experimental ones have an error of 10% or better. [Espanol] En este trabajo se describe la aplicacion de un programa de computo al equilibrio quimico en condiciones no ideales (soluciones acuosas de electrolitos multicomponentes en el intervalo de fuerzas ionicas: 0 < 1 < 6 mol/Kg H{sub 2}O y temperaturas cercanas a 25 grados celsius) y su importancia a escala industrial. El calculo de las propiedades termodinamicas (coeficientes de actividad, coeficiente osmotico y actividad del agua) de la solucion, esta basado en una de las teorias mas modernas de los electrolitos; los resultados teoricos comparados con los experimentales tienen un error del 10% o mejor.

  4. ADSORPTION CHARACTERIZATION OF CO(II IONS ONTO CHEMICALLY TREATED QUERCUS COCCIFERA SHELL: EQUILIBRIUM, KINETIC AND THERMODYNAMIC STUDIES

    Directory of Open Access Journals (Sweden)

    M. Hamdi Karaoglu

    2011-04-01

    Full Text Available Quercus coccifera shell (QCS, a relatively abundant and inexpensive material, is currently being investigated as an adsorbent to remove cobalt(II from water. Before the adsorption experiments, QCS was subjected to chemical treatment to provide maximum surface area. Then, the kinetics and adsorption mechanism of Co(II ions on QCS were studied using different parameters such as adsorbent dosage, initial concentration, temperature, contact time, and solution pH. The loaded metals could be desorbed effectively with dilute hydrochloric acid, nitric acid, and 0.1 M EDTA. The Langmuir and Freundlich models were used to describe the uptake of cobalt on QCS. The equilibrium adsorption data were better fitted to Langmuir adsorption isotherm model. The maximum adsorption capacity (qm of QCS for Co(II was 33 mg g-1. Various kinetic models were used to describe the adsorption process. The adsorption followed pseudo second-order kinetic model. The intraparticle diffusion was found to be the rate-limiting step in the adsorption process. The diffusion coefficients were calculated and found to be in the range of 3.11×10−6 to 168.78×10−6 cm2s-1. The negative DH* value indicated exothermic nature of the adsorption.

  5. Prediction of the Chapman-Jouguet chemical equilibrium state in a detonation wave from first principles based reactive molecular dynamics.

    Science.gov (United States)

    Guo, Dezhou; Zybin, Sergey V; An, Qi; Goddard, William A; Huang, Fenglei

    2016-01-21

    The combustion or detonation of reacting materials at high temperature and pressure can be characterized by the Chapman-Jouguet (CJ) state that describes the chemical equilibrium of the products at the end of the reaction zone of the detonation wave for sustained detonation. This provides the critical properties and product kinetics for input to macroscale continuum simulations of energetic materials. We propose the ReaxFF Reactive Dynamics to CJ point protocol (Rx2CJ) for predicting the CJ state parameters, providing the means to predict the performance of new materials prior to synthesis and characterization, allowing the simulation based design to be done in silico. Our Rx2CJ method is based on atomistic reactive molecular dynamics (RMD) using the QM-derived ReaxFF force field. We validate this method here by predicting the CJ point and detonation products for three typical energetic materials. We find good agreement between the predicted and experimental detonation velocities, indicating that this method can reliably predict the CJ state using modest levels of computation.

  6. Chemical equilibrium of hydrogen and aqueous solutions of 1:1 bicarbonate and formate salts with a common cation

    NARCIS (Netherlands)

    Engel, D.C.; Versteeg, G.F.; Swaaij, van W.P.M.

    1997-01-01

    This was accomplished for the sodium (M = Na), potassium (M = K) and ammonium (M = NH4) systems by measuring the equilibrium composition. This reaction was allowed to proceed from both sides of the equilibrium in a suspension of Pd/C and Pd/γ-Al2O3 catalyst particles, and was carried out at 20, 40 a

  7. Allometry data and equations for coastal marsh plants.

    Science.gov (United States)

    Lu, Meng; Caplan, Joshua S; Bakker, Jonathan D; Adam Langley, J; Mozdzer, Thomas J; Drake, Bert G; Patrick Megonigal, J

    2016-12-01

    Coastal marshes are highly valued for ecosystem services such as protecting inland habitats from storms, sequestering carbon, removing nutrients and other pollutants from surface water, and providing habitat for fish, shellfish, and birds. Because plants largely determine the structure and function of coastal marshes, quantifying plant biomass is essential for evaluating these ecosystem services, understanding the biogeochemical processes that regulate ecosystem function, and forecasting tidal wetland responses to accelerated sea level rise. Allometry is a convenient and efficient technique for nondestructive estimation of plant biomass, and it is commonly used in studies of carbon and nitrogen cycles, energy flows, and marsh surface elevation change. We present plant allometry data and models developed for three long-term experiments at the Smithsonian Global Change Research Wetland, a brackish marsh in the Rhode River subestuary of the Chesapeake Bay. The dataset contains 9,771 measurements of stem height, dry mass, and (in 9638 cases) stem width across 11 plant species. The vast majority of observations are for Schoenoplectus americanus (8430) and Phragmites australis (311), with fewer observations for other common species: Amaranthus cannabinus, Atriplex patula, Iva frutescens, Kosteletzkya virginica, Polygonum hydropiper, Solidago sempervirens, Spartina alterniflora, Spartina cynosuroides, and Typha angustifolia. Allometric relationships take the form of linear regressions of biomass (transformed using the Box-Cox procedure) on either stem height and width, or on stem height alone. Allometric relationships for Schoenoplectus americanus were not meaningfully altered by elevated CO2 , N enrichment, the community context, interannual variation in climate, or year, showing that a single equation can be used across a broad range of conditions for this species. Archived files include: (1) raw data used to derive allometric equations for each species, (2) reports and

  8. Comparative allometry growth of some marine fish digenetic trematodes

    Directory of Open Access Journals (Sweden)

    A. Saad-Fares

    1992-01-01

    Full Text Available Allometric growth variation was compared for Plagioporus idoneus, Lepocreadium pegorchis, Opecoeloides furcatus, Bacciger israelensis, Aphanurus stossichi and Parahurleytrema trachinoti collected from East Mediterranean fishes. The pharynx, the oral and the ventral sucker diameters always showed a negative allometry. The other parameters tested were variable with the species. We study the effects of some environmental factors: the influence of the host species is analysed in Plagioporus idoneous, wich parasitizes Oblada melanura, Diplodus sargus and D. vulgaris and in Lepocreadium pegorchis, wich parasitizes Pagellus erythrinus, Lithognathus mormyrus and Spicara smaris; the influence of the microhabitat and the intensity of infection is analysed in Bacciger israelensis and Aphanurus stossichi, both parasites of Boops boops. We report significant differences with the host species, for the allometric growth of the testes; the effect of the microhabitat was revealed by the hindbody allometric value; no significant difference was detected in relation with the intensity of infection.

  9. Chemical Equilibrium of Aluminate in Hanford Tank Waste Originating from Tanks 241-AN-105 and 241-AP-108

    Energy Technology Data Exchange (ETDEWEB)

    McCoskey, Jacob K. [Washington River Protection Solutions LLC, Richland, WA (United States); Cooke, Gary A. [Washington River Protection Solutions LLC, Richland, WA (United States); Herting, Daniel L. [Washington River Protection Solutions LLC, Richland, WA (United States)

    2015-09-23

    The purposes of the study described in this document follow; Determine or estimate the thermodynamic equilibrium of gibbsite in contact with two real tank waste supernatant liquids through both dissolution of gibbsite (bottom-up approach) and precipitation of aluminum-bearing solids (top-down approach); determine or estimate the thermodynamic equilibrium of a mixture of gibbsite and real tank waste saltcake in contact with real tank waste supernatant liquid through both dissolution of gibbsite and precipitation of aluminum-bearing solids; and characterize the solids present after equilibrium and precipitation of aluminum-bearing solids.

  10. Phase equilibrium engineering

    CERN Document Server

    Brignole, Esteban Alberto

    2013-01-01

    Traditionally, the teaching of phase equilibria emphasizes the relationships between the thermodynamic variables of each phase in equilibrium rather than its engineering applications. This book changes the focus from the use of thermodynamics relationships to compute phase equilibria to the design and control of the phase conditions that a process needs. Phase Equilibrium Engineering presents a systematic study and application of phase equilibrium tools to the development of chemical processes. The thermodynamic modeling of mixtures for process development, synthesis, simulation, design and

  11. Using the chemical equilibrium partitioning space to explore factors influencing the phase distribution of compounds involved in secondary organic aerosol formation

    OpenAIRE

    F. Wania; Lei, Y. D.; Wang, C.; Abbatt, J. P. D.; Goss, K.-U.

    2015-01-01

    Many atmospheric and chemical variables influence the partitioning equilibrium between gas phase and condensed phases of compounds implicated in the formation of secondary organic aerosol (SOA). The large number of factors and their interaction makes it often difficult to assess their relative importance and concerted impact. Here we introduce a two-dimensional space which maps regions of dominant atmospheric phase distribution within a coordinate system defined by equilibri...

  12. Using the chemical equilibrium partitioning space to explore factors influencing the phase distribution of compounds involved in secondary organic aerosol formation

    OpenAIRE

    F. Wania; Lei, Y. D.; Wang, C.; Abbatt, J. P. D.; K.-U. Goss

    2014-01-01

    Many atmospheric and chemical variables influence the partitioning equilibrium between gas phase and condensed phases of compounds implicated in the formation of secondary organic aerosol (SOA). The large number of factors and their interaction makes it often difficult to assess their relative importance and concerted impact. Here we introduce a two-dimensional space, which maps regions of dominant atmospheric phase distribution within a coordinate system de...

  13. The effects of using screencasting as a multimedia pre-training tool to manage the intrinsic cognitive load of chemical equilibrium instruction for advanced high school chemistry students

    Science.gov (United States)

    Musallam, Ramsey

    Chemistry is a complex knowledge domain. Specifically, research notes that Chemical Equilibrium presents greater cognitive challenges than other topics in chemistry. Cognitive Load Theory describes the impact a subject, and the learning environment, have on working memory. Intrinsic load is the facet of Cognitive Load Theory that explains the complexity innate to complex subjects. The purpose of this study was to build on the limited research into intrinsic cognitive load, by examining the effects of using multimedia screencasts as a pre-training technique to manage the intrinsic cognitive load of chemical equilibrium instruction for advanced high school chemistry students. A convenience sample of 62 fourth-year high school students enrolled in an advanced chemistry course from a co-ed high school in urban San Francisco were given a chemical equilibrium concept pre-test. Upon conclusion of the pre-test, students were randomly assigned to two groups: pre-training and no pre-training. The pre-training group received a 10 minute and 52 second pre-training screencast that provided definitions, concepts and an overview of chemical equilibrium. After pre-training both group received the same 50-minute instructional lecture. After instruction, all students were given a chemical equilibrium concept post-test. Independent sample t-tests were conducted to examine differences in performance and intrinsic load. No significant differences in performance or intrinsic load, as measured by ratings of mental effort, were observed on the pre-test. Significant differences in performance, t(60)=3.70, p=.0005, and intrinsic load, t(60)=5.34, p=.0001, were observed on the post-test. A significant correlation between total performance scores and total mental effort ratings was also observed, r(60)=-0.44, p=.0003. Because no significant differences in prior knowledge were observed, it can be concluded that pre-training was successful at reducing intrinsic load. Moreover, a significant

  14. Equilibrium sampling of environmental pollutants in fish: Comparison with lipid- normalized concentrations and homogenization effects on chemical activity

    DEFF Research Database (Denmark)

    Jahnke, Annika; Mayer, Philipp; Adolfsson-Erici, Margaretha;

    2011-01-01

    in the homogenates (statistically significant in 18 of 21 cases, ppartition coefficients determined using tissue......Equilibrium sampling of organic pollutants into the silicone polydimethylsiloxane (PDMS) has recently been applied in biological tissues including fish. Pollutant concentrations in PDMS can then be multiplied with lipid/PDMS distribution coefficients (DLipid,PDMS) to obtain concentrations in fish...

  15. Applications of non-equilibrium plasma in chemical processes; Aplicaciones de plasmas de no-equilibrio en procesos quimicos

    Energy Technology Data Exchange (ETDEWEB)

    Patino, P.; Castro, A. [Escuela de Quimica, Facultad de Ciencias, Universidad Central de Venezuela, P.O. Box 47102, Caracas 1041A (Venezuela)]. e-mail: ppatino@strix.ciens.ucv.ve

    2003-07-01

    By means of optical emission spectroscopy the population of O({sup 3}P) in a non-equilibrium, high voltage, oxygen plasma, and O({sup 3}P), H and OH in another of steam in radio frequency, have been followed. Reactions of both plasmas with liquid hydrocarbons have produced oxidation and/or hydrogenation, depending on the conditions of each one. (Author)

  16. Computer Program for Calculation of Complex Chemical Equilibrium Compositions and Applications II. Users Manual and Program Description. 2; Users Manual and Program Description

    Science.gov (United States)

    McBride, Bonnie J.; Gordon, Sanford

    1996-01-01

    This users manual is the second part of a two-part report describing the NASA Lewis CEA (Chemical Equilibrium with Applications) program. The program obtains chemical equilibrium compositions of complex mixtures with applications to several types of problems. The topics presented in this manual are: (1) details for preparing input data sets; (2) a description of output tables for various types of problems; (3) the overall modular organization of the program with information on how to make modifications; (4) a description of the function of each subroutine; (5) error messages and their significance; and (6) a number of examples that illustrate various types of problems handled by CEA and that cover many of the options available in both input and output. Seven appendixes give information on the thermodynamic and thermal transport data used in CEA; some information on common variables used in or generated by the equilibrium module; and output tables for 14 example problems. The CEA program was written in ANSI standard FORTRAN 77. CEA should work on any system with sufficient storage. There are about 6300 lines in the source code, which uses about 225 kilobytes of memory. The compiled program takes about 975 kilobytes.

  17. Brain evolution and development: adaptation, allometry and constraint

    Science.gov (United States)

    Barton, Robert A.

    2016-01-01

    Phenotypic traits are products of two processes: evolution and development. But how do these processes combine to produce integrated phenotypes? Comparative studies identify consistent patterns of covariation, or allometries, between brain and body size, and between brain components, indicating the presence of significant constraints limiting independent evolution of separate parts. These constraints are poorly understood, but in principle could be either developmental or functional. The developmental constraints hypothesis suggests that individual components (brain and body size, or individual brain components) tend to evolve together because natural selection operates on relatively simple developmental mechanisms that affect the growth of all parts in a concerted manner. The functional constraints hypothesis suggests that correlated change reflects the action of selection on distributed functional systems connecting the different sub-components, predicting more complex patterns of mosaic change at the level of the functional systems and more complex genetic and developmental mechanisms. These hypotheses are not mutually exclusive but make different predictions. We review recent genetic and neurodevelopmental evidence, concluding that functional rather than developmental constraints are the main cause of the observed patterns. PMID:27629025

  18. Allometry of sexual size dimorphism in domestic dog.

    Directory of Open Access Journals (Sweden)

    Daniel Frynta

    Full Text Available BACKGROUND: The tendency for male-larger sexual size dimorphism (SSD to scale with body size - a pattern termed Rensch's rule - has been empirically supported in many animal lineages. Nevertheless, its theoretical elucidation is a subject of debate. Here, we exploited the extreme morphological variability of domestic dog (Canis familiaris to gain insights into evolutionary causes of this rule. METHODOLOGY/PRINCIPAL FINDINGS: We studied SSD and its allometry among 74 breeds ranging in height from less than 19 cm in Chihuahua to about 84 cm in Irish wolfhound. In total, the dataset included 6,221 individuals. We demonstrate that most dog breeds are male-larger, and SSD in large breeds is comparable to SSD of their wolf ancestor. Among breeds, SSD becomes smaller with decreasing body size. The smallest breeds are nearly monomorphic. CONCLUSIONS/SIGNIFICANCE: SSD among dog breeds follows the pattern consistent with Rensch's rule. The variability of body size and corresponding changes in SSD among breeds of a domestic animal shaped by artificial selection can help to better understand processes leading to emergence of Rensch's rule.

  19. Male mate choice scales female ornament allometry in a cichlid fish

    Directory of Open Access Journals (Sweden)

    Kullmann Harald

    2010-10-01

    Full Text Available Abstract Background Studies addressing the adaptive significance of female ornamentation have gained ground recently. However, the expression of female ornaments in relation to body size, known as trait allometry, still remains unexplored. Here, we investigated the allometry of a conspicuous female ornament in Pelvicachromis taeniatus, a biparental cichlid that shows mutual mate choice and ornamentation. Females feature an eye-catching pelvic fin greatly differing from that of males. Results We show that allometry of the female pelvic fin is scaled more positively in comparison to other fins. The pelvic fin exhibits isometry, whereas the other fins (except the caudal fin show negative allometry. The size of the pelvic fin might be exaggerated by male choice because males prefer female stimuli that show a larger extension of the trait. Female pelvic fin size is correlated with individual condition, suggesting that males can assess direct and indirect benefits. Conclusions The absence of positive ornament allometry might be a result of sexual selection constricted by natural selection: fins are related to locomotion and thus may be subject to viability selection. Our study provides evidence that male mate choice might scale the expression of a female sexual ornament, and therefore has implications for the understanding of the relationship of female sexual traits with body size in species with conventional sex-roles.

  20. Deciduous and evergreen trees differ in juvenile biomass allometries because of differences in allocation to root storage

    NARCIS (Netherlands)

    Tomlinson, K.W.; Langevelde, van F.; Ward, D.; Bongers, F.J.J.M.; Alves da Silva, D.; Prins, H.H.T.; Bie, de S.; Sterck, F.J.

    2013-01-01

    Background and Aims - Biomass partitioning for resource conservation might affect plant allometry, accounting for a substantial amount of unexplained variation in existing plant allometry models. One means of resource conservation is through direct allocation to storage in particular organs. In this

  1. GENERAL EQUILIBRIUM

    Directory of Open Access Journals (Sweden)

    Monique Florenzano

    2008-09-01

    Full Text Available General equilibrium is a central concept of economic theory. Unlike partial equilibrium analysis which study the equilibrium of a particular market under the clause “ceteris paribus” that revenues and prices on the other markets stay approximately unaffected, the ambition of a general equilibrium model is to analyze the simultaneous equilibrium in all markets of a competitive economy. Definition of the abstract model, some of its basic results and insights are presented. The important issues of uniqueness and local uniqueness of equilibrium are sketched; they are the condition for a predictive power of the theory and its ability to allow for statics comparisons. Finally, we review the main extensions of the general equilibrium model. Besides the natural extensions to infinitely many commodities and to a continuum of agents, some examples show how economic theory can accommodate the main ideas in order to study some contexts which were not thought of by the initial model

  2. Computational non-chemically equilibrium model on the current zero simulation in a model N2 circuit breaker under the free recovery condition

    Science.gov (United States)

    Sun, Hao; Tanaka, Yasunori; Tomita, Kentaro; Wu, Yi; Rong, Mingzhe; Uesugi, Yoshihiko; Ishijima, Tatsuo

    2016-02-01

    A non-chemically equilibrium (non-CE) model was established to investigate the N2 arc plasma in the decaying phase during the arc interruption, and was validated by comparison with the experimental results based on laser Thomson scattering. Unlike the conventional model assuming the local thermodynamic equilibrium (LTE), in this non-CE model, the magneto-hydro-dynamics (MHD) method was coupled with the reaction kinetics to obtain the time-dependent species compositions and properties. The current calculation took into account five species in hot gas and 22 chemical reactions in total. The time-dependent species compositions of hot N2 were derived from the mass conservation equation for each species, considering the effect of the convection, diffusion and the chemical reaction. The influence of the non-CE compositions on the arc decaying behavior was realized by updating the thermodynamic and transport properties at each iterative step. The results indicate that the non-CE model can result in the departure of the arc decaying behavior from the LTE model, because it alters the time evolution of the species composition and consequently changes the thermodynamic and transport properties. At the edge of the arc, the time evolutions of the species are dominant by both the diffusion and the chemical reactions while at the center of the arc they are mainly influenced by the chemical reactions. Generally, the non-CE effect can lead to the delay of all the particles’ variations, particularly the electron decay, so that the arc interruption performance will be reduced compared with that in the LTE model.

  3. Height-diameter allometry of tropical forest trees

    Directory of Open Access Journals (Sweden)

    T. R. Feldpausch

    2010-10-01

    Full Text Available Tropical tree height-diameter (H:D relationships may vary by forest type and region making large-scale estimates of above-ground biomass subject to bias if they ignore these differences in stem allometry. We have therefore developed a new global tropical forest database consisting of 39 955 concurrent H and D measurements encompassing 283 sites in 22 tropical countries. Utilising this database, our objectives were:

      1. to determine if H:D relationships differ by geographic region and forest type (wet to dry forests, including zones of tension where forest and savanna overlap.

      2. to ascertain if the H:D relationship is modulated by climate and/or forest structural characteristics (e.g. stand-level basal area, A.

      3. to develop H:D allometric equations and evaluate biases to reduce error in future local-to-global estimates of tropical forest biomass.

    Annual precipitation coefficient of variation (PV, dry season length (SD, and mean annual air temperature (TA emerged as key drivers of variation in H:D relationships at the pantropical and region scales. Vegetation structure also played a role with trees in forests of a high A being, on average, taller at any given D. After the effects of environment and forest structure are taken into account, two main regional groups can be identified. Forests in Asia, Africa and the Guyana Shield all have, on average, similar H:D relationships, but with trees in the forests of much of the Amazon Basin and tropical Australia typically being shorter at any given D than their counterparts elsewhere.

    The region-environment-structure model with the lowest Akaike's information criterion and lowest deviation estimated stand-level H across all plots to within a median –2.7 to 0.9% of the true value. Some of the plot

  4. Height-diameter allometry of tropical forest trees

    Directory of Open Access Journals (Sweden)

    T. R. Feldpausch

    2011-05-01

    Full Text Available Tropical tree height-diameter (H:D relationships may vary by forest type and region making large-scale estimates of above-ground biomass subject to bias if they ignore these differences in stem allometry. We have therefore developed a new global tropical forest database consisting of 39 955 concurrent H and D measurements encompassing 283 sites in 22 tropical countries. Utilising this database, our objectives were:

    1. to determine if H:D relationships differ by geographic region and forest type (wet to dry forests, including zones of tension where forest and savanna overlap.

    2. to ascertain if the H:D relationship is modulated by climate and/or forest structural characteristics (e.g. stand-level basal area, A.

    3. to develop H:D allometric equations and evaluate biases to reduce error in future local-to-global estimates of tropical forest biomass.

    Annual precipitation coefficient of variation (PV, dry season length (SD, and mean annual air temperature (TA emerged as key drivers of variation in H:D relationships at the pantropical and region scales. Vegetation structure also played a role with trees in forests of a high A being, on average, taller at any given D. After the effects of environment and forest structure are taken into account, two main regional groups can be identified. Forests in Asia, Africa and the Guyana Shield all have, on average, similar H:D relationships, but with trees in the forests of much of the Amazon Basin and tropical Australia typically being shorter at any given D than their counterparts elsewhere. The region-environment-structure model with the lowest Akaike's information criterion and lowest deviation estimated stand-level H across all plots to within amedian −2.7 to 0.9% of the true value. Some of the plot-to-plot variability in

  5. BAAD: a Biomass And Allometry Database for woody plants

    Energy Technology Data Exchange (ETDEWEB)

    Falster, Daniel; Duursma, Remko; Ishihara, Masae; Barneche, Diego; Fitzjohn, Richard; Varhammar, Angelica; Aiba, Masahiro; Ando, M.; Anten, Niels; Aspinwall, Michael J.; Baltzer, Jennifer; Baraloto, Christopher; Battaglia, Michael; Battles, John; Bond-Lamberty, Benjamin; van Breugel, Michiel; Camac, James; Claveau, Yves; Coll Mir, Llus; Dannoura, Dannoura; Delagrange, Sylvain; Domec, Jean-Cristophe; Fatemi, Farrah; Feng, Wang; Gargaglione, Veronica; Goto, Yoshiaki; Hagihara, Akio; Hall, Jefferson S.; Hamilton, Steve; Harja, Degi; Hiura, Tsutom; Holdaway, Robert; Hutley, L. B.; Ichie, Tomoaki; Jokela, Eric; Kantola, Anu; Kelly, Jeffery W.; Kenzo, Tanaka; King, David A.; Kloeppel, Brian; Kohyama, Takashi; Komiyama, Akira; Laclau, Jean-Paul; Lusk, Christopher; Maguire, Doug; le Maire, Guerric; Makela, Annikki; Markesteijn, Lars; Marshall, John; McCulloh, Kate; Miyata, Itsuo; Mokany, Karen; Mori, Shigeta; Myster, Randall; Nagano, Masahiro; Naidu, Shawna; Nouvellon, Yann; O' Grady, Anthony; O' Hara, Kevin; Ohtsuka, Toshiyuki; Osada, Noriyuki; Osunkoya, Olusegun O.; Luis Peri, Pablo; Petritan, Mary; Poorter, Lourens; Portsmuth, Angelika; Potvin, Catherine; Ransijn, Johannes; Reid, Douglas; Ribeiro, Sabina C.; Roberts, Scott; Rodriguez, Rolando; Saldana-Acosta, Angela; Santa-Regina, Ignacio; Sasa, Kaichiro; Gailia Selaya, Nadezhda; Sillett, Stephen; Sterck, Frank; Takagi, Kentaro; Tange, Takeshi; Tanouchi, Hiroyuki; Tissue, David; Umehara, Tohru; Utsugi, Hajime; Vadeboncoeur, Matthew; Valladares, Fernando; Vanninen, Petteri; Wang, Jian; Wenk, Elizabeth; Williams, Dick; Ximenes, Fabiano de Aquino; Yamaba, Atsushi; Yamada, Toshihiro; Yamakura, Takuo; Yanai, Ruth; York, Robert

    2015-05-07

    Quantifying the amount of mass or energy invested in plant tissues is of fundamental interest across a range of disciplines, including ecology, forestry, ecosystem science, and climate change science (Niklas, 1994; Chave et al. 2005; Falster et al. 2011). The allocation of net primary production into different plant components is an important process affecting the lifetime of carbon in ecosystems, and resource use and productivity by plants (Cannell & Dewar, 1994; Litton et al. 2007; Poorter et al. 2012). While many studies in have destructively harvested woody plants in the name of science, most of these data have only been made available in the form of summary tables or figures included in publications. Until now, the raw data has resided piecemeal on the hard drives of individual scientists spread around the world. Several studies have gathered together the fitted (allometric) equations for separate datasets (Ter-Mikaelian & Korzukhin, 1997; Jenkins et al. 2003; Zianis et al. 2005; Henry et al. 2013), but none have previously attempted to organize and share the raw individual plant data underpinning these equations on a large scale. Gathered together, such data would represent an important resource for the community, meeting a widely recognised need for rich, open data resources to solve ecological problems (Costello et al. 2013; Fady et al. 2014; Harfoot & Roberts, 2014; Costello et al. 2013). We (D.S. Falster and R.A. Duursma, with the help of D.R. Barneche, R.G. FitzJohn and A. Vårhammar) set out to create such a resource, by asking authors directly whether they would be willing to make their raw data files freely available. The response was overwhelming: nearly everyone we contacted was interested to contribute their raw data. Moreover, we were invited to incorporate another compilation led by M. Ishihara and focussing on Japanese literature. As a result, we present BAAD: a Biomass And Allometry Database for woody plants, comprising data collected in 174

  6. Equilibrium statistical mechanics

    CERN Document Server

    Mayer, J E

    1968-01-01

    The International Encyclopedia of Physical Chemistry and Chemical Physics, Volume 1: Equilibrium Statistical Mechanics covers the fundamental principles and the development of theoretical aspects of equilibrium statistical mechanics. Statistical mechanical is the study of the connection between the macroscopic behavior of bulk matter and the microscopic properties of its constituent atoms and molecules. This book contains eight chapters, and begins with a presentation of the master equation used for the calculation of the fundamental thermodynamic functions. The succeeding chapters highlight t

  7. 平衡电负性与烷烃核磁共振碳谱位移%EQUILIBRIUM ELECTRONEGATIVITY AND 13C NMR CHEMICAL SHIFTS OF ALKANES

    Institute of Scientific and Technical Information of China (English)

    聂长明; 文松年

    2001-01-01

    In this paper, the atomic equilibrium electronegativity in a molecule has been defined and the model of 13C NMR chemical shifts of alkanes has been studied with the atomic equilibrium electronegativity and the structural information parameters NiH(i=0,α,β,γ) and NjC(j=α,β,γ). The results indicate that the 13C NMR chemical shifts of alkanes can be described as follows: CS=-1736.776+755.118AEE+5.2539N0H+1.8837NβH-0.2066NγH By the use of the formula the chemical shifts of 99 carbon atoms are predicated, and the standard error is only 0.9861ppm. The average absolute error is 0.78ppm, The calculated values conform very much to the observed values.%定义了烷烃分子中碳原子的平衡电负性(AEE),用平衡电负性和NiH(i=0,α,β,γ)和NjC(j=α,β,γ)结构信息参数研究了烷烃的13C NMR化学位移模型.结果表明,烷烃13C NMR化学位移(CS)可用下式来定量描述: CS=-1736.776+755.118AEE+5.2539N0H+1.8837NβH-0.2066NγH   用上式估算了99个碳原子的化学位移,标准差为0.9861ppm,平均绝对误差0.78ppm,预测值与实验值十分吻合.

  8. Linear Response Equilibrium versus echo-planar encoding for fast high-spatial resolution 3D chemical shift imaging

    Science.gov (United States)

    Fischer, Rudolf Fritz; Baltes, Christof; Weiss, Kilian; Pazhenkottil, Aju; Rudin, Markus; Boesiger, Peter; Kozerke, Sebastian

    2011-07-01

    In this work Linear Response Equilibrium (LRE) and Echo-planar spectroscopic imaging (EPSI) are compared in terms of sensitivity per unit time and power deposition. In addition an extended dual repetition time scheme to generate broad stopbands for improved inherent water suppression in LRE is presented. The feasibility of LRE and EPSI for assessing cholesterol esters in human carotid plaques with high spatial resolution of 1.95 × 1.15 × 1.15 mm 3 on a clinical 3T MR system is demonstrated. In simulations and phantom experiments it is shown that LRE has comparable but lower sensitivity per unit time relative to EPSI despite stronger signal generated. This relates to the lower sampling efficiency in LRE relative to EPSI as a result of limited gradient performance on clinical MR systems. At the same time, power deposition of LRE is significantly reduced compared to EPSI making it an interesting niche application for in vivo high field spectroscopic imaging of metabolites within a limited bandwidth.

  9. An upwind, kinetic flux-vector splitting method for flows in chemical and thermal non-equilibrium

    Science.gov (United States)

    Eppard, W. M.; Grossman, B.

    1993-01-01

    We have developed new upwind kinetic difference schemes for flows with non-equilibrium thermodynamics and chemistry. These schemes are derived from the Boltzmann equation with the resulting Euler schemes developed as moments of the discretized Boltzmann scheme with a locally Maxwellian velocity distribution. Splitting the velocity distribution at the Boltzmann level is seen to result in a flux-split Euler scheme and is called Kinetic Flux Vector Splitting (KFVS). Extensions to flows with finite-rate chemistry and vibrational relaxation is accomplished utilizing nonequilibrium kinetic theory. Computational examples are presented comparing KFVS with the schemes of Van Leer and Roe for a quasi-one-dimensional flow through a supersonic diffuser, inviscid flow through two-dimensional inlet, and viscous flow over a cone at zero angle-of-attack. Calculations are also shown for the transonic flow over a bump in a channel and the transonic flow over an NACA 0012 airfoil. The results show that even though the KFVS scheme is a Riemann solver at the kinetic level, its behavior at the Euler level is more similar to the existing flux-vector splitting algorithms than to the flux-difference splitting scheme of Roe.

  10. Steepest-entropy-ascent quantum thermodynamic framework for describing the non-equilibrium behavior of a chemically reactive system at an atomistic level

    CERN Document Server

    Beretta, Gian Paolo

    2015-01-01

    Steepest-Entropy-Ascent Quantum Thermodynamics (SEAQT) provides a general framework for the description of non-equilibrium phenomena at any level, particularly the atomistic one. This theory and its dynamical postulate are used here to develop a general mathematical framework, which at an atomistic level, in particular, can be used to predict the non-equilibrium evolution in state of a closed, chemically reactive mixture such as the one examined here, i.e., a mixture of hydrogen (H2) and flourine (F) contained in an isolated tank of fixed volume. The general framework provided, however, is written for a reactive system subject to multiple reaction mechanisms. To predict this evolution in state, both the energy and particle number eigenvalue problems for a dilute gas are set up and solved analytically. Wall and non-ideal-gas behavior effects are neglected, although the extension to dense gases is straightforward but left for a future paper. The system-level energy and particle number eigenvalues and eigenstate...

  11. Improving the reliability of aquatic toxicity testing of hydrophobic chemicals via equilibrium passive dosing - A multiple trophic level case study on bromochlorophene.

    Science.gov (United States)

    Stibany, Felix; Ewald, Franziska; Miller, Ina; Hollert, Henner; Schäffer, Andreas

    2017-01-28

    The main objective of the present study was to improve the reliability and practicability of aquatic toxicity testing of hydrophobic chemicals based upon the model substance bromochlorophene (BCP). Therefore, we adapted a passive dosing format to test the toxicity of BCP at different concentrations and in multiple test systems with aquatic organisms of various trophic levels. At the same time, the method allowed for the accurate determination of exposure concentrations (i.e., in the presence of exposed organisms; Ctest) and freely dissolved concentrations (i.e., without organisms present; Cfree) of BCP in all tested media. We report on the joint adaptation of three ecotoxicity tests - algal growth inhibition, Daphnia magna immobilization, and fish-embryo toxicity - to a silicone O-ring based equilibrium passive dosing format. Effect concentrations derived by passive dosing methods were compared with corresponding effect concentrations derived by standard co-solvent setups. The passive dosing format led to EC50-values in the lower μgL(-1) range for algae, daphnids, and fish embryos, whereas increased effect concentrations were measured in the co-solvent setups for algae and daphnids. This effect once more shows that passive dosing might offer advantages over standard methods like co-solvent setups when it comes to a reliable risk assessment of hydrophobic substances. The presented passive dosing setup offers a facilitated, practical, and repeatable way to test hydrophobic chemicals on their toxicity to aquatic organisms, and is an ideal basis for the detailed investigation of this important group of chemicals.

  12. A method of calculating of the thermodynamic properties and the composition of the explosion products of hydrocarbons and air under partial chemical equilibrium

    Science.gov (United States)

    Shargatov, V. A.

    2016-11-01

    We examined the approximate method to calculate composition and thermodynamic parameters of hydrocarbons-air nonequilibrium explosion products based on the assumption of the existence of a partial chemical equilibrium. With excellent accuracy of calculating thermodynamic properties and species mass fraction the respective stiff system of detailed kinetics differential equations can be replaced by the one differential equation or the two differential equations and a system of algebraic equations. This method is always consistent with the detailed kinetic mechanism. The constituent equations of the method were derived and the respective computer code written. We examine the applicability of the method by solving the test problem. The proposed method simulation results are in excellent agreement with the detailed kinetics model results corresponding the stiff ordinary differential equation solver including NO time histories.

  13. Noise-induced modulation of the relaxation kinetics around a non-equilibrium steady state of non-linear chemical reaction networks.

    Science.gov (United States)

    Ramaswamy, Rajesh; Sbalzarini, Ivo F; González-Segredo, Nélido

    2011-01-28

    Stochastic effects from correlated noise non-trivially modulate the kinetics of non-linear chemical reaction networks. This is especially important in systems where reactions are confined to small volumes and reactants are delivered in bursts. We characterise how the two noise sources confinement and burst modulate the relaxation kinetics of a non-linear reaction network around a non-equilibrium steady state. We find that the lifetimes of species change with burst input and confinement. Confinement increases the lifetimes of all species that are involved in any non-linear reaction as a reactant. Burst monotonically increases or decreases lifetimes. Competition between burst-induced and confinement-induced modulation may hence lead to a non-monotonic modulation. We quantify lifetime as the integral of the time autocorrelation function (ACF) of concentration fluctuations around a non-equilibrium steady state of the reaction network. Furthermore, we look at the first and second derivatives of the ACF, each of which is affected in opposite ways by burst and confinement. This allows discriminating between these two noise sources. We analytically derive the ACF from the linear Fokker-Planck approximation of the chemical master equation in order to establish a baseline for the burst-induced modulation at low confinement. Effects of higher confinement are then studied using a partial-propensity stochastic simulation algorithm. The results presented here may help understand the mechanisms that deviate stochastic kinetics from its deterministic counterpart. In addition, they may be instrumental when using fluorescence-lifetime imaging microscopy (FLIM) or fluorescence-correlation spectroscopy (FCS) to measure confinement and burst in systems with known reaction rates, or, alternatively, to correct for the effects of confinement and burst when experimentally measuring reaction rates.

  14. The development of flux-split algorithms for flows with non-equilibrium thermodynamics and chemical reactions

    Science.gov (United States)

    Grossman, B.; Cinella, P.

    1988-01-01

    A finite-volume method for the numerical computation of flows with nonequilibrium thermodynamics and chemistry is presented. A thermodynamic model is described which simplifies the coupling between the chemistry and thermodynamics and also results in the retention of the homogeneity property of the Euler equations (including all the species continuity and vibrational energy conservation equations). Flux-splitting procedures are developed for the fully coupled equations involving fluid dynamics, chemical production and thermodynamic relaxation processes. New forms of flux-vector split and flux-difference split algorithms are embodied in a fully coupled, implicit, large-block structure, including all the species conservation and energy production equations. Several numerical examples are presented, including high-temperature shock tube and nozzle flows. The methodology is compared to other existing techniques, including spectral and central-differenced procedures, and favorable comparisons are shown regarding accuracy, shock-capturing and convergence rates.

  15. Ion Exchange Equilibrium and Kinetic Properties of Polyacrylate Films and Applications to Chemical Analysis and Environmental Decontamination

    Science.gov (United States)

    Tanner, Stephen P.

    1997-01-01

    One of the goals of the original proposal was to study how cross-linking affects the properties of an ion exchange material(IEM) developed at Lewis Research Center. However, prior to the start of this work, other workers at LERC investigated the effect of cross-linking on the properties of this material. Other than variation in the ion exchange capacity, the chemical characteristics were shown to be independent of the cross-linking agent, and the degree of cross-linking. New physical forms of the film were developed (film, supported film, various sizes of beads, and powder). All showed similar properties with respect to ion exchange equilibria but the kinetics of ion exchange depended on the surface area per unit mass; the powder form of the IEM exchanging much more rapidly than the other forms. The research performed under this grant was directed towards the application of the IEM to the analysis of metal ions at environmental concentrations.

  16. Uptake of gaseous formaldehyde by soil surfaces: a combination of adsorption/desorption equilibrium and chemical reactions

    Science.gov (United States)

    Li, Guo; Su, Hang; Li, Xin; Kuhn, Uwe; Meusel, Hannah; Hoffmann, Thorsten; Ammann, Markus; Pöschl, Ulrich; Shao, Min; Cheng, Yafang

    2016-08-01

    Gaseous formaldehyde (HCHO) is an important precursor of OH radicals and a key intermediate molecule in the oxidation of atmospheric volatile organic compounds (VOCs). Budget analyses reveal large discrepancies between modeled and observed HCHO concentrations in the atmosphere. Here, we investigate the interactions of gaseous HCHO with soil surfaces through coated-wall flow tube experiments applying atmospherically relevant HCHO concentrations of ˜ 10 to 40 ppbv. For the determination of uptake coefficients (γ), we provide a Matlab code to account for the diffusion correction under laminar flow conditions. Under dry conditions (relative humidity = 0 %), an initial γ of (1.1 ± 0.05) × 10-4 is determined, which gradually drops to (5.5 ± 0.4) × 10-5 after 8 h experiments. Experiments under wet conditions show a smaller γ that drops faster over time until reaching a plateau. The drop of γ with increasing relative humidity as well as the drop over time can be explained by the adsorption theory in which high surface coverage leads to a reduced uptake rate. The fact that γ stabilizes at a non-zero plateau suggests the involvement of irreversible chemical reactions. Further back-flushing experiments show that two-thirds of the adsorbed HCHO can be re-emitted into the gas phase while the residual is retained by the soil. This partial reversibility confirms that HCHO uptake by soil is a complex process involving both adsorption/desorption and chemical reactions which must be considered in trace gas exchange (emission or deposition) at the atmosphere-soil interface. Our results suggest that soil and soil-derived airborne particles can either act as a source or a sink for HCHO, depending on ambient conditions and HCHO concentrations.

  17. Aboveground dendromass allometry of hybrid black poplars for energy crops

    Directory of Open Access Journals (Sweden)

    Tatiana Stankova

    2016-06-01

    Full Text Available Cultivation of energy crops is concerned with estimation of the total lignified biomass (dendromass production, which is based on the plantation density and individual plant dendromass. The main objective of this study was to investigate the allometry of aboveground leafless biomass of juvenile black poplar hybrids (Populus deltoides x P. nigra , traditionally used for timber and cellulose production, and to derive generic allometric models for dendromass prediction, relevant to energy crop cultivation in Bulgaria. The study material comprised a variety of growth sites, tree ages and clones, specific to poplar plantings in Bulgaria. We used three principal quantitative predictors: diameter at breast height, total tree height and mean stand (stock height. The models were not differentiated by clone, because the black poplar hybrids tested were not equally represented in the data, and the inclusion of tree age as a predictor variable seemed unreliable, because of the significant, up to 3 years, variation, which was possible within the narrow age range investigated. We defined the mean stand (stock height as a composite quantitative variable, which reflected the interaction between the time since planting (age, site quality and the intrinsic growth potential. Stepwise and backward multiple regression analyses were applied to these quantitative variables and their products and sets of adequacy and goodnessof-fit criteria were used to derive individual biomass models for stem and branches. Then we developed compatible additive systems of models for stem, branch and total lignified biomass in log-transformed form. Finally, the prediction data were back-transformed, applying correction for bias, and were cross-validated. Three systems of generic equations were derived to enable flexible model implementation. Equation system M1 proposes a stem biomass model based on tree and stand heights and stem diameter, and a model for

  18. Enhancing adsorption capacity of toxic malachite green dye through chemically modified breadnut peel: equilibrium, thermodynamics, kinetics and regeneration studies.

    Science.gov (United States)

    Chieng, Hei Ing; Lim, Linda B L; Priyantha, Namal

    2015-01-01

    Breadnut skin, in both its unmodified (KS) and base-modified (BM-KS) forms, was investigated for its potential use as a low-cost adsorbent for the removal of toxic dye, malachite green (MG). Characterization of the adsorbents was carried out using scanning electron microscope, X-ray fluorescence and Fourier transform infra-red spectroscopy. Batch adsorption experiments, carried out under optimized conditions, for the adsorption of MG were fitted using five isotherm models (Langmuir, Freundlich, Dubinin-Radushkevich, Temkin and Sips) and six error functions to determine the best-fit model. The adsorption capacity was greatly enhanced when breadnut skin was chemically modified with NaOH, leading to an adsorption capacity of 353.0 mg g(-1), that was far superior to most reported adsorbents for the removal of MG. Thermodynamics studies indicated that the adsorption of MG was spontaneous on KS and BM-KS, and the reactions were endothermic and exothermic, respectively. Kinetics studies showed that both followed the pseudo-second order. Regeneration experiments on BM-KS indicated that its adsorption capacity was still maintained at>90% even after five cycles. It can be concluded that NaOH-modified breadfruit skin has great potential to be utilized in real-life application as a low-cost adsorbent for the removal of MG in wastewater treatment.

  19. Volume term of work of critical nucleus formation in terms of chemical potential difference relative to equilibrium one

    CERN Document Server

    Mori, Atsushi

    2013-01-01

    The work of formation of a critical nucleus is sometimes written as W=n{\\Delta}{\\mu}+{\\gamma}A. The first term W_{vol}=n{\\Delta}{\\mu} is called the volume term and the second term {\\gamma}A the surface term with {\\gamma} being the interfacial tension and A the area of the nucleus. Nishioka and Kusaka [J. Chem. Phys. 96 (1992) 5370] derived W_{vol}=n{\\Delta}{\\mu} with n=V_{\\beta}/v_{\\beta} and {\\Delta}{\\mu}={\\mu}_{\\beta}(T,p_{\\alpha})-{\\mu}_{\\alpha}(T,p_{\\alpha}) by rewriting W_{vol}=-(p_{\\beta}-p_{\\alpha})V_{\\beta} by integrating the isothermal Gibbs-Duhem relation for an incompressible {\\beta} phase, where {\\alpha} and {\\beta} represent the parent and nucleating phases, V_{\\beta} is the volume of the nucleus, v_{\\beta}, which is constant, the molecular volume of the {\\beta} phase, {\\mu}, T, and p denote the chemical potential, the temperature, and the pressure, respectively. We note here that {\\Delta}{\\mu}={\\mu}_{\\beta}(T,p_{\\alpha})-{\\mu}_{\\alpha}(T,p_{\\alpha}) is, in general, not a directly measurable quan...

  20. Effects of biophysical constraints, climate and phylogeny on forest shrub allometries along an altitudinal gradient in Northeast China

    Science.gov (United States)

    Sun, Han; Wang, Xiangping; Fan, Yanwen; Liu, Chao; Wu, Peng; Li, Qiaoyan; Yin, Weilun

    2017-01-01

    Whether there is a general allometry law across plant species with different sizes and under different environment has long been controversial and shrubs are particularly useful to examine these questions. Here we sampled 939 individuals from 50 forest shrub species along a large altitudinal gradient. We tested several allometry models with four relationships simultaneously (between stem diameter, height, leaf, stem and aboveground biomass), including geometric, elastic and stress similarity, and metabolic scaling theory’s predictions on small plants (MSTs) and trees (MSTt). We also tested if allometric exponents change markedly with climate and phylogeny. The predicted exponents of MSTt, elastic similarity and stress similarity (models for trees) were not supported by our data, while MSTs and geometric similarity gained more support, suggesting the finite size effect is more important for shrub allometries than being a woody plant. The influence of climate and phylogeny on allometric exponents were not significant or very weak, again suggesting strong biophysical constraints on shrub allometries. Our results reveal clear differences of shrub allometries from previous findings on trees (e.g. much weaker climatic and phylogenic control). Comparisons of herbs, shrubs and trees along a same climatic gradient are needed for better understanding of plant allometries. PMID:28266604

  1. Separate chemical freeze-outs of strange and non-strange hadrons and problem of residual chemical non-equilibrium of strangeness in relativistic heavy ion collisions

    CERN Document Server

    Bugaev, K A; Sagun, V V; Ivanytskyi, A I; Cleymans, J; Mironchuk, E S; Nikonov, E G; Taranenko, A V; Zinovjev, G M

    2016-01-01

    We present an elaborate version of the hadron resonance gas model with the combined treatment of separate chemical freeze-outs for strange and non-strange hadrons and with an additional $\\gamma_{s}$ factor which accounts for the remaining strange particle non-equilibration. Within suggested approach the parameters of two chemical freeze-outs are connected by the conservation laws of entropy, baryonic charge, third isospin projection and strangeness. The developed model enables us to perform a high-quality fit of the hadron multiplicity ratios measured at AGS, SPS and RHIC with $\\chi^2/dof \\simeq 0.93$. A special attention is paid to a successful description of the Strangeness Horn. The well-known problem of selective suppression of $\\bar \\Lambda $ and $\\bar \\Xi$ hyperons is also discussed. The main result is that for all collision energies the $\\gamma_{s}$ factor is about 1 within the error bars, except for the center of mass collision energy 7.6 GeV at which we find about 20\\% enhancement of strangeness. Als...

  2. Calculation of chemical equilibrium between aqueous solution and minerals: the EQ3/6 software package. [In FORTRAN extended 4. 6 for CDC6600 and 7600

    Energy Technology Data Exchange (ETDEWEB)

    Wolery, T.J.

    1979-02-01

    The newly developed EQ/36 software package computes equilibrium models of aqueous geochemical systems. The package contains two principal programs: EQ3 performs distribution-of-species calculations for natural water compositions; EQ6 uses the results of EQ3 to predict the consequences of heating and cooling aqueous solutions and of irreversible reaction in rock--water systems. The programs are valuable for studying such phenomena as the formation of ore bodies, scaling and plugging in geothermal development, and the long-term disposal of nuclear waste. EQ3 and EQ6 are compared with such well-known geochemical codes as SOLMNEQ, WATEQ, REDEQL, MINEQL, and PATHI. The data base allows calculations in the temperature interval 0 to 350{sup 0}C, at either 1 atm-steam saturation pressures or a constant 500 bars. The activity coefficient approximations for aqueous solutes limit modeling to solutions of ionic strength less than about one molal. The mathematical derivations and numerical techniques used in EQ6 are presented in detail. The program uses the Newton--Raphson method to solve the governing equations of chemical equilibrium for a system of specified elemental composition at fixed temperature and pressure. Convergence is aided by optimizing starting estimates and by under-relaxation techniques. The minerals present in the stable phase assemblage are found by several empirical methods. Reaction path models may be generated by using this approach in conjunction with finite differences. This method is analogous to applying high-order predictor--corrector methods to integrate a corresponding set of ordinary differential equations, but avoids propagation of error (drift). 8 figures, 9 tables.

  3. Empirical analysis on the connection between power-law distributions and allometries for urban indicators

    CERN Document Server

    Alves, Luiz G A; Lenzi, Ervin K; Mendes, Renio S

    2014-01-01

    We report on the existing connection between power-law distributions and allometries. As it was first reported in [PLoS ONE 7, e40393 (2012)] for the relationship between homicides and population, when these urban indicators present asymptotic power-law distributions, they can also display specific allometries among themselves. Here, we present an extensive characterization of this connection when considering all possible pairs of relationships from twelve urban indicators of Brazilian cities (such as child labour, illiteracy, income, sanitation and unemployment). Our analysis reveal that all our urban indicators are asymptotically distributed as power laws and that the proposed connection also holds for our data when the allometric relationship displays enough correlations. We have also found that not all allometric relationships are independent and that they can be understood as a consequence of the allometric relationship between the urban indicator and the population size. We further show that the residua...

  4. Reflective equilibrium

    NARCIS (Netherlands)

    van der Burg, W.; van Willigenburg, T.

    1998-01-01

    The basic idea of reflective equilibrium, as a method for theory construction and decision making in ethics, is that we should bring together a broad variety of moral and non-moral beliefs and, through a process of critical scrutiny and mutual adjustment, combine these into one coherent belief syste

  5. Examining the Efficiency of Models Using Tangent Coordinates or Principal Component Scores in Allometry Studies.

    Science.gov (United States)

    Sigirli, Deniz; Ercan, Ilker

    2015-09-01

    Most of the studies in medical and biological sciences are related to the examination of geometrical properties of an organ or organism. Growth and allometry studies are important in the way of investigating the effects of diseases and the environmental factors effects on the structure of the organ or organism. Thus, statistical shape analysis has recently become more important in the medical and biological sciences. Shape is all geometrical information that remains when location, scale and rotational effects are removed from an object. Allometry, which is a relationship between size and shape, plays an important role in the development of statistical shape analysis. The aim of the present study was to compare two different models for allometry which includes tangent coordinates and principal component scores of tangent coordinates as dependent variables in multivariate regression analysis. The results of the simulation study showed that the model constructed by taking tangent coordinates as dependent variables is more appropriate than the model constructed by taking principal component scores of tangent coordinates as dependent variables, for all sample sizes.

  6. Empirical analysis on the connection between power-law distributions and allometries for urban indicators

    Science.gov (United States)

    Alves, L. G. A.; Ribeiro, H. V.; Lenzi, E. K.; Mendes, R. S.

    2014-09-01

    We report on the existing connection between power-law distributions and allometries. As it was first reported in Gomez-Lievano et al. (2012) for the relationship between homicides and population, when these urban indicators present asymptotic power-law distributions, they can also display specific allometries among themselves. Here, we present an extensive characterization of this connection when considering all possible pairs of relationships from twelve urban indicators of Brazilian cities (such as child labor, illiteracy, income, sanitation and unemployment). Our analysis reveals that all our urban indicators are asymptotically distributed as power laws and that the proposed connection also holds for our data when the allometric relationship displays enough correlations. We have also found that not all allometric relationships are independent and that they can be understood as a consequence of the allometric relationship between the urban indicator and the population size. We further show that the residuals fluctuations surrounding the allometries are characterized by an almost constant variance and log-normal distributions.

  7. Unusual allometry for sexual size dimorphism in a cichlid where males are extremely larger than females

    Indian Academy of Sciences (India)

    Kazutaka Ota; Masanori Kohda; Tetsu Sato

    2010-06-01

    When males are the larger sex, a positive allometric relationship between male and female sizes is often found across populations of a single species (i.e. Rensch’s rule). This pattern is typically explained by a sexual selection pressure on males. Here, we report that the allometric relationship was negative across populations of a shell-brooding cichlid fish Lamprologus callipterus, although males are extremely larger than females. Male L. callipterus collect and defend empty snail shells in each of which a female breeds. We found that, across six populations, male and female sizes are positively correlated with not only sexual and fecundity selection indices, but also with shell sizes. Given their different reproductive behaviours, these correlations mean that males are required to be more powerful, and thus larger, to transport larger shells, while female bodies are reduced to the shell size to enable them to enter the shells. Among the three size selections (sexual selection, fecundity selection and shell size), shell size explained the allometry, suggesting that females are more strongly subject to size selection associated with shell size availability than males. However, the allometry was violated when considering an additional population where size-selection regimes of males differed from that of other populations. Therefore, sexual size allometry will be violated by body size divergence induced by multiple selection regimes.

  8. The Influence of Age, Location and Soil Conditions on the Allometry of Young Norway Spruce (Picea abies L. Karst. Trees

    Directory of Open Access Journals (Sweden)

    Ioan DUTCA

    2014-12-01

    Full Text Available In this study the influence of tree’s age, location (i.e. latitude and altitude and soil conditions (i.e. pH, humus content, carbon to nitrogen ratio, cation exchange capacity and percent base saturation on tree allometry was investigated. The data was collected from 22 Norway spruce (Picea abies L. Karst plantations located in Eastern Carpathians of Romania, aged between 4 and 15. From each plantation a soil sample and 10 trees were collected for soil chemical properties and biomass measurements, respectively. Root collar diameter (RCD and height (H based allometric equations were developed for total tree and vegetative organs of the tree (i.e. stem, branches, needles and roots. Furthermore, the interaction between the standardised residuals of these models and the tested factors was analysed. In order to account for the random effect of the clustered data, the mixed-effect modelling procedure was used. The results have shown no influence of these factors (age, location and soil conditions on RCD based models, except for branches biomass model which was linked to soil carbon/nitrogen ratio. The H based models, however, were significantly influenced by latitude and soil cation exchange capacity as a consequence of H/RCD ratio change with these factors. The trees were more likely to allocate more to height growth when growing in higher latitudes or on soils with higher values of cation exchange capacity.

  9. A Lakatosian Conceptual Change Teaching Strategy Based on Student Ability to Build Models with Varying Degrees of Conceptual Understanding of Chemical Equilibrium

    Science.gov (United States)

    Niaz, M.

    The main objective of this study is to construct a Lakatosian teaching strategy that can facilitate conceptual change in students'' understanding of chemical equilibrium. The strategy is based on the premise that cognitive conflicts must have been engendered by the students themselves in trying to cope with different problem solving strategies. Results obtained (based on Venezuelan freshman students) show that the performance of the experimental group of students was generally better (especially on the immediate post tests) than that of the control group. It is concluded that a conceptual change teaching strategy must take into consideration the following aspects: a) core beliefs of the students in the topic (cf. ''hard core'', Lakatos 1970); b) exploration of the relationship between core beliefs and student alternative conceptions (misconceptions); c) cognitive complexity of the core belief can be broken down into a series of related and probing questions; d) students resist changes in their core beliefs by postulating ''auxiliary hypotheses'' in order to resolve their contradictions; e) students'' responses based on their alternative conceptions must be considered not as wrong, but rather as models, perhaps in the same sense as used by scientists to break the complexity of a problem; and f) students'' misconceptions be considered as alternative conceptions (theories) that compete with the present scientific theories and at times recapitulate theories scientists held in the past.

  10. Sweatshop Equilibrium

    OpenAIRE

    Chau, Nancy H.

    2009-01-01

    This paper presents a capability-augmented model of on the job search, in which sweatshop conditions stifle the capability of the working poor to search for a job while on the job. The augmented setting unveils a sweatshop equilibrium in an otherwise archetypal Burdett-Mortensen economy, and reconciles a number of oft noted yet perplexing features of sweatshop economies. We demonstrate existence of multiple rational expectation equilibria, graduation pathways out of sweatshops in complete abs...

  11. Methanol synthesis beyond chemical equilibrium

    NARCIS (Netherlands)

    van Bennekom, J. G.; Venderbosch, R. H.; Winkelman, J. G. M.; Wilbers, E.; Assink, D.; Lemmens, K. P. J.; Heeres, H. J.

    2013-01-01

    In commercial methanol production from syngas, the conversion is thermodynamically limited to 0.3-0.7 leading to large recycles of non-converted syngas. This problem can be overcome to a significant extent by in situ condensation of methanol during its synthesis which is possible nowadays due to the

  12. Kinetics and equilibrium studies on biosorption of cadmium, lead, and nickel ions from aqueous solutions by intact and chemically modified brown algae

    Energy Technology Data Exchange (ETDEWEB)

    Montazer-Rahmati, Mohammad Mehdi, E-mail: mrahmati@ut.ac.ir [School of Chemical Engineering, College of Engineering, University of Tehran, P.O. Box: 11155-4563, Tehran 4563 (Iran, Islamic Republic of); Rabbani, Parisa; Abdolali, Atefeh [School of Chemical Engineering, College of Engineering, University of Tehran, P.O. Box: 11155-4563, Tehran 4563 (Iran, Islamic Republic of); Keshtkar, Ali Reza [Nuclear Science and Technology Research Institute, Atomic Energy Organization of Iran, P.O. Box: 11365-8486, Tehran (Iran, Islamic Republic of)

    2011-01-15

    Research highlights: {yields} The present study deals with the evaluation of biosorptive removal of Cd (II), Ni (II) and Pb (II) ions by both intact and pre-treated brown marine algae: Cystoseira indica, Sargassum glaucescens, Nizimuddinia zanardini and Padina australis treated with formaldehyde (FA), glutaraldehyde (GA), polyethylene imine (PEI), calcium chloride (CaCl{sub 2}) and hydrochloric acid (HCl). From the results obtained, chemically modification leads to higher capacity of biosorption. {yields} The equilibrium experimental data were tested using the most common isotherms. The results are best fitted by the Freundlich model among two-parameter models and the Toth, Khan and Radke-Prausnitz models among three-parameter isotherm models for Cd (II), Ni (II) and Pb (II), respectively. {yields} One-way ANOVA and one sample t-tests were performed on experimental data to evaluate the statistical significance of biosorption capacities after five cycles of sorption and desorption. {yields} The kinetic data were fitted by models including pseudo-first-order and pseudo-second-order. From the results obtained, the pseudo-second-order kinetic model describes best the biosorption of cadmium, nickel and lead ions. - Abstract: The present study deals with the evaluation of biosorptive removal of Cd (II), Ni (II) and Pb (II) ions by both intact and pre-treated brown marine algae: Cystoseira indica, Sargassum glaucescens, Nizimuddinia zanardini and Padina australis treated with formaldehyde (FA), glutaraldehyde (GA), polyethylene imine (PEI), calcium chloride (CaCl{sub 2}) and hydrochloric acid (HCl). Batch shaking adsorption experiments were performed in order to examine the effects of pH, contact time, biomass concentration, biomass treatment and initial metal concentration on the removal process. The optimum sorption conditions for each heavy metal are presented. One-way ANOVA and one sample t-tests were performed on experimental data to evaluate the statistical

  13. Temporal assessment of copper speciation, bioavailability and toxicity in UK freshwaters using chemical equilibrium and biotic ligand models: Implications for compliance with copper environmental quality standards.

    Science.gov (United States)

    Lathouri, Maria; Korre, Anna

    2015-12-15

    Although significant progress has been made in understanding how environmental factors modify the speciation, bioavailability and toxicity of metals such as copper in aquatic environments, the current methods used to establish water quality standards do not necessarily consider the different geological and geochemical characteristics of a given site and the factors that affect copper fate, bioavailability potential and toxicity. In addition, the temporal variation in the concentration and bioavailable metal fraction is also important in freshwater systems. The work presented in this paper illustrates the temporal and seasonal variability of a range of water quality parameters, and Cu speciation, bioavailability and toxicity at four freshwaters sites in the UK. Rivers Coquet, Cree, Lower Clyde and Eden (Kent) were selected to cover a broad range of different geochemical environments and site characteristics. The monitoring data used covered a period of around six years at almost monthly intervals. Chemical equilibrium modelling was used to study temporal variations in Cu speciation and was combined with acute toxicity modelling to assess Cu bioavailability for two aquatic species, Daphnia magna and Daphnia pulex. The estimated copper bioavailability, toxicity levels and the corresponding ecosystem risks were analysed in relation to key water quality parameters (alkalinity, pH and DOC). Although copper concentrations did not vary much during the sampling period or between the seasons at the different sites; copper bioavailability varied markedly. In addition, through the chronic-Cu BLM-based on the voluntary risk assessment approach, the potential environmental risk in terms of the chronic toxicity was assessed. A much higher likelihood of toxicity effects was found during the cold period at all sites. It is suggested that besides the metal (copper) concentration in the surface water environment, the variability and seasonality of other important water quality

  14. Equilibrium thermodynamics

    CERN Document Server

    Oliveira, Mário J

    2013-01-01

    This textbook provides an exposition of equilibrium thermodynamics and its applications to several areas of physics with particular attention to phase transitions and critical phenomena. The applications include several areas of condensed matter physics and include also a chapter on thermochemistry. Phase transitions and critical phenomena are treated according to the modern development of the field, based on the ideas of universality and on the Widom scaling theory. For each topic, a mean-field or Landau theory is presented to describe qualitatively the phase transitions.  These theories include the van der Waals theory of the liquid-vapor transition, the Hildebrand-Heitler theory of regular mixtures, the Griffiths-Landau theory for multicritical points in multicomponent systems, the Bragg-Williams theory of order-disorder in alloys, the Weiss theory of ferromagnetism, the Néel theory of antiferromagnetism, the Devonshire theory for ferroelectrics and Landau-de Gennes theory of liquid crystals. This textbo...

  15. Equilibrium thermodynamics

    CERN Document Server

    de Oliveira, Mário J

    2017-01-01

    This textbook provides an exposition of equilibrium thermodynamics and its applications to several areas of physics with particular attention to phase transitions and critical phenomena. The applications include several areas of condensed matter physics and include also a chapter on thermochemistry. Phase transitions and critical phenomena are treated according to the modern development of the field, based on the ideas of universality and on the Widom scaling theory. For each topic, a mean-field or Landau theory is presented to describe qualitatively the phase transitions. These theories include the van der Waals theory of the liquid-vapor transition, the Hildebrand-Heitler theory of regular mixtures, the Griffiths-Landau theory for multicritical points in multicomponent systems, the Bragg-Williams theory of order-disorder in alloys, the Weiss theory of ferromagnetism, the Néel theory of antiferromagnetism, the Devonshire theory for ferroelectrics and Landau-de Gennes theory of liquid crystals. This new edit...

  16. The allometry of parrot BMR: seasonal data for the Greater Vasa Parrot, Coracopsis vasa, from Madagascar.

    Science.gov (United States)

    Lovegrove, Barry G; Perrin, Mike R; Brown, Mark

    2011-12-01

    In this study we examined the allometry of basal metabolic rate (BMR) of 31 parrot species. Unlike previous reports, we show that parrots per se do not display BMRs that are any different to other captive-raised birds of their body size. An ordinary least squares regression fitted the data best and body mass explained 95% of the variation in BMR. There was no phylogenetic signal in the BMR data. We also provide new data for the Greater Vasa Parrot (Coracopsis vasa) of Madagascar. We tested the hypotheses that C. vasa may, because of its insular existence, display conservative energetic traits (low BMR, use of adaptive heterothermy) similar to those observed in several Malagasy mammals. However, this was not the case. C. vasa had a higher BMR than other parrots, especially during summer, when BMR was up-regulated by 50.5% and was 95.7% higher than predicted from an ordinary least squares (OLS) allometry of parrots (BMR = 0.042M (b) (0.649) , BMR in Watts, M (b) in grammes). Compared with BMR data for 94 captive-raised bird species, the winter and summer BMRs were, respectively, 45.5 and 117.8% higher than predicted by a phylogenetic generalised least squares (PGLS) allometry (BMR = 0.030M (b) (0.687) , BMR in Watts, M (b) in grammes). The summer up-regulation of BMR is the highest recorded for a bird of any size to date. We suggest that the costs of a high summer BMR may be met by the unusual cooperative breeding system of C. vasa in which groups of males feed the female and share paternity. The potential breeding benefits of a high summer BMR are unknown.

  17. Chromatographic speciation of Cr(III)-species, inter-species equilibrium isotope fractionation and improved chemical purification strategies for high-precision isotope analysis.

    Science.gov (United States)

    Larsen, K K; Wielandt, D; Schiller, M; Bizzarro, M

    2016-04-22

    Chromatographic purification of chromium (Cr), which is required for high-precision isotope analysis, is complicated by the presence of multiple Cr-species with different effective charges in the acid digested sample aliquots. The differing ion exchange selectivity and sluggish reaction rates of these species can result in incomplete Cr recovery during chromatographic purification. Because of large mass-dependent inter-species isotope fractionation, incomplete recovery can affect the accuracy of high-precision Cr isotope analysis. Here, we demonstrate widely differing cation distribution coefficients of Cr(III)-species (Cr(3+), CrCl(2+) and CrCl2(+)) with equilibrium mass-dependent isotope fractionation spanning a range of ∼1‰/amu and consistent with theory. The heaviest isotopes partition into Cr(3+), intermediates in CrCl(2+) and the lightest in CrCl2(+)/CrCl3°. Thus, for a typical reported loss of ∼25% Cr (in the form of Cr(3+)) through chromatographic purification, this translates into 185 ppm/amu offset in the stable Cr isotope ratio of the residual sample. Depending on the validity of the mass-bias correction during isotope analysis, this further results in artificial mass-independent effects in the mass-bias corrected (53)Cr/(52)Cr (μ(53)Cr* of 5.2 ppm) and (54)Cr/(52)Cr (μ(54)Cr* of 13.5 ppm) components used to infer chronometric and nucleosynthetic information in meteorites. To mitigate these fractionation effects, we developed strategic chemical sample pre-treatment procedures that ensure high and reproducible Cr recovery. This is achieved either through 1) effective promotion of Cr(3+) by >5 days exposure to HNO3H2O2 solutions at room temperature, resulting in >∼98% Cr recovery for most types of sample matrices tested using a cationic chromatographic retention strategy, or 2) formation of Cr(III)-Cl complexes through exposure to concentrated HCl at high temperature (>120 °C) for several hours, resulting in >97.5% Cr recovery using a

  18. The nature of allometry in an exaggerated trait: The postocular flange in Platyneuromus Weele (Insecta: Megaloptera)

    Science.gov (United States)

    Ramírez-Ponce, Andrés; Garfias-Lozano, Gabriela; Contreras-Ramos, Atilano

    2017-01-01

    The origin and function of exaggerated traits exhibited by a great number of species with sexual dimorphism remain largely unexplored. The usual model considered as the evolutionary mechanism for the development of these structures is sexual selection. The nature of growth of the postocular flange (POF) in three species of the dobsonfly genus Platyneuromus (Megaloptera, Corydalidae, Corydalinae) is analyzed to explore sexual size dimorphism and allometric scaling. Results involve positive allometry of POF in males of two species, and negative allometry in males of one species, in general with a female-biased sexual dimorphism. We suggest an ancestral condition of dual incipient ornamentation in Platyneuromus, with a subsequent departure of size and shape of POF in males, triggered by sexual selection. Different sexual selection intensities may explain the parallel or divergent growth of POF within the scheme of dual ornamentation. Empirical behavioral data as well as a phylogenetic framework are necessary to clarify possible causes of phenotypic development, time of origin, and evolution of the POF. PMID:28212437

  19. Non-local thermodynamic equilibrium stellar spectroscopy with 1D and 3D models - II. Chemical properties of the Galactic metal-poor disk and the halo

    DEFF Research Database (Denmark)

    Bergemann, Maria; Collet, Remo; Schönrich, Ralph

    2016-01-01

    We have analysed high-resolution spectra of 328 stars and derived Mg abundances using non-local thermodynamic equilibrium (NLTE) spectral line formation calculations and plane-parallel model stellar atmospheres derived from the mean stratification of 3D hydrodynamical surface convection simulations....../Fe] ratios close to solar even at [Fe/H] ~ -2. This is at variance with results of classical abundance analyses based on local thermodynamic equilibrium (LTE) and 1D model stellar atmospheres, which argue for a constant elevated [Mg/Fe] in metal-poor stars of the Galactic thick disk and halo....

  20. Chemical Equilibrium, Unit 4: Equilibria in Acid-Base Systems. A Computer-Enriched Module for Introductory Chemistry. Student's Guide and Teacher's Guide.

    Science.gov (United States)

    Settle, Frank A., Jr.

    Presented are the teacher's guide and student materials for one of a series of self-instructional, computer-based learning modules for an introductory, undergraduate chemistry course. The student manual for this acid-base equilibria unit includes objectives, prerequisites, pretest, a discussion of equilibrium constants, and 20 problem sets.…

  1. The allometry of CNS size and consequences of miniaturization in orb-weaving and cleptoparasitic spiders.

    Science.gov (United States)

    Quesada, Rosannette; Triana, Emilia; Vargas, Gloria; Douglass, John K; Seid, Marc A; Niven, Jeremy E; Eberhard, William G; Wcislo, William T

    2011-11-01

    Allometric studies of the gross neuroanatomy of adults from nine species of spiders from six web-weaving families (Orbicularia), and nymphs from six of these species, show that very small spiders resemble other small animals in having disproportionately larger central nervous systems (CNSs) relative to body mass when compared with large-bodied forms. Small spiderlings and minute adult spiders have similar relative CNS volumes. The relatively large CNS of a very small spider occupies up to 78% of the cephalothorax volume. The CNSs of very small spiders extend into their coxae, occupying as much as 26% of the profile area of the coxae of an Anapisona simoni spiderling (body mass weave prey capture webs, as do the spiderlings, beginning with second instar nymphs. Comparable allometric relations occur in adults of both orb-weaving and cleptoparasitic species, indicating that this behavioral difference is not reflected in differences in gross CNS allometry.

  2. Allometry of sexual size dimorphism in turtles: a comparison of mass and length data

    Science.gov (United States)

    Regis, Koy W.

    2017-01-01

    Background The macroevolutionary pattern of Rensch’s Rule (positive allometry of sexual size dimorphism) has had mixed support in turtles. Using the largest carapace length dataset and only large-scale body mass dataset assembled for this group, we determine (a) whether turtles conform to Rensch’s Rule at the order, suborder, and family levels, and (b) whether inferences regarding allometry of sexual size dimorphism differ based on choice of body size metric used for analyses. Methods We compiled databases of mean body mass and carapace length for males and females for as many populations and species of turtles as possible. We then determined scaling relationships between males and females for average body mass and straight carapace length using traditional and phylogenetic comparative methods. We also used regression analyses to evalutate sex-specific differences in the variance explained by carapace length on body mass. Results Using traditional (non-phylogenetic) analyses, body mass supports Rensch’s Rule, whereas straight carapace length supports isometry. Using phylogenetic independent contrasts, both body mass and straight carapace length support Rensch’s Rule with strong congruence between metrics. At the family level, support for Rensch’s Rule is more frequent when mass is used and in phylogenetic comparative analyses. Turtles do not differ in slopes of sex-specific mass-to-length regressions and more variance in body size within each sex is explained by mass than by carapace length. Discussion Turtles display Rensch’s Rule overall and within families of Cryptodires, but not within Pleurodire families. Mass and length are strongly congruent with respect to Rensch’s Rule across turtles, and discrepancies are observed mostly at the family level (the level where Rensch’s Rule is most often evaluated). At macroevolutionary scales, the purported advantages of length measurements over weight are not supported in turtles. PMID:28149687

  3. Beyond transition state theory: accurate description of nuclear quantum effects on the rate and equilibrium constants of chemical reactions using Feynman path integrals.

    Science.gov (United States)

    Vanícek, Jirí

    2011-01-01

    Nuclear tunneling and other nuclear quantum effects have been shown to play a significant role in molecules as large as enzymes even at physiological temperatures. I discuss how these quantum phenomena can be accounted for rigorously using Feynman path integrals in calculations of the equilibrium and kinetic isotope effects as well as of the temperature dependence of the rate constant. Because these calculations are extremely computationally demanding, special attention is devoted to increasing the computational efficiency by orders of magnitude by employing efficient path integral estimators.

  4. Using ant colony algorithm to calculate the chemical equilibrium of complex system%利用蚁群算法计算复杂体系化学平衡

    Institute of Scientific and Technical Information of China (English)

    胡元; 李尚勇; 谢刚

    2012-01-01

    基于Gibbs自由能最小原理,本文利用蚁群算法构建了一个复杂体系化学平衡计算的数值计算模型.该模型嵌入局部搜索算法以提高计算精度,通过蚁群移动以获取全局最优解.通过算法验证计算表明,该模型能够作为一种复杂体系化学平衡计算的方法.%Based on the Gibbs free energy minimization method, we use ant colony algorithm to build a numerical calculation model of chemical equilibrium calculations of complex system. The model is embedded into the local search algorithm to improve precision in calculation and through the colony moved to obtain global optimal solution. Algorithm validation results show that the model can be used as a method of chemical equilibrium calculations of complex system.

  5. Catalytic Dehydration of Glycerol to Acrolein over a Catalyst of Pd/LaY Zeolite and Comparison with the Chemical Equilibrium

    Directory of Open Access Journals (Sweden)

    Israel Pala Rosas

    2017-02-01

    Full Text Available Glycerol dehydration to acrolein was studied with three catalysts using zeolite-Y. This zeolite in its protonic form (HY, with La (LaY and Pd with La (Pd/LaY, was characterized by X-ray diffraction (XRD, Fourier-transform-infrared spectroscopy (FTIR with pyridine, BET, Scanning Electron Microscope (SEM–Energy-Dispersive Spectroscopy X-ray (EDS and the catalytic activity tests were carried out under H2 atmosphere. It was found that La ions exchanged in the zeolite-Y resulted in the improvement of both glycerol conversion and yield to acrolein, also a relatively constant glycerol conversion was achieved up to three hours, due to the presence of Pd on the catalyst and H2 in the feed. The comparison of the calculated and experimental yields obtained from the catalytic tests of the Pd/LaY catalyst indicates a greater activity for the reaction to acrolein than for the reaction to acetol. The calculated equilibrium yields of the dehydration reaction from glycerol to acrolein, acetol, ethanal, methanol, and water and the experimental yields of a Pd/LaY catalyst were compared. Thermodynamically, a complete conversion of glycerol can be achieved since the general system remains exothermic and promotes the path to acetol below 480 K. Above this temperature the system consumes energy and favors the production of acrolein, reaching its maximum concentration at 600 K.

  6. Kinetics and equilibrium studies on biosorption of cadmium, lead, and nickel ions from aqueous solutions by intact and chemically modified brown algae.

    Science.gov (United States)

    Montazer-Rahmati, Mohammad Mehdi; Rabbani, Parisa; Abdolali, Atefeh; Keshtkar, Ali Reza

    2011-01-15

    The present study deals with the evaluation of biosorptive removal of Cd (II), Ni (II) and Pb (II) ions by both intact and pre-treated brown marine algae: Cystoseira indica, Sargassum glaucescens, Nizimuddinia zanardini and Padina australis treated with formaldehyde (FA), glutaraldehyde (GA), polyethylene imine (PEI), calcium chloride (CaCl(2)) and hydrochloric acid (HCl). Batch shaking adsorption experiments were performed in order to examine the effects of pH, contact time, biomass concentration, biomass treatment and initial metal concentration on the removal process. The optimum sorption conditions for each heavy metal are presented. One-way ANOVA and one sample t-tests were performed on experimental data to evaluate the statistical significance of biosorption capacities after five cycles of sorption and desorption. The equilibrium experimental data were tested using the most common isotherms. The results are best fitted by the Freundlich model among two-parameter models and the Toth, Khan and Radke-Prausnitz models among three-parameter isotherm models for Cd (II), Ni (II) and Pb (II), respectively. The kinetic data were fitted by models including pseudo-first-order and pseudo-second-order. From the results obtained, the pseudo-second-order kinetic model best describes the biosorption of cadmium, nickel and lead ions.

  7. Ion exchange equilibrium constants

    CERN Document Server

    Marcus, Y

    2013-01-01

    Ion Exchange Equilibrium Constants focuses on the test-compilation of equilibrium constants for ion exchange reactions. The book first underscores the scope of the compilation, equilibrium constants, symbols used, and arrangement of the table. The manuscript then presents the table of equilibrium constants, including polystyrene sulfonate cation exchanger, polyacrylate cation exchanger, polymethacrylate cation exchanger, polysterene phosphate cation exchanger, and zirconium phosphate cation exchanger. The text highlights zirconium oxide anion exchanger, zeolite type 13Y cation exchanger, and

  8. The allometry of coarse root biomass: log-transformed linear regression or nonlinear regression?

    Directory of Open Access Journals (Sweden)

    Jiangshan Lai

    Full Text Available Precise estimation of root biomass is important for understanding carbon stocks and dynamics in forests. Traditionally, biomass estimates are based on allometric scaling relationships between stem diameter and coarse root biomass calculated using linear regression (LR on log-transformed data. Recently, it has been suggested that nonlinear regression (NLR is a preferable fitting method for scaling relationships. But while this claim has been contested on both theoretical and empirical grounds, and statistical methods have been developed to aid in choosing between the two methods in particular cases, few studies have examined the ramifications of erroneously applying NLR. Here, we use direct measurements of 159 trees belonging to three locally dominant species in east China to compare the LR and NLR models of diameter-root biomass allometry. We then contrast model predictions by estimating stand coarse root biomass based on census data from the nearby 24-ha Gutianshan forest plot and by testing the ability of the models to predict known root biomass values measured on multiple tropical species at the Pasoh Forest Reserve in Malaysia. Based on likelihood estimates for model error distributions, as well as the accuracy of extrapolative predictions, we find that LR on log-transformed data is superior to NLR for fitting diameter-root biomass scaling models. More importantly, inappropriately using NLR leads to grossly inaccurate stand biomass estimates, especially for stands dominated by smaller trees.

  9. Inter-site variation in allometry and wood density of Goupia glabra Aubl. in Amazonia.

    Science.gov (United States)

    Siliprandi, N C; Nogueira, E M; Toledo, J J; Fearnside, P M; Nascimento, H E M

    2016-02-01

    The present study aims to compare the allometry and wood density of Goupia glabra Aubl. (Goupiaceae) in two different terra-firme sites in Amazonian forest. A total of 65 trees ≥ 10 cm DBH was sampled in both sites, with 39 trees in Nova Olinda do Norte (NOlinda, near the Amazon River) and 29 trees in Apuí (near the southern edge of the Amazon forest). Except for the relationship between DBH (diameter at breast height) and Ht (total height), allometric relationships for G.glabra differed significantly between sites. Apuí had lower intercept and greater slope for log10 (DBH) versus log10 (Hs - stem height), and, conversely, greater intercept and lower slope for log10 (DBH) versus log10 (Ch - crown height). The slope differed significantly between the sites for DBH versus Cd (crown diameter), with greater slope found for NOlinda. Mean basic wood density in Apuí was 8.8% lower than in NOlinda. Our findings highlight the variation in adaptive strategy of G. glabra due to environmental differences between sites. This is probably because of different canopy-understory light gradients, which result in differentiation of resource allocation between vertical and horizontal growth, which, in turn, affects mechanical support related to wood density. We also hypothesize that differences in soil fertility and disturbance regimes between sites may act concomitantly with light.

  10. Allometry of facial mobility in anthropoid primates: implications for the evolution of facial expression.

    Science.gov (United States)

    Dobson, Seth D

    2009-01-01

    Body size may be an important factor influencing the evolution of facial expression in anthropoid primates due to allometric constraints on the perception of facial movements. Given this hypothesis, I tested the prediction that observed facial mobility is positively correlated with body size in a comparative sample of nonhuman anthropoids. Facial mobility, or the variety of facial movements a species can produce, was estimated using a novel application of the Facial Action Coding System (FACS). I used FACS to estimate facial mobility in 12 nonhuman anthropoid species, based on video recordings of facial activity in zoo animals. Body mass data were taken from the literature. I used phylogenetic generalized least squares (PGLS) to perform a multiple regression analysis with facial mobility as the dependent variable and two independent variables: log body mass and dummy-coded infraorder. Together, body mass and infraorder explain 92% of the variance in facial mobility. However, the partial effect of body mass is much stronger than for infraorder. The results of my study suggest that allometry is an important constraint on the evolution of facial mobility, which may limit the complexity of facial expression in smaller species. More work is needed to clarify the perceptual bases of this allometric pattern.

  11. Inter-site variation in allometry and wood density of Goupia glabra Aubl. in Amazonia.

    Science.gov (United States)

    Siliprandi, N C; Nogueira, E M; Toledo, J J; Fearnside, P M; Nascimento, H E M

    2016-01-22

    The present study aims to compare the allometry and wood density of Goupia glabra Aubl. (Goupiaceae) in two different terra-firme sites in Amazonian forest. A total of 65 trees ≥ 10 cm DBH was sampled in both sites, with 39 trees in Nova Olinda do Norte (NOlinda, near the Amazon River) and 29 trees in Apuí (near the southern edge of the Amazon forest). Except for the relationship between DBH (diameter at breast height) and Ht (total height), allometric relationships for G.glabra differed significantly between sites. Apuí had lower intercept and greater slope for log10 (DBH) versus log10 (Hs - stem height), and, conversely, greater intercept and lower slope for log10 (DBH) versus log10 (Ch - crown height). The slope differed significantly between the sites for DBH versus Cd (crown diameter), with greater slope found for NOlinda. Mean basic wood density in Apuí was 8.8% lower than in NOlinda. Our findings highlight the variation in adaptive strategy of G. glabra due to environmental differences between sites. This is probably because of different canopy-understory light gradients, which result in differentiation of resource allocation between vertical and horizontal growth, which, in turn, affects mechanical support related to wood density. We also hypothesize that differences in soil fertility and disturbance regimes between sites may act concomitantly with light.

  12. Numerical Modelling of Dissolving and Driving Exploitation of Potash Salt in the Qarhan Playa——A Coupled Model of Reactive olute Transport and Chemical Equilibrium in a Multi-component Underground Brine System

    Institute of Scientific and Technical Information of China (English)

    LI Wenpeng; LIU Zhenying

    2008-01-01

    Firstly, the macroscopic chemical equilibrium state of a series of chemical reactions between intercrystal brine and its media salt layer (salt deposit) in Qarhan Salt Lake was studied by using the Pitzer theory. The concept of macroscopic solubility product and its relation with accumulated ore dissolving ratio were presented, which are used in the numerical model of dissolving and driving exploitation of potassium salt in Qarhan Salt Lake. And secondly, with a model forming idea oftransport model for reacting solutes in the multi-component fresh groundwater system in porous media being a reference, a two-dimensional transport model coupled with a series of chemical reactions in a multi-component brine porous system (salt deposits) was developed by using the Pitzer theory.Meanwhile, the model was applied to model potassium/magnesium transport in Qarhan Salt Lake in order to study the transfer law of solid and liquid phases in the dissolving and driving process and to design the optimal injection/abstraction strategy for dissolving and capturing maximum Potassium/Magnesium in the mining of salt deposits in Qarhan Salt Lake.

  13. Impact of Chemical Non-equilibrium Effect on Aerodynamic Characteristics of Reentry Capsules%化学非平衡效应对返回舱再入气动力特性的影响

    Institute of Scientific and Technical Information of China (English)

    吕俊明; 潘宏禄; 苗文博; 程晓丽

    2014-01-01

    高空高马赫数条件下,化学非平衡效应将对飞行器气动特性产生影响,影响飞行器气动布局优化和飞行弹道设计。文章通过三维化学非平衡流动求解程序,针对再入返回器开展数值研究与机理分析,通过对比完全气体模型和化学非平衡气体模型获得的气动力参数,揭示化学非平衡效应对流场结构和气动力特性的影响和规律。结果表明,对Apollo的气动力计算结果验证了模型和计算方法;化学非平衡效应影响下,激波层内化学反应消耗大量能量,致使激波脱体距离减小,气体压缩性增强;典型状态高度为70 km,Ma=30条件下,化学非平衡效应导致返回器升力系数增大约6%、阻力系数增大约1.3%~3.3%、升阻比增大3%左右、俯仰力矩系数增大,从而使配平攻角减小约2.5°;通过机理分析,发现化学非平衡效应影响下表面压力系数发生变化的原因是飞行器周围激波形状及驻点压力改变,表现为气体沿流线经激波层、压缩区和膨胀区的历程变化;对于钝体形状的返回器,迎风面前体压力系数增加和后体压力系数降低,造成轴向力和法向力系数增大。%Chemical non-equilibrium effect has a strong impact on aerodynamic characteristics of vehi-cles flying at high altitude and highMa number, which will affect aerodynamic shape optimization and flight trajectory design. The numerical investigation and mechanism analysis are carried out on reentry vehicles using a three dimensional chemical non-equilibrium flow solver, to understand the impact and regularity of chemical non-equilibrium effect on the flow field structures and aerodynamic forces, in comparison with a perfect gas model. The good agreement between current result and reference data for AS-202 flight test validates the model and numerical methods. The stand-off distance of the forebody shockwave is reduced, and the compressibility of

  14. Allometry of a neotropical palm, Euterpe edulis Mart. Alometria de uma palmeira Neotropical, Euterpe edulis Mart

    Directory of Open Access Journals (Sweden)

    Luciana F. Alves

    2004-06-01

    Full Text Available The stem allometry (stem diameter vs. tree height of a Neotropical palm (Euterpe edulis found in rain and seasonal forest of Southeastern Brazil was examined. Observed height-diameter relationships along the stem (diameter at ground level, (dgl, and diameter at breast height (dbh were compared to three theoretical stability mechanical models: elastic similarity, stress similarity and geometric similarity. Slopes of log-transformed height-diameter relationships did not lie near those predicted by any stability mechanical models. Significant differences in stem allometry were found when comparing dgl to dbh, suggesting greater increase in dbh with height. The relationship between stability safety factor (SSF and palm height showed that both dgl and dbh were found to be above McMahon's theoretical buckling limit for dicotyledonous trees, but some individuals approached this limit in relation to dbh. Despite displaying a similar decreasing pattern of SSF with height, differences found in SSF along the stem - greater SSF for dgl when compared to dbh - indicate that the risk of mechanism failure in palms depends upon the size and varies along the stem. Distinct allometric relationships along the stem obtained for Euterpe edulis may be reflecting possible differences in stem design and growth strategies.Neste trabalho foram analisadas as relações entre o diâmetro e a altura de uma palmeira Neotropical (Euterpe edulis comum na Floresta Atlântica do SE do Brasil. As relações observadas entre a altura e o diâmetro ao longo do estipe (diâmetro ao nível do solo (DAS, e diâmetro ao nível do peito (DAP foram comparadas a três modelos teóricos de estabilidade mecânica: similaridade elástica, similaridade de estresse e similaridade geométrica. As inclinações das regressões altura-diâmetro não se ajustaram a nenhum dos modelos de estabilidade mecânica. Diferenças significativas na alometria do estipe foram encontradas comparando-se as rela

  15. Long-Bone Allometry of Terrestrial Mammals and the Geometric-Shape and Elastic-Force Constraints of Bone Evolution

    CERN Document Server

    Kokshenev, V B; García, G J M

    2003-01-01

    A natural similarity in body dimensions of terrestrial animals noticed by ancient philosophers remains the main key to the problem of mammalian skeletal evolution with body mass explored in theoretical and experimental biology and tested by comparative zoologists. We discuss the long-standing problem of mammalian bone allometry commonly studied in terms of the so-called ''geometric'', ''elastic'', and ''static stress'' similarities by McMahon (1973, 1975a, 1975b). We revise the fundamental assumptions underlying these similarities and give new physical insights into geometric-shape and elastic-force constraints imposed on spatial evolution of mammalian long bones.

  16. ON VECTOR NETWORK EQUILIBRIUM PROBLEMS

    Institute of Scientific and Technical Information of China (English)

    Guangya CHEN

    2005-01-01

    In this paper we define a concept of weak equilibrium for vector network equilibrium problems.We obtain sufficient conditions of weak equilibrium points and establish relation with vector network equilibrium problems and vector variational inequalities.

  17. Vision in semi-aquatic snakes: Intraocular morphology, accommodation, and eye: Body allometry

    Science.gov (United States)

    Plylar, Helen Bond

    Vision in vertebrates generally relies on the refractive power of the cornea and crystalline lens to facilitate vision. Light from the environment enters the eye and is refracted by the cornea and lens onto the retina for production of an image. When an animal with a system designed for air submerges underwater, the refractive power of the cornea is lost. Semi-aquatic animals (e.g., water snakes, turtles, aquatic mammals) must overcome this loss of corneal refractive power through visual accommodation. Accommodation relies on change of the position or shape of the lens to change the focal length of the optical system. Intraocular muscles and fibers facilitate lenticular displacement and deformation. Snakes, in general, are largely unstudied in terms of visual acuity and intraocular morphology. I used light microscopy and scanning electron microscopy to examine differences in eye anatomy between five sympatric colubrid snake species (Nerodia cyclopion, N. fasciata, N. rhombifer, Pantherophis obsoletus, and Thamnophis proximus) from Southeast Louisiana. I discovered previously undescribed structures associated with the lens in semi-aquatic species. Photorefractive methods were used to assess refractive error. While all species overcame the expected hyperopia imposed by submergence, there was interspecific variation in refractive error. To assess scaling of eye size with body size, I measure of eye size, head size, and body size in Nerodia cyclopion and N. fasciata from the SLU Vertebrate Museum. In both species, body size increases at a significantly faster rate than head size and eye size (negative allometry). Small snakes have large eyes relative to body size, and large snakes have relatively small eyes. There were interspecific differences in scaling of eye size with body size, where N. fasciata had larger eye diameter, but N. cyclopion had longer eyes (axial length).

  18. Diversity in olfactory bulb size in birds reflects allometry, ecology and phylogeny

    Directory of Open Access Journals (Sweden)

    Jeremy Richard Corfield

    2015-07-01

    Full Text Available The relative size of olfactory bulbs is correlated with olfactory capabilities across vertebrates and is widely used to assess the relative importance of olfaction to a species’ ecology. In birds, variations in the relative size of olfactory bulbs are correlated with some behaviors, however, the factors that have led to the high level of diversity seen in olfactory bulb sizes across birds are still not well understood. In this study, we use the relative size of olfactory bulbs as a neuroanatomical proxy for olfactory capabilities in 135 species of birds, representing 21 orders. We examine the scaling of olfactory bulbs with brain size across avian orders, determined likely ancestral states and test for correlations between OB sizes and habitat, ecology and behavior. The size of avian OBs varied with the size of the brain and this allometric relationship was for the most part isometric, although species did deviate from this trend. Large olfactory bulbs were characteristic of more basal species and in more recently derived species the OBs were small. Living and foraging in a semi aquatic environment was the strongest variable driving the evolution of large olfactory bulbs in birds; olfaction may provide cues for navigation and foraging in this otherwise featureless environment. Some of the diversity in OB sizes was also undoubtedly due to differences in migratory behavior, foraging strategies and social structure. In summary, relative OB size in birds reflect allometry, phylogeny and behavior in ways that parallel that of other vertebrate classes. This provides comparative evidence that supports recent experimental studies into avian olfaction and suggests that olfaction is a critically important sensory modality for all avian species.

  19. Influence of shade tolerance and development stage on the allometry of ten temperate tree species.

    Science.gov (United States)

    Franceschini, Tony; Schneider, Robert

    2014-11-01

    Allometry studies the change in scale between two dimensions of an organism. The metabolic theory of ecology predicts invariant allometric scaling exponents, while empirical studies evidenced inter- and intra-specific variations. This work aimed at identifying the sources of variations of the allometric exponents at both inter- and intra-specific levels using stem analysis from 9,363 trees for ten Eastern Canada species with a large shade-tolerance gradient. Specifically, the yearly allometric exponents, α(v,DBH) [volume (v) and diameter at breast height (DBH)], β(v,h) [v and height (h)], and γ(h,DBH) (h and DBH) were modelled as a function of tree age for each species. α(v,DBH), and γ(h,DBH) increased with tree age and then reached a plateau ranging from 2.45 to 3.12 for α(v,DBH), and 0.874-1.48 for γ(h,DBH). Pine species presented a local maximum. No effect of tree age on β(v,h) was found for conifers, while it increased until a plateau ranging from 3.71 to 5.16 for broadleaves. The influence of shade tolerance on the growth trajectories was then explored. In the juvenile stage, α(v,DBH), and γ(h,DBH) increased with shade tolerance while β(v,h) was shade-tolerance independent. In the mature stage, β(v,h) increased with shade tolerance, whereas γ(h,DBH) decreased and α(v,DBH) was shade-tolerance independent. The interaction between development stage and shade tolerance for allometric exponents demonstrates the importance of the changing functional requirements of trees for resource allocation at both the inter- and intra-specific level. These results indicate the need to also integrate specific functional traits, growth strategies and allocation, in allometric theoretical frameworks.

  20. Hierarchical reproductive allocation and allometry within a perennial bunchgrass after 11 years of nutrient addition.

    Science.gov (United States)

    Tian, Dashuan; Pan, Qingmin; Simmons, Matthew; Chaolu, Hada; Du, Baohong; Bai, Yongfei; Wang, Hong; Han, Xingguo

    2012-01-01

    Bunchgrasses are one of the most important plant functional groups in grassland ecosystems. Reproductive allocation (RA) for a bunchgrass is a hierarchical process; however, how bunchgrasses adjust their RAs along hierarchical levels in response to nutrient addition has never been addressed. Here, utilizing an 11-year nutrient addition experiment, we examined the patterns and variations in RA of Agropyron cristatum at the individual, tiller and spike levels. We evaluated the reproductive allometric relationship at each level by type II regression analysis to determine size-dependent and size-independent effects on plant RA variations. Our results indicate that the proportion of reproductive individuals in A. cristatum increased significantly after 11 years of nutrient addition. Adjustments in RA in A. cristatum were mainly occurred at the individual and tiller levels but not at the spike level. A size-dependent effect was a dominant mechanism underlying the changes in plant RA at both individual and tiller levels. Likewise, the distribution of plant size was markedly changed with large individuals increasing after nutrient addition. Tiller-level RA may be a limiting factor for the adjustment of RA in A. cristatum. To the best of our knowledge, this study is the first to examine plant responses in terms of reproductive allocation and allometry to nutrient enrichment within a bunchgrass population from a hierarchical view. Our findings have important implications for understanding the mechanisms underlying bunchgrass responses in RA to future eutrophication due to human activities. In addition, we developed a hierarchical analysis method for disentangling the mechanisms that lead to variation in RA for perennial bunchgrasses.

  1. Hierarchical reproductive allocation and allometry within a perennial bunchgrass after 11 years of nutrient addition.

    Directory of Open Access Journals (Sweden)

    Dashuan Tian

    Full Text Available Bunchgrasses are one of the most important plant functional groups in grassland ecosystems. Reproductive allocation (RA for a bunchgrass is a hierarchical process; however, how bunchgrasses adjust their RAs along hierarchical levels in response to nutrient addition has never been addressed. Here, utilizing an 11-year nutrient addition experiment, we examined the patterns and variations in RA of Agropyron cristatum at the individual, tiller and spike levels. We evaluated the reproductive allometric relationship at each level by type II regression analysis to determine size-dependent and size-independent effects on plant RA variations. Our results indicate that the proportion of reproductive individuals in A. cristatum increased significantly after 11 years of nutrient addition. Adjustments in RA in A. cristatum were mainly occurred at the individual and tiller levels but not at the spike level. A size-dependent effect was a dominant mechanism underlying the changes in plant RA at both individual and tiller levels. Likewise, the distribution of plant size was markedly changed with large individuals increasing after nutrient addition. Tiller-level RA may be a limiting factor for the adjustment of RA in A. cristatum. To the best of our knowledge, this study is the first to examine plant responses in terms of reproductive allocation and allometry to nutrient enrichment within a bunchgrass population from a hierarchical view. Our findings have important implications for understanding the mechanisms underlying bunchgrass responses in RA to future eutrophication due to human activities. In addition, we developed a hierarchical analysis method for disentangling the mechanisms that lead to variation in RA for perennial bunchgrasses.

  2. Thermodynamics and fluctuations far from equilibrium

    CERN Document Server

    Ross, John

    2008-01-01

    This book deals with the formulation of the thermodynamics of chemical and other systems far from equilibrium, including connections to fluctuations. It contains applications to non-equilibrium stationary states and approaches to such states, systems with multiple stationary states, stability and equi-stability conditions, reaction diffusion systems, transport properties, and electrochemical systems. The theoretical treatment is complemented by experimental results to substantiate the formulation. Dissipation and efficiency are analyzed in autonomous and externally forced reactions, including several biochemical systems.

  3. 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

  4. Thermodynamics "beyond" local equilibrium

    Science.gov (United States)

    Vilar, Jose; Rubi, Miguel

    2002-03-01

    Nonequilibrium thermodynamics has shown its applicability in a wide variety of different situations pertaining to fields such as physics, chemistry, biology, and engineering. As successful as it is, however, its current formulation considers only systems close to equilibrium, those satisfying the so-called local equilibrium hypothesis. Here we show that diffusion processes that occur far away from equilibrium can be viewed as at local equilibrium in a space that includes all the relevant variables in addition to the spatial coordinate. In this way, nonequilibrium thermodynamics can be used and the difficulties and ambiguities associated with the lack of a thermodynamic description disappear. We analyze explicitly the inertial effects in diffusion and outline how the main ideas can be applied to other situations. [J.M.G. Vilar and J.M. Rubi, Proc. Natl. Acad. Sci. USA 98, 11081-11084 (2001)].

  5. Response reactions: equilibrium coupling.

    Science.gov (United States)

    Hoffmann, Eufrozina A; Nagypal, Istvan

    2006-06-01

    It is pointed out and illustrated in the present paper that if a homogeneous multiple equilibrium system containing k components and q species is composed of the reactants actually taken and their reactions contain only k + 1 species, then we have a unique representation with (q - k) stoichiometrically independent reactions (SIRs). We define these as coupling reactions. All the other possible combinations with k + 1 species are the coupled reactions that are in equilibrium when the (q - k) SIRs are in equilibrium. The response of the equilibrium state for perturbation is determined by the coupling and coupled equilibria. Depending on the circumstances and the actual thermodynamic data, the effect of coupled equilibria may overtake the effect of the coupling ones, leading to phenomena that are in apparent contradiction with Le Chatelier's principle.

  6. Non-equilibrium Economics

    Directory of Open Access Journals (Sweden)

    Katalin Martinás

    2007-02-01

    Full Text Available A microeconomic, agent based framework to dynamic economics is formulated in a materialist approach. An axiomatic foundation of a non-equilibrium microeconomics is outlined. Economic activity is modelled as transformation and transport of commodities (materials owned by the agents. Rate of transformations (production intensity, and the rate of transport (trade are defined by the agents. Economic decision rules are derived from the observed economic behaviour. The non-linear equations are solved numerically for a model economy. Numerical solutions for simple model economies suggest that the some of the results of general equilibrium economics are consequences only of the equilibrium hypothesis. We show that perfect competition of selfish agents does not guarantee the stability of economic equilibrium, but cooperativity is needed, too.

  7. Stochastic approach to equilibrium and nonequilibrium thermodynamics.

    Science.gov (United States)

    Tomé, Tânia; de Oliveira, Mário J

    2015-04-01

    We develop the stochastic approach to thermodynamics based on stochastic dynamics, which can be discrete (master equation) and continuous (Fokker-Planck equation), and on two assumptions concerning entropy. The first is the definition of entropy itself and the second the definition of entropy production rate, which is non-negative and vanishes in thermodynamic equilibrium. Based on these assumptions, we study interacting systems with many degrees of freedom in equilibrium or out of thermodynamic equilibrium and how the macroscopic laws are derived from the stochastic dynamics. These studies include the quasiequilibrium processes; the convexity of the equilibrium surface; the monotonic time behavior of thermodynamic potentials, including entropy; the bilinear form of the entropy production rate; the Onsager coefficients and reciprocal relations; and the nonequilibrium steady states of chemical reactions.

  8. Intraspecific variation in body size and the rate of reproduction in female insects - adaptive allometry or biophysical constraint?

    Science.gov (United States)

    Berger, David; Olofsson, Martin; Friberg, Magne; Karlsson, Bengt; Wiklund, Christer; Gotthard, Karl; Gilburn, Andre

    2012-11-01

    1. A high rate of reproduction may be costly if ecological factors limit immediate reproductive output as a fast metabolism compromises own future survival. Individuals with more reserves need more time and opportunity to realize their reproductive potential. Theory therefore predicts that the reproductive rate, defined as the investment in early reproduction in proportion to total potential, should decrease with body size within species. 2. However, metabolic constraints on body size- and temperature-dependent biological rates may impede biophysical adaptation. Furthermore, the sequential manner resources that are allocated to somatic vs. reproductive tissue during ontogeny may, when juveniles develop in unpredictable environments, further contribute to non-adaptive variation in adult reproductive rates. 3. With a model on female egg laying in insects, we demonstrate how variation in body reserves is predicted to affect reproductive rate under different ecological scenarios. Small females always have higher reproductive rates but shorter lifespans. However, incorporation of female host selectivity leads to more similar reproductive rates among female size classes, and oviposition behaviour is predicted to co-evolve with reproductive rate, resulting in small females being more selective in their choice and gaining relatively more from it. 4. We fed simulations with data on the butterfly Pararge aegeria to compare model predictions with reproductive rates of wild butterflies. However, simulated reproductive allometry was a poor predictor of that observed. Instead, reproductive rates were better explained as a product of metabolic constraints on rates of egg maturation, and an empirically derived positive allometry between reproductive potential and size. However, fitness is insensitive to moderate deviations in reproductive rate when oviposition behaviour is allowed to co-evolve in the simulations, suggesting that behavioural compensation may mitigate putative

  9. Group Contribution Methods for Phase Equilibrium Calculations.

    Science.gov (United States)

    Gmehling, Jürgen; Constantinescu, Dana; Schmid, Bastian

    2015-01-01

    The development and design of chemical processes are carried out by solving the balance equations of a mathematical model for sections of or the whole chemical plant with the help of process simulators. For process simulation, besides kinetic data for the chemical reaction, various pure component and mixture properties are required. Because of the great importance of separation processes for a chemical plant in particular, a reliable knowledge of the phase equilibrium behavior is required. The phase equilibrium behavior can be calculated with the help of modern equations of state or g(E)-models using only binary parameters. But unfortunately, only a very small part of the experimental data for fitting the required binary model parameters is available, so very often these models cannot be applied directly. To solve this problem, powerful predictive thermodynamic models have been developed. Group contribution methods allow the prediction of the required phase equilibrium data using only a limited number of group interaction parameters. A prerequisite for fitting the required group interaction parameters is a comprehensive database. That is why for the development of powerful group contribution methods almost all published pure component properties, phase equilibrium data, excess properties, etc., were stored in computerized form in the Dortmund Data Bank. In this review, the present status, weaknesses, advantages and disadvantages, possible applications, and typical results of the different group contribution methods for the calculation of phase equilibria are presented.

  10. Equilibrium games in networks

    Science.gov (United States)

    Li, Angsheng; Zhang, Xiaohui; Pan, Yicheng; Peng, Pan

    2014-12-01

    It seems a universal phenomenon of networks that the attacks on a small number of nodes by an adversary player Alice may generate a global cascading failure of the networks. It has been shown (Li et al., 2013) that classic scale-free networks (Barabási and Albert, 1999, Barabási, 2009) are insecure against attacks of as small as O(logn) many nodes. This poses a natural and fundamental question: Can we introduce a second player Bob to prevent Alice from global cascading failure of the networks? We proposed a game in networks. We say that a network has an equilibrium game if the second player Bob has a strategy to balance the cascading influence of attacks by the adversary player Alice. It was shown that networks of the preferential attachment model (Barabási and Albert, 1999) fail to have equilibrium games, that random graphs of the Erdös-Rényi model (Erdös and Rényi, 1959, Erdös and Rényi, 1960) have, for which randomness is the mechanism, and that homophyly networks (Li et al., 2013) have equilibrium games, for which homophyly and preferential attachment are the underlying mechanisms. We found that some real networks have equilibrium games, but most real networks fail to have. We anticipate that our results lead to an interesting new direction of network theory, that is, equilibrium games in networks.

  11. Chemical Equilibrium and Mineral Saturation in Waters from Oil Wells of the Activo Luna Field, Tabasco, Mexico; Equilibrio quimico y grado de saturacion de minerales en aguas de pozos petroleros de Activo Luna, Tabasco, Mexico

    Energy Technology Data Exchange (ETDEWEB)

    Barragan R, Rosa Maria; Arellano G, Victor M.; Portugal M, Enrique; Torres R, Vicente [Instituto de Investigaciones Electricas (Mexico); Torres Alvarado, Ignacio [Universidad Nacional Autonoma de Mexico (Mexico); Ascencio C, Fernando; Martinez A; Ana E [Petroleos Mexicanos (Mexico)

    2001-09-01

    Chemical equilibrium of formation waters from seven oil wells of the Activo Luna field (Tabasco, Mexico) was modelled. Saturation indices of characteristic hydrothermal minerals were calculated at ambient and reservoir conditions in order to predict scaling potential of deep and surface installations. The salinity of waters was found to be in the range from 43,000 (well Escuintle 2) to 250,000 (well Lune 3B) mg/kg as total dissolved solids. The water samples were classified as sodium-chioride type. Ionic strength for the solutions was found to be between 0.75 and 6.5. Activity coefficients were estimated by virial (Pitzer equations) methods using the GEOCHEMIST WORKENCH (GWB) software. Minerals such as anhydrite, halite, alunite, fluorite and barite were found to be supersaturated at reservoir conditions. A solid scale sample obtained from well Luna-3B was analysed. Analysis indicate the presence of calcite, anhydrite, fluorite and sphalerite which suggest the occurrence of temperatures of at least 180 Celcius degrees with acidic conditions and high chemical corrosion potential. [Spanish] Se modelo el equilibrio quimico de aguas de formacion producidas por siete pozos petroleros pertenecientes al Activo Luna, en el estado de Tabasco, Mexico, se calcularon los indices de saturacion de minerales caracteristicos tanto en las condiciones ambiente como en las de yacimiento, con el proposito de apoyar el control de incrustaciones en las instalaciones superficiales y profundas. La salinidad de las salmueras se encontro en el rango de 43,000 (pozos Escuintle 2) a 250,000 (pozos Luna 3B) mg/kg de solidos disueltos totales y las muestras se clasificaron como del tipo clorurado-sodico. La fuerza ionica de las soluciones varia entre 0.75 y 6.5 molar, por lo que los coeficientes de actividad de la modelacion de equilibrio quimico se estimaron por metodos viriales empleando las ecuaciones de Pitzer mediante el programa GEOCHEMIST WORKBENCH (GWB). Minerales como anhidrita, halita

  12. Non-Equilibrium Thermodynamics in Conformal Field Theory

    CERN Document Server

    Hollands, Stephan

    2016-01-01

    We present a model independent, operator algebraic approach to non-equilibrium quantum thermodynamics within the framework of two-dimensional Conformal Field Theory. Two infinite reservoirs in equilibrium at their own temperatures and chemical potentials are put in contact through a defect line, possibly by inserting a probe. As time evolves, the composite system then approaches a non-equilibrium steady state that we describe. In particular, we re-obtain recent formulas of Bernard and Doyon.

  13. Blood: bone equilibrium

    Energy Technology Data Exchange (ETDEWEB)

    Neuman, M.W.

    1982-01-01

    The conundrum of blood undersaturation with respect to bone mineralization and its supersaturation with respect to bone's homeostatic function has acquired a new equation. On the supply side, Ca/sup 2 +/ is pumped in across bone cells to provide the needed Ca/sup 2 +/ x P/sub i/ for brushite precipitation. On the demand side, blood is in equilibrium with bone fluid, which is in equilibrium with a mineral more soluble than apatite. The function of potassium in this equation is yet to be found.

  14. Statistical fluctuations and correlations in hadronic equilibrium systems

    Energy Technology Data Exchange (ETDEWEB)

    Hauer, Michael

    2010-06-17

    This thesis is dedicated to the study of fluctuation and correlation observables of hadronic equilibrium systems. The statistical hadronization model of high energy physics, in its ideal, i.e. non-interacting, gas approximation is investigated in different ensemble formulations. The hypothesis of thermal and chemical equilibrium in high energy interaction is tested against qualitative and quantitative predictions. (orig.)

  15. Equilibrium CO bond lengths

    Science.gov (United States)

    Demaison, Jean; Császár, Attila G.

    2012-09-01

    Based on a sample of 38 molecules, 47 accurate equilibrium CO bond lengths have been collected and analyzed. These ultimate experimental (reEX), semiexperimental (reSE), and Born-Oppenheimer (reBO) equilibrium structures are compared to reBO estimates from two lower-level techniques of electronic structure theory, MP2(FC)/cc-pVQZ and B3LYP/6-311+G(3df,2pd). A linear relationship is found between the best equilibrium bond lengths and their MP2 or B3LYP estimates. These (and similar) linear relationships permit to estimate the CO bond length with an accuracy of 0.002 Å within the full range of 1.10-1.43 Å, corresponding to single, double, and triple CO bonds, for a large number of molecules. The variation of the CO bond length is qualitatively explained using the Atoms in Molecules method. In particular, a nice correlation is found between the CO bond length and the bond critical point density and it appears that the CO bond is at the same time covalent and ionic. Conditions which permit the computation of an accurate ab initio Born-Oppenheimer equilibrium structure are discussed. In particular, the core-core and core-valence correlation is investigated and it is shown to roughly increase with the bond length.

  16. "allometry" Deterministic Approaches in Cell Size, Cell Number and Crude Fiber Content Related to the Physical Quality of Kangkong (Ipomoea reptans) Grown Under Different Plant Density Pressures

    Science.gov (United States)

    Selamat, A.; Atiman, S. A.; Puteh, A.; Abdullah, N. A. P.; Mohamed, M. T. M.; Zulkeefli, A. A.; Othman, S.

    Kangkong, especially the upland type (Ipomoea reptans) is popularly consumed as a vegetable dish in the South East Asian countries for its quality related to Vitamins (A and C) and crude fiber contents. Higher fiber contents would prevent from the occurrence of colon cancer and diverticular disease. With young stem edible portion, its cell number and size contribute to the stem crude fiber content. The mathematical approach of allometry of cell size, number, and fiber content of stem could be used in determining the 'best' plant density pressure in producing the quality young stem to be consumed. Basically, allometry is the ratio of relative increment (growth or change) rates of two parameters, or the change rate associated to the log of measured variables relationship. Kangkog grown equal or lower than 55 plants m-2 produced bigger individual plant and good quality (physical) kangkong leafy vegetable, but with lower total yield per unit area as compared to those grown at higher densities.

  17. Shoot allometry and biomass productivity in poplar and willow varieties grown as short rotation coppice. Summary of results 1995-2000

    Energy Technology Data Exchange (ETDEWEB)

    Matthews, R.; Henshall, P.; Tubby, I.

    2003-07-01

    This report summarises the results of a 4 year study assessing shoot diameters and lengths using non-destructive measurements in order to establish allometric relationships between biomass and non-destructive measurements and also to provide estimates of increments for the development of a model of short rotation cultivation growth and yield. Details are given of the basic methodology and measurement conventions; the data preparation, quality assurance classification and storage; and shoot diameter and length assessments and allometry analyses.

  18. The dilemma of choosing a reference character for measuring sexual size dimorphism, sexual body component dimorphism, and character scaling: cryptic dimorphism and allometry in the scorpion Hadrurus arizonensis.

    Directory of Open Access Journals (Sweden)

    Gerad A Fox

    Full Text Available Sexual differences in morphology, ranging from subtle to extravagant, occur commonly in many animal species. These differences can encompass overall body size (sexual size dimorphism, SSD or the size and/or shape of specific body parts (sexual body component dimorphism, SBCD. Interacting forces of natural and sexual selection shape much of the expression of dimorphism we see, though non-adaptive processes may be involved. Differential scaling of individual features can result when selection favors either exaggerated (positive allometry or reduced (negative allometry size during growth. Studies of sexual dimorphism and character scaling rely on multivariate models that ideally use an unbiased reference character as an overall measure of body size. We explored several candidate reference characters in a cryptically dimorphic taxon, Hadrurus arizonensis. In this scorpion, essentially every body component among the 16 we examined could be interpreted as dimorphic, but identification of SSD and SBCD depended on which character was used as the reference (prosoma length, prosoma area, total length, principal component 1, or metasoma segment 1 width. Of these characters, discriminant function analysis suggested that metasoma segment 1 width was the most appropriate. The pattern of dimorphism in H. arizonensis mirrored that seen in other more obviously dimorphic scorpions, with static allometry trending towards isometry in most characters. Our findings are consistent with the conclusions of others that fecundity selection likely favors a larger prosoma in female scorpions, whereas sexual selection may favor other body parts being larger in males, especially the metasoma, pectines, and possibly the chela. For this scorpion and probably most other organisms, the choice of reference character profoundly affects interpretations of SSD, SBCD, and allometry. Thus, researchers need to broaden their consideration of an appropriate reference and exercise caution

  19. The dilemma of choosing a reference character for measuring sexual size dimorphism, sexual body component dimorphism, and character scaling: cryptic dimorphism and allometry in the scorpion Hadrurus arizonensis.

    Science.gov (United States)

    Fox, Gerad A; Cooper, Allen M; Hayes, William K

    2015-01-01

    Sexual differences in morphology, ranging from subtle to extravagant, occur commonly in many animal species. These differences can encompass overall body size (sexual size dimorphism, SSD) or the size and/or shape of specific body parts (sexual body component dimorphism, SBCD). Interacting forces of natural and sexual selection shape much of the expression of dimorphism we see, though non-adaptive processes may be involved. Differential scaling of individual features can result when selection favors either exaggerated (positive allometry) or reduced (negative allometry) size during growth. Studies of sexual dimorphism and character scaling rely on multivariate models that ideally use an unbiased reference character as an overall measure of body size. We explored several candidate reference characters in a cryptically dimorphic taxon, Hadrurus arizonensis. In this scorpion, essentially every body component among the 16 we examined could be interpreted as dimorphic, but identification of SSD and SBCD depended on which character was used as the reference (prosoma length, prosoma area, total length, principal component 1, or metasoma segment 1 width). Of these characters, discriminant function analysis suggested that metasoma segment 1 width was the most appropriate. The pattern of dimorphism in H. arizonensis mirrored that seen in other more obviously dimorphic scorpions, with static allometry trending towards isometry in most characters. Our findings are consistent with the conclusions of others that fecundity selection likely favors a larger prosoma in female scorpions, whereas sexual selection may favor other body parts being larger in males, especially the metasoma, pectines, and possibly the chela. For this scorpion and probably most other organisms, the choice of reference character profoundly affects interpretations of SSD, SBCD, and allometry. Thus, researchers need to broaden their consideration of an appropriate reference and exercise caution in interpreting

  20. Structure, dynamics, and hydration of a collagen model polypeptide, (L-prolyl-L-prolylglycyl)10, in aqueous media: a chemical equilibrium analysis of triple helix-to-single coil transition.

    Science.gov (United States)

    Shikata, Toshiyuki; Minakawa, Ayako; Okuyama, Kenji

    2009-10-29

    The structure, dynamics, and hydration behavior of a collagen model polypeptide, (L-prolyl-L-prolylglycyl)(10) (PPG10), were investigated in pure water and dilute acetic acid over a wide temperature range using broadband dielectric relaxation (DR) techniques that spanned frequencies from 1 kHz to 20 GHz. All samples showed pronounced dielectric dispersion with two major relaxation processes around 3 MHz and 20 GHz. Because DR measurements sensitively probe dipoles and their dynamics, the structures and ionization states of the carboxy and amino termini of aqueous PPG10 were precisely determined from the relaxation times and strengths in the 3 MHz frequency range. In solution, PPG10 formed mixtures of monodisperse rods as triple helices with lengths and diameters of 8.6 and 1.5 nm, respectively, and monomeric random coils with radii of approximately 1.4 nm. Ionization of the C-terminus was suppressed by the addition of acetic acid in both states. The fraction of random coils (f(coil)) was found to be a function of temperature (T) and the concentration of PPG10 (c). At low temperatures, small f(coil) values were found, which increased with temperature to reach f(coil) = 1 at approximately 60 degrees C, irrespective of c. This phenomenon, well-known as a triple helix-to-single coil transition, is discussed on the basis of the chemical reaction, (PPG10)(3) 3PPG10, with an equilibrium constant of K = 3(c/55.6)(2)f(coil)(3)(1 - f(coil))(-1). The standard enthalpy change evaluated from Arrhenius plots (ln K versus T(-1)) was found to change dramatically at the same transition temperature that was previously determined by using optical rotation experiments. The other major DR process, observed at approximately 20 GHz, was assigned to free and hydrated water molecules and used to determine the average hydration number (m) per PPG10. The m values for the triple helix and random coil state at 25 degrees C were evaluated to be m(th) = 60-70 and m(coil) = 250-270. The m

  1. Mesoscopic thermodynamics of stationary non-equilibrium states

    Energy Technology Data Exchange (ETDEWEB)

    SantamarIa-Holek, I [Facultad de Ciencias, Universidad Nacional Autonoma de Mexico, Circuito exterior de Ciudad Universitaria, 04510 DF (Mexico); RubI, J M [Facultad de FIsica, Universitat de Barcelona, Av. Diagonal 647, 08028, Barcelona (Spain); Perez-Madrid, A [Facultad de FIsica, Universitat de Barcelona, Av. Diagonal 647, 08028, Barcelona (Spain)

    2005-01-01

    Thermodynamics for systems at non-equilibrium stationary states have been formulated, based on the assumption of the existence of a local equilibrium in phase space which enables one to interpret the probability density and its conjugated non-equilibrium chemical potential as mesoscopic thermodynamic variables. The probability current is obtained from the entropy production related to the probability diffusion process and leads to the formulation of the Fokker-Planck equation. For the case of a gas of Brownian particles under steady flow in the dilute and concentrated regimes, we derive non-equilibrium equations of state.

  2. Non-equilibrium quantum heat machines

    Science.gov (United States)

    Alicki, Robert; Gelbwaser-Klimovsky, David

    2015-11-01

    Standard heat machines (engine, heat pump, refrigerator) are composed of a system (working fluid) coupled to at least two equilibrium baths at different temperatures and periodically driven by an external device (piston or rotor) sometimes called the work reservoir. The aim of this paper is to go beyond this scheme by considering environments which are stationary but cannot be decomposed into a few baths at thermal equilibrium. Such situations are important, for example in solar cells, chemical machines in biology, various realizations of laser cooling or nanoscopic machines driven by laser radiation. We classify non-equilibrium baths depending on their thermodynamic behavior and show that the efficiency of heat machines powered by them is limited by the generalized Carnot bound.

  3. Non-Equilibrium Thermodynamics in Multiphase Flows

    CERN Document Server

    Mauri, Roberto

    2013-01-01

    Non-equilibrium thermodynamics is a general framework that allows the macroscopic description of irreversible processes. This book introduces non-equilibrium thermodynamics and its applications to the rheology of multiphase flows. The subject is relevant to graduate students in chemical and mechanical engineering, physics and material science. This book is divided into two parts. The first part presents the theory of non-equilibrium thermodynamics, reviewing its essential features and showing, when possible, some applications. The second part of this book deals with how the general theory can be applied to model multiphase flows and, in particular, how to determine their constitutive relations. Each chapter contains problems at the end, the solutions of which are given at the end of the book. No prior knowledge of statistical mechanics is required; the necessary prerequisites are elements of transport phenomena and on thermodynamics. “The style of the book is mathematical, but nonetheless it remains very re...

  4. Problems in equilibrium theory

    CERN Document Server

    Aliprantis, Charalambos D

    1996-01-01

    In studying General Equilibrium Theory the student must master first the theory and then apply it to solve problems. At the graduate level there is no book devoted exclusively to teaching problem solving. This book teaches for the first time the basic methods of proof and problem solving in General Equilibrium Theory. The problems cover the entire spectrum of difficulty; some are routine, some require a good grasp of the material involved, and some are exceptionally challenging. The book presents complete solutions to two hundred problems. In searching for the basic required techniques, the student will find a wealth of new material incorporated into the solutions. The student is challenged to produce solutions which are different from the ones presented in the book.

  5. Bounded Computational Capacity Equilibrium

    CERN Document Server

    Hernandez, Penelope

    2010-01-01

    We study repeated games played by players with bounded computational power, where, in contrast to Abreu and Rubisntein (1988), the memory is costly. We prove a folk theorem: the limit set of equilibrium payoffs in mixed strategies, as the cost of memory goes to 0, includes the set of feasible and individually rational payoffs. This result stands in sharp contrast to Abreu and Rubisntein (1988), who proved that when memory is free, the set of equilibrium payoffs in repeated games played by players with bounded computational power is a strict subset of the set of feasible and individually rational payoffs. Our result emphasizes the role of memory cost and of mixing when players have bounded computational power.

  6. Equilibrium statistical mechanics

    CERN Document Server

    Jackson, E Atlee

    2000-01-01

    Ideal as an elementary introduction to equilibrium statistical mechanics, this volume covers both classical and quantum methodology for open and closed systems. Introductory chapters familiarize readers with probability and microscopic models of systems, while additional chapters describe the general derivation of the fundamental statistical mechanics relationships. The final chapter contains 16 sections, each dealing with a different application, ordered according to complexity, from classical through degenerate quantum statistical mechanics. Key features include an elementary introduction t

  7. General Search Market Equilibrium

    OpenAIRE

    Albrecht, James W.; Axell, Bo

    1982-01-01

    In this paper we extend models of “search market equilibrium” to incorporate general equilibrium considerations. The model we treat is one with a single product market and a single labor market. Imperfectly informed individuals follow optimal strategies in searching for a suitably low price and high wage. For any distribution of price and wage offers across firms these optimal strategies generate product demand and labor supply schedules. Firms then choose prices and wages to maximize expecte...

  8. Tourism Equilibrium Price Trends

    Directory of Open Access Journals (Sweden)

    Mohammad Mohebi

    2012-01-01

    Full Text Available Problem statement: A review of the tourism history shows that tourism as an industry was virtually unknown in Malaysia until the late 1960s. Since then, it has developed and grown into a major industry, making an important contribution to the country's economy. By allocating substantial funds to the promotion of tourism and the provision of the necessary infrastructure, the government has played an important role in the impressive progress of the Malaysian tourism industry. One of the important factors which can attract tourists to Malaysia is the tourism price. Has the price of tourism decreased? To answer this question, it is necessary to obtain the equilibrium prices as well as the yearly trend for Malaysia during the sample period as it will be useful for analysis of the infrastructure situation of the tourism industry in this country. The purpose of the study is to identify equilibrium tourism price trends in Malaysian tourism market. Approach: We use hotel room as representative of tourism market. Quarterly data from 1995-2009 are used and a dynamic model of simultaneous equation is employed. Results: Based on the result during the period of 1995 until 2000, the growth rate of the equilibrium price was greater than consumer price index and producer price index. Conclusion: In the Malaysian tourism market, new infrastructure during this period had not been developed to keep pace with tourist arrivals.

  9. When size makes a difference: allometry, life-history and morphological evolution of capuchins (Cebus and squirrels (Saimiri monkeys (Cebinae, Platyrrhini

    Directory of Open Access Journals (Sweden)

    Marroig Gabriel

    2007-02-01

    Full Text Available Abstract Background How are morphological evolution and developmental changes related? This rather old and intriguing question had a substantial boost after the 70s within the framework of heterochrony (changes in rates or timing of development and nowadays has the potential to make another major leap forward through the combination of approaches: molecular biology, developmental experimentation, comparative systematic studies, geometric morphometrics and quantitative genetics. Here I take an integrated approach combining life-history comparative analyses, classical and geometric morphometrics applied to ontogenetic series to understand changes in size and shape which happen during the evolution of two New World Monkeys (NWM sister genera. Results Cebus and Saimiri share the same basic allometric patterns in skull traits, a result robust to sexual and ontogenetic variation. If adults of both genera are compared in the same scale (discounting size differences most differences are small and not statistically significant. These results are consistent using both approaches, classical and geometric Morphometrics. Cebus is a genus characterized by a number of peramorphic traits (adult-like while Saimiri is a genus with paedomorphic (child like traits. Yet, the whole clade Cebinae is characterized by a unique combination of very high pre-natal growth rates and relatively slow post-natal growth rates when compared to the rest of the NWM. Morphologically Cebinae can be considered paedomorphic in relation to the other NWM. Geometric morphometrics allows the precise separation of absolute size, shape variation associated with size (allometry, and shape variation non-associated with size. Interestingly, and despite the fact that they were extracted as independent factors (principal components, evolutionary allometry (those differences in allometric shape associated with intergeneric differences and ontogenetic allometry (differences in allometric shape

  10. Noncompact Equilibrium Points and Applications

    Directory of Open Access Journals (Sweden)

    Zahra Al-Rumaih

    2012-01-01

    Full Text Available We prove an equilibrium existence result for vector functions defined on noncompact domain and we give some applications in optimization and Nash equilibrium in noncooperative game.

  11. Extended Mixed Vector Equilibrium Problems

    Directory of Open Access Journals (Sweden)

    Mijanur Rahaman

    2014-01-01

    Full Text Available We study extended mixed vector equilibrium problems, namely, extended weak mixed vector equilibrium problem and extended strong mixed vector equilibrium problem in Hausdorff topological vector spaces. Using generalized KKM-Fan theorem (Ben-El-Mechaiekh et al.; 2005, some existence results for both problems are proved in noncompact domain.

  12. Non-equilibrium thermodynamics

    CERN Document Server

    Groot, S R De

    2011-01-01

    The study of thermodynamics is especially timely today, as its concepts are being applied to problems in biology, biochemistry, electrochemistry, and engineering. This book treats irreversible processes and phenomena - non-equilibrium thermodynamics.S. R. de Groot and P. Mazur, Professors of Theoretical Physics, present a comprehensive and insightful survey of the foundations of the field, providing the only complete discussion of the fluctuating linear theory of irreversible thermodynamics. The application covers a wide range of topics: the theory of diffusion and heat conduction, fluid dyn

  13. Intersexual allometry differences and ontogenetic shifts of coloration patterns in two aquatic turtles, Graptemys oculifera and Graptemys flavimaculata

    Science.gov (United States)

    Ennen, Joshua R.; Lindeman, Peter V.; Lovich, Jeffrey E.

    2015-01-01

    Coloration can play critical roles in a species' biology. The allometry of color patterns may be useful for elucidating the evolutionary mechanisms responsible for shaping the traits. We measured characteristics relating to eight aspects of color patterns from Graptemys oculifera and G. flavimaculata to investigate the allometric differences among male, female, and unsexed juvenile specimens. Additionally, we investigated ontogenetic shifts by incorporating the unsexed juveniles into the male and female datasets. In general, male color traits were isometric (i.e., color scaled with body size), while females and juvenile color traits were hypoallometric, growing in size more slowly than the increase in body size. When we included unsexed juveniles in our male and female datasets, our linear regression analyses found all relationships to be hypoallometric and our model selection analysis found support for nonlinear models describing the relationship between body size and color patterns, suggestive of an ontogenetic shift in coloration traits for both sexes at maturity. Although color is critical for many species' biology and therefore under strong selective pressure in many other species, our results are likely explained by an epiphenomenon related to the different selection pressures on body size and growth rates between juveniles and adults and less attributable to the evolution of color patterns themselves.

  14. Allometry as evidence of sexual selection in monochromatic birds: the case of the Coscoroba Swan (Anseriformes: Anatidae

    Directory of Open Access Journals (Sweden)

    Cecilia P. Calabuig

    2013-08-01

    Full Text Available The Coscoroba Swan, Coscoroba coscoroba (Molina, 1782, is a poorly known aberrant Anserine endemic to South America. We captured adult birds (189 male, 157 female from the largest population in Brazil at the Taim Ecological Reserve, State of Rio Grande do Sul, Brazil. Different patterns between sexes can reflect differences in selection, and positive allometry may indicate that a character is sexually selected. We used body weight and 10 morphological measurements to examine allometric differences between males and females of C. coscoroba. Males were consistently larger than females. Analysis of scaling relationships against body mass showed that nostril, tail, wing and bill height were positively allometric (i.e., heavier birds had relatively larger character lengths, but there were no sexual differences in allometric slopes. However, for a given mass, mature females had longer tails, longer wings (up to metacarpophalangeal articulation and shorter heads than males. In the light of current debate in the literature, we discuss whether such positively allometric traits and sexual differences in scaling may be indicative of sexual selection. Although Coscoroba Swan is a monogamous species, increasing the size of some attributes may confer some advantage for mate selection or male-male competition and, contrary to other studies, we suggest that positively allometric slopes alone should not be considered as evidence for sexual selection of the considered traits.

  15. Home-range allometry in coral reef fishes: comparison to other vertebrates, methodological issues and management implications.

    Science.gov (United States)

    Nash, Kirsty L; Welsh, Justin Q; Graham, Nicholas A J; Bellwood, David R

    2015-01-01

    Body size has been identified as a key driver of home-range area. Despite considerable research into home-range allometry, the relatively high variability in this relationship among taxa means that the mechanisms driving this relationship are still under debate. To date, studies have predominantly focused on terrestrial taxa, and coral reef fishes in particular have received little attention. We quantitatively reviewed studies examining home range in reef fishes, and assessed the interspecific relationship between body mass and home-range area. Body mass and home range are positively related in reef fishes (slopes of 1.15-1.72), with predators having larger home ranges than herbivorous species. This may be attributed to the mobility and lower abundance of predators' food items. Coral reef fishes, and fishes in general, appear to occupy a smaller area per unit mass than terrestrial vertebrates (intercepts of -0.92 to 0.07 versus ≥1.14). This is likely linked to the relative metabolic costs of moving through water compared to air. The small home ranges of reef fishes and their apparent reluctance to cross open areas suggest that reserves aimed at protecting fish species may be more effective if located across whole reefs, even if those reefs are comparatively small, rather than if they cover subsections of contiguous reef, as home ranges in the former are less likely to cross reserve boundaries.

  16. Thermal equilibrium of goats.

    Science.gov (United States)

    Maia, Alex S C; Nascimento, Sheila T; Nascimento, Carolina C N; Gebremedhin, Kifle G

    2016-05-01

    The effects of air temperature and relative humidity on thermal equilibrium of goats in a tropical region was evaluated. Nine non-pregnant Anglo Nubian nanny goats were used in the study. An indirect calorimeter was designed and developed to measure oxygen consumption, carbon dioxide production, methane production and water vapour pressure of the air exhaled from goats. Physiological parameters: rectal temperature, skin temperature, hair-coat temperature, expired air temperature and respiratory rate and volume as well as environmental parameters: air temperature, relative humidity and mean radiant temperature were measured. The results show that respiratory and volume rates and latent heat loss did not change significantly for air temperature between 22 and 26°C. In this temperature range, metabolic heat was lost mainly by convection and long-wave radiation. For temperature greater than 30°C, the goats maintained thermal equilibrium mainly by evaporative heat loss. At the higher air temperature, the respiratory and ventilation rates as well as body temperatures were significantly elevated. It can be concluded that for Anglo Nubian goats, the upper limit of air temperature for comfort is around 26°C when the goats are protected from direct solar radiation.

  17. Statistical physics ""Beyond equilibrium

    Energy Technology Data Exchange (ETDEWEB)

    Ecke, Robert E [Los Alamos National Laboratory

    2009-01-01

    The scientific challenges of the 21st century will increasingly involve competing interactions, geometric frustration, spatial and temporal intrinsic inhomogeneity, nanoscale structures, and interactions spanning many scales. We will focus on a broad class of emerging problems that will require new tools in non-equilibrium statistical physics and that will find application in new material functionality, in predicting complex spatial dynamics, and in understanding novel states of matter. Our work will encompass materials under extreme conditions involving elastic/plastic deformation, competing interactions, intrinsic inhomogeneity, frustration in condensed matter systems, scaling phenomena in disordered materials from glasses to granular matter, quantum chemistry applied to nano-scale materials, soft-matter materials, and spatio-temporal properties of both ordinary and complex fluids.

  18. Non-equilibrium chemistry in the atmospheres of brown dwarfs

    CERN Document Server

    Saumon, D S; Freedman, R S; Lodders, K

    2002-01-01

    Carbon monoxide and ammonia have been detected in the spectrum of Gl 229B at abundances that differ substantially from those obtained from chemical equilibrium. Vertical mixing in the atmosphere is a mechanism that can drive slowly reacting species out of chemical equilibrium. We explore the effects of vertical mixing as a function of mixing efficiency and effective temperature on the chemical abundances in the atmospheres of brown dwarfs and on their spectra. The models compare favorably with the observational evidence and indicate that vertical mixing plays an important role in brown dwarf atmospheres.

  19. Exploring Equilibrium Chemistry for Hot Exoplanets

    Science.gov (United States)

    Blumenthal, Sarah; Harrington, Joseph; Mandell, Avi; Hébrard, Eric; Venot, Olivia; Cubillos, Patricio; Challener, Ryan

    2015-11-01

    It has been established that equilibrium chemistry is usually achieved deep in the atmosphere of hot Jovians where timescales are short (Line and Young 2013). Thus, equilibrium chemistry has been used as a starting point (setting initial conditions) for evaluating disequilibrium processes. We explore parameters of setting these initial conditions including departures from solar metallicity, the number of species allowed in a system, the types of species allowed in a system, and different thermodynamic libraries in an attempt to create a standard for evaluating equilibrium chemistry. NASA's open source code Chemical Equilibrium and Applications (CEA) is used to calculate model planet abundances by varying the metallicity, in the pressure regime of 0.1 to 1 bar. These results are compared to a variety of exoplanets (Teq between 600 and 2100K) qualitatively by color maps of the dayside with different temperature redistributions. Additionally, CEA (with an updated thermodynamic library) is validated with the thermochemical model presented in Venot et al. (2012) for HD 209458b and HD 189733b. This same analysis has then been extended to the cooler planet HD 97658b. Spectra are generated from both models’ abundances using the open source code transit (https://github.com/exosports/transit) using the opacities of 15 molecules. We make the updated CEA thermodyanamic library and supporting Python scripts to do the CEA analyses available open source. This work was supported by NASA Planetary Atmospheres grant NNX12AI69G.

  20. New insights into non-avian dinosaur reproduction and their evolutionary and ecological implications: linking fossil evidence to allometries of extant close relatives.

    Directory of Open Access Journals (Sweden)

    Jan Werner

    Full Text Available It has been hypothesized that a high reproductive output contributes to the unique gigantism in large dinosaur taxa. In order to infer more information on dinosaur reproduction, we established allometries between body mass and different reproductive traits (egg mass, clutch mass, annual clutch mass for extant phylogenetic brackets (birds, crocodiles and tortoises of extinct non-avian dinosaurs. Allometries were applied to nine non-avian dinosaur taxa (theropods, hadrosaurs, and sauropodomorphs for which fossil estimates on relevant traits are currently available. We found that the reproductive traits of most dinosaurs conformed to similar-sized or scaled-up extant reptiles or birds. The reproductive traits of theropods, which are considered more bird-like, were indeed consistent with birds, while the traits of sauropodomorphs conformed better to reptiles. Reproductive traits of hadrosaurs corresponded to both reptiles and birds. Excluding Massospondyluscarinatus, all dinosaurs studied had an intermediary egg to body mass relationship to reptiles and birds. In contrast, dinosaur clutch masses fitted with either the masses predicted from allometries of birds (theropods or to the masses of reptiles (all other taxa. Theropods studied had probably one clutch per year. For sauropodomorphs and hadrosaurs, more than one clutch per year was predicted. Contrary to current hypotheses, large dinosaurs did not have exceptionally high annual egg numbers (AEN. Independent of the extant model, the estimated dinosaur AEN did not exceed 850 eggs (75,000 kg sauropod for any of the taxa studied. This estimated maximum is probably an overestimation due to unrealistic assumptions. According to most AEN estimations, the dinosaurs studied laid less than 200 eggs per year. Only some AEN estimates obtained for medium to large sized sauropods were higher (200-400 eggs. Our results provide new (testable hypotheses, especially for reproductive traits that are insufficiently

  1. New insights into non-avian dinosaur reproduction and their evolutionary and ecological implications: linking fossil evidence to allometries of extant close relatives.

    Science.gov (United States)

    Werner, Jan; Griebeler, Eva Maria

    2013-01-01

    It has been hypothesized that a high reproductive output contributes to the unique gigantism in large dinosaur taxa. In order to infer more information on dinosaur reproduction, we established allometries between body mass and different reproductive traits (egg mass, clutch mass, annual clutch mass) for extant phylogenetic brackets (birds, crocodiles and tortoises) of extinct non-avian dinosaurs. Allometries were applied to nine non-avian dinosaur taxa (theropods, hadrosaurs, and sauropodomorphs) for which fossil estimates on relevant traits are currently available. We found that the reproductive traits of most dinosaurs conformed to similar-sized or scaled-up extant reptiles or birds. The reproductive traits of theropods, which are considered more bird-like, were indeed consistent with birds, while the traits of sauropodomorphs conformed better to reptiles. Reproductive traits of hadrosaurs corresponded to both reptiles and birds. Excluding Massospondyluscarinatus, all dinosaurs studied had an intermediary egg to body mass relationship to reptiles and birds. In contrast, dinosaur clutch masses fitted with either the masses predicted from allometries of birds (theropods) or to the masses of reptiles (all other taxa). Theropods studied had probably one clutch per year. For sauropodomorphs and hadrosaurs, more than one clutch per year was predicted. Contrary to current hypotheses, large dinosaurs did not have exceptionally high annual egg numbers (AEN). Independent of the extant model, the estimated dinosaur AEN did not exceed 850 eggs (75,000 kg sauropod) for any of the taxa studied. This estimated maximum is probably an overestimation due to unrealistic assumptions. According to most AEN estimations, the dinosaurs studied laid less than 200 eggs per year. Only some AEN estimates obtained for medium to large sized sauropods were higher (200-400 eggs). Our results provide new (testable) hypotheses, especially for reproductive traits that are insufficiently documented

  2. Calculation of individual isotope equilibrium constants for geochemical reactions

    Science.gov (United States)

    Thorstenson, D.C.; Parkhurst, D.L.

    2004-01-01

    Theory is derived from the work of Urey (Urey H. C. [1947] The thermodynamic properties of isotopic substances. J. Chem. Soc. 562-581) to calculate equilibrium constants commonly used in geochemical equilibrium and reaction-transport models for reactions of individual isotopic species. Urey showed that equilibrium constants of isotope exchange reactions for molecules that contain two or more atoms of the same element in equivalent positions are related to isotope fractionation factors by ?? = (Kex)1/n, where n is the number of atoms exchanged. This relation is extended to include species containing multiple isotopes, for example 13C16O18O and 1H2H18O. The equilibrium constants of the isotope exchange reactions can be expressed as ratios of individual isotope equilibrium constants for geochemical reactions. Knowledge of the equilibrium constant for the dominant isotopic species can then be used to calculate the individual isotope equilibrium constants. Individual isotope equilibrium constants are calculated for the reaction CO2g = CO2aq for all species that can be formed from 12C, 13C, 16O, and 18O; for the reaction between 12C18 O2aq and 1H218Ol; and among the various 1H, 2H, 16O, and 18O species of H2O. This is a subset of a larger number of equilibrium constants calculated elsewhere (Thorstenson D. C. and Parkhurst D. L. [2002] Calculation of individual isotope equilibrium constants for implementation in geochemical models. Water-Resources Investigation Report 02-4172. U.S. Geological Survey). Activity coefficients, activity-concentration conventions for the isotopic variants of H2O in the solvent 1H216Ol, and salt effects on isotope fractionation have been included in the derivations. The effects of nonideality are small because of the chemical similarity of different isotopic species of the same molecule or ion. The temperature dependence of the individual isotope equilibrium constants can be calculated from the temperature dependence of the fractionation

  3. Mean gas opacity for circumstellar environments and equilibrium temperature degeneracy

    CERN Document Server

    Malygin, M G; Klahr, H; Dullemond, C P; Henning, Th

    2014-01-01

    In a molecular cloud dust opacity typically dominates over gas opacity, yet in the vicinities of forming stars dust is depleted, and gas is the sole provider of opacity. In the optically thin circumstellar environments the radiation temperature cannot be assumed to be equal to the gas temperature, hence the two-temperature Planck means are necessary to calculate the radiative equilibrium. By using the two-temperature mean opacity one does obtain the proper equilibrium gas temperature in a circumstellar environment, which is in a chemical equilibrium. A careful consideration of a radiative transfer problem reveals that the equilibrium temperature solution can be degenerate in an optically thin gaseous environment. We compute mean gas opacities based on the publicly available code DFSYNTHE by Kurucz and Castelli. We performed the calculations assuming local thermodynamic equilibrium and an ideal gas equation of state. The values were derived by direct integration of the high-resolution opacity spectrum. We prod...

  4. Non-Equilibrium Thermodynamics of Self-Replicating Protocells

    DEFF Research Database (Denmark)

    Fellermann, Harold; Corominas-Murtra, Bernat; Hansen, Per Lyngs

    2017-01-01

    We provide a non-equilibrium thermodynamic description of the life-cycle of a droplet based, chemically feasible, system of protocells. By coupling the protocells metabolic kinetics with its thermodynamics, we demonstrate how the system can be driven out of equilibrium to ensure protocell growth...... and replication. This coupling allows us to derive the equations of evolution and to rigorously demonstrate how growth and replication life-cycle can be understood as a non-equilibrium thermodynamic cycle. The process does not appeal to genetic information or inheritance, and is based only on non......-equilibrium physics considerations. Our non-equilibrium thermodynamic description of simple, yet realistic, processes of protocell growth and replication, represents an advance in our physical understanding of a central biological phenomenon both in connection to the origin of life and for modern biology....

  5. Equilibrium models and variational inequalities

    CERN Document Server

    Konnov, Igor

    2007-01-01

    The concept of equilibrium plays a central role in various applied sciences, such as physics (especially, mechanics), economics, engineering, transportation, sociology, chemistry, biology and other fields. If one can formulate the equilibrium problem in the form of a mathematical model, solutions of the corresponding problem can be used for forecasting the future behavior of very complex systems and, also, for correcting the the current state of the system under control. This book presents a unifying look on different equilibrium concepts in economics, including several models from related sciences.- Presents a unifying look on different equilibrium concepts and also the present state of investigations in this field- Describes static and dynamic input-output models, Walras, Cassel-Wald, spatial price, auction market, oligopolistic equilibrium models, transportation and migration equilibrium models- Covers the basics of theory and solution methods both for the complementarity and variational inequality probl...

  6. On the Local Equilibrium Principle

    CERN Document Server

    Hessling, H

    2001-01-01

    A physical system should be in a local equilibrium if it cannot be distinguished from a global equilibrium by ``infinitesimally localized measurements''. This seems to be a natural characterization of local equilibrium, however the problem is to give a precise meaning to the qualitative phrase ``infinitesimally localized measurements''. A solution is suggested in form of a {\\em Local Equilibrium Condition} (LEC) which can be applied to non-interacting quanta. The Unruh temperature of massless quanta is derived by applying LEC to an arbitrary point inside the Rindler Wedge. Massless quanta outside a hot sphere are analyzed. A stationary spherically symmetric local equilibrium does only exist according to LEC if the temperature is globally constant. Using LEC a non-trivial stationary local equilibrium is found for rotating massless quanta between two concentric cylinders of different temperatures. This shows that quanta may behave like a fluid with a B\\'enard instability.

  7. General equilibrium without utility functions

    DEFF Research Database (Denmark)

    Balasko, Yves; Tvede, Mich

    2010-01-01

    How far can we go in weakening the assumptions of the general equilibrium model? Existence of equilibrium, structural stability and finiteness of equilibria of regular economies, genericity of regular economies and an index formula for the equilibria of regular economies have been known not to re......How far can we go in weakening the assumptions of the general equilibrium model? Existence of equilibrium, structural stability and finiteness of equilibria of regular economies, genericity of regular economies and an index formula for the equilibria of regular economies have been known...... and the diffeomorphism of the equilibrium manifold with a Euclidean space; (2) the diffeomorphism of the set of no-trade equilibria with a Euclidean space; (3) the openness and genericity of the set of regular equilibria as a subset of the equilibrium manifold; (4) for small trade vectors, the uniqueness, regularity...

  8. Control of the Accumulation of Non-Process Elements in Pulp Mills with Bleach Filtrate Reuse: A Chemical Equilibrium Approach to Predicting the Partitioning of Metals in Pulp Mill and Bleach Plant Streams

    Energy Technology Data Exchange (ETDEWEB)

    Frederick, W.J. Jr.; Rudie, A.W.; Schmidl, G.W.; Sinquefield, S.A.; Rorrer, G.L.; Laver, M.L.; Yantasee, W.; Ming, D.

    2000-08-01

    The overall goal of this project was to develop fundamental, experimentally based methods for predicting the solubility or organic and inorganic matter and their interactions in recycled effluent from kraft pulp mills and bleach plants. This included: characterizing the capacity of wood pulp and dissolved organic matter to bind metal ions, developing a thermodynamic database of properties needed to describe the solubility of inorganic matter in pulp mill streams, incorporation of the database into equilibrium calculation software for predicting the solubility of the metals of interest, and evaluating its capability to predict the distribution of the metals between pulp fibers, inorganic precipitates, and solution.

  9. Line radiative transfer and statistical equilibrium*

    Directory of Open Access Journals (Sweden)

    Kamp Inga

    2015-01-01

    Full Text Available Atomic and molecular line emission from protoplanetary disks contains key information of their detailed physical and chemical structures. To unravel those structures, we need to understand line radiative transfer in dusty media and the statistical equilibrium, especially of molecules. I describe here the basic principles of statistical equilibrium and illustrate them through the two-level atom. In a second part, the fundamentals of line radiative transfer are introduced along with the various broadening mechanisms. I explain general solution methods with their drawbacks and also specific difficulties encountered in solving the line radiative transfer equation in disks (e.g. velocity gradients. I am closing with a few special cases of line emission from disks: Radiative pumping, masers and resonance scattering.

  10. Napoleon Is in Equilibrium

    Science.gov (United States)

    Phillips, Rob

    2015-03-01

    It has been said that the cell is the test tube of the twenty-first century. If so, the theoretical tools needed to quantitatively and predictively describe what goes on in such test tubes lag sorely behind the stunning experimental advances in biology seen in the decades since the molecular biology revolution began. Perhaps surprisingly, one of the theoretical tools that has been used with great success on problems ranging from how cells communicate with their environment and each other to the nature of the organization of proteins and lipids within the cell membrane is statistical mechanics. A knee-jerk reaction to the use of statistical mechanics in the description of cellular processes is that living organisms are so far from equilibrium that one has no business even thinking about it. But such reactions are probably too hasty given that there are many regimes in which, because of a separation of timescales, for example, such an approach can be a useful first step. In this article, we explore the power of statistical mechanical thinking in the biological setting, with special emphasis on cell signaling and regulation. We show how such models are used to make predictions and describe some recent experiments designed to test them. We also consider the limits of such models based on the relative timescales of the processes of interest.

  11. Rapid-Equilibrium Enzyme Kinetics

    Science.gov (United States)

    Alberty, Robert A.

    2008-01-01

    Rapid-equilibrium rate equations for enzyme-catalyzed reactions are especially useful because if experimental data can be fit by these simpler rate equations, the Michaelis constants can be interpreted as equilibrium constants. However, for some reactions it is necessary to use the more complicated steady-state rate equations. Thermodynamics is…

  12. A Multiperiod Equilibrium Pricing Model

    Directory of Open Access Journals (Sweden)

    Minsuk Kwak

    2014-01-01

    Full Text Available We propose an equilibrium pricing model in a dynamic multiperiod stochastic framework with uncertain income. There are one tradable risky asset (stock/commodity, one nontradable underlying (temperature, and also a contingent claim (weather derivative written on the tradable risky asset and the nontradable underlying in the market. The price of the contingent claim is priced in equilibrium by optimal strategies of representative agent and market clearing condition. The risk preferences are of exponential type with a stochastic coefficient of risk aversion. Both subgame perfect strategy and naive strategy are considered and the corresponding equilibrium prices are derived. From the numerical result we examine how the equilibrium prices vary in response to changes in model parameters and highlight the importance of our equilibrium pricing principle.

  13. Non-equilibrium phase transitions

    CERN Document Server

    Henkel, Malte; Lübeck, Sven

    2009-01-01

    This book describes two main classes of non-equilibrium phase-transitions: (a) static and dynamics of transitions into an absorbing state, and (b) dynamical scaling in far-from-equilibrium relaxation behaviour and ageing. The first volume begins with an introductory chapter which recalls the main concepts of phase-transitions, set for the convenience of the reader in an equilibrium context. The extension to non-equilibrium systems is made by using directed percolation as the main paradigm of absorbing phase transitions and in view of the richness of the known results an entire chapter is devoted to it, including a discussion of recent experimental results. Scaling theories and a large set of both numerical and analytical methods for the study of non-equilibrium phase transitions are thoroughly discussed. The techniques used for directed percolation are then extended to other universality classes and many important results on model parameters are provided for easy reference.

  14. Equilibrium with arbitrary market structure

    DEFF Research Database (Denmark)

    Grodal, Birgit; Vind, Karl

    2005-01-01

    Fifty years ago Arrow [1] introduced contingent commodities and Debreu [4] observed that this reinterpretation of a commodity was enough to apply the existing general equilibrium theory to uncertainty and time. This interpretation of general equilibrium theory is the Arrow-Debreu model. The compl......Fifty years ago Arrow [1] introduced contingent commodities and Debreu [4] observed that this reinterpretation of a commodity was enough to apply the existing general equilibrium theory to uncertainty and time. This interpretation of general equilibrium theory is the Arrow-Debreu model....... The complete market predicted by this theory is clearly unrealistic, and Radner [10] formulated and proved existence of equilibrium in a multiperiod model with incomplete markets. In this paper the Radner result is extended. Radner assumed a specific structure of markets, independence of preferences...

  15. Quantifying the Variability of Internode Allometry within and between Trees for Pinus tabulaeformis Carr. Using a Multilevel Nonlinear Mixed-Effect Model

    Directory of Open Access Journals (Sweden)

    Jun Diao

    2014-11-01

    Full Text Available Allometric models of internodes are an important component of Functional-Structural Plant Models (FSPMs, which represent the shape of internodes in tree architecture and help our understanding of resource allocation in organisms. Constant allometry is always assumed in these models. In this paper, multilevel nonlinear mixed-effect models were used to characterize the variability of internode allometry, describing the relationship between the last internode length and biomass of Pinus tabulaeformis Carr. trees within the GreenLab framework. We demonstrated that there is significant variability in allometric relationships at the tree and different-order branch levels, and the variability decreases among levels from trees to first-order branches and, subsequently, to second-order branches. The variability was partially explained by the random effects of site characteristics, stand age, density, and topological position of the internode. Tree- and branch-level-specific allometric models are recommended because they produce unbiased and accurate internode length estimates. The model and method developed in this study are useful for understanding and describing the structure and functioning of trees.

  16. Elements of chemical thermodynamics

    CERN Document Server

    Nash, Leonard K

    2005-01-01

    This survey of purely thermal data in calculating the position of equilibrium in a chemical reaction highlights the physical content of thermodynamics, as distinct from purely mathematical aspects. 1970 edition.

  17. TEA: A Code Calculating Thermochemical Equilibrium Abundances

    Science.gov (United States)

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

    2016-07-01

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

  18. Local thermodynamic equilibrium for globally disequilibrium open systems under stress

    Science.gov (United States)

    Podladchikov, Yury

    2016-04-01

    Predictive modeling of far and near equilibrium processes is essential for understanding of patterns formation and for quantifying of natural processes that are never in global equilibrium. Methods of both equilibrium and non-equilibrium thermodynamics are needed and have to be combined. For example, predicting temperature evolution due to heat conduction requires simultaneous use of equilibrium relationship between internal energy and temperature via heat capacity (the caloric equation of state) and disequilibrium relationship between heat flux and temperature gradient. Similarly, modeling of rocks deforming under stress, reactions in system open for the porous fluid flow, or kinetic overstepping of the equilibrium reaction boundary necessarily needs both equilibrium and disequilibrium material properties measured under fundamentally different laboratory conditions. Classical irreversible thermodynamics (CIT) is the well-developed discipline providing the working recipes for the combined application of mutually exclusive experimental data such as density and chemical potential at rest under constant pressure and temperature and viscosity of the flow under stress. Several examples will be presented.

  19. Equilibrium and Orientation in Cephalopods.

    Science.gov (United States)

    Budelmann, Bernd-Ulrich

    1980-01-01

    Describes the structure of the equilibrium receptor system in cephalopods, comparing it to the vertebrate counterpart--the vestibular system. Relates the evolution of this complex system to the competition of cephalopods with fishes. (CS)

  20. Equilibrium Electro-osmotic Instability

    CERN Document Server

    Rubinstein, Isaak

    2014-01-01

    Since its prediction fifteen years ago, electro-osmotic instability has been attributed to non-equilibrium electro-osmosis related to the extended space charge which develops at the limiting current in the course of concentration polarization at a charge-selective interface. This attribution had a double basis. Firstly, it has been recognized that equilibrium electro-osmosis cannot yield instability for a perfectly charge-selective solid. Secondly, it has been shown that non-equilibrium electro-osmosis can. First theoretical studies in which electro-osmotic instability was predicted and analyzed employed the assumption of perfect charge-selectivity for the sake of simplicity and so did the subsequent numerical studies of various time-dependent and nonlinear features of electro-osmotic instability. In this letter, we show that relaxing the assumption of perfect charge-selectivity (tantamount to fixing the electrochemical potential in the solid) allows for equilibrium electro-osmotic instability. Moreover, we s...

  1. On Generalized Vector Equilibrium Problems

    Institute of Scientific and Technical Information of China (English)

    An-hua Wan; Jun-yi Fu; Wei-hua Mao

    2006-01-01

    A new generalized vector equilibrium problem involving set-valued mappings and the proper quasi-concavity of set-valued mappings in topological vector spaces are introduced; its existence theorems and the convexity of the solution sets are established.

  2. A Strategic-Equilibrium Based

    Directory of Open Access Journals (Sweden)

    Gabriel J. Turbay

    2011-03-01

    Full Text Available The strategic equilibrium of an N-person cooperative game with transferable utility is a system composed of a cover collection of subsets of N and a set of extended imputations attainable through such equilibrium cover. The system describes a state of coalitional bargaining stability where every player has a bargaining alternative against any other player to support his corresponding equilibrium claim. Any coalition in the sable system may form and divide the characteristic value function of the coalition as prescribed by the equilibrium payoffs. If syndicates are allowed to form, a formed coalition may become a syndicate using the equilibrium payoffs as disagreement values in bargaining for a part of the complementary coalition incremental value to the grand coalition when formed. The emergent well known-constant sum derived game in partition function is described in terms of parameters that result from incumbent binding agreements. The strategic-equilibrium corresponding to the derived game gives an equal value claim to all players.  This surprising result is alternatively explained in terms of strategic-equilibrium based possible outcomes by a sequence of bargaining stages that when the binding agreements are in the right sequential order, von Neumann and Morgenstern (vN-M non-discriminatory solutions emerge. In these solutions a preferred branch by a sufficient number of players is identified: the weaker players syndicate against the stronger player. This condition is referred to as the stronger player paradox.  A strategic alternative available to the stronger players to overcome the anticipated not desirable results is to voluntarily lower his bargaining equilibrium claim. In doing the original strategic equilibrium is modified and vN-M discriminatory solutions may occur, but also a different stronger player may emerge that has eventually will have to lower his equilibrium claim. A sequence of such measures converges to the equal

  3. Dissolved and labile concentrations of Cd, Cu, Pb, and Zn in the South Fork Coeur d'Alene River, Idaho: Comparisons among chemical equilibrium models and implications for biotic ligand models

    Science.gov (United States)

    Balistrieri, L.S.; Blank, R.G.

    2008-01-01

    In order to evaluate thermodynamic speciation calculations inherent in biotic ligand models, the speciation of dissolved Cd, Cu, Pb, and Zn in aquatic systems influenced by historical mining activities is examined using equilibrium computer models and the diffusive gradients in thin films (DGT) technique. Several metal/organic-matter complexation models, including WHAM VI, NICA-Donnan, and Stockholm Humic model (SHM), are used in combination with inorganic speciation models to calculate the thermodynamic speciation of dissolved metals and concentrations of metal associated with biotic ligands (e.g., fish gills). Maximum dynamic metal concentrations, determined from total dissolved metal concentrations and thermodynamic speciation calculations, are compared with labile metal concentrations measured by DGT to assess which metal/organic-matter complexation model best describes metal speciation and, thereby, biotic ligand speciation, in the studied systems. Results indicate that the choice of model that defines metal/organic-matter interactions does not affect calculated concentrations of Cd and Zn associated with biotic ligands for geochemical conditions in the study area, whereas concentrations of Cu and Pb associated with biotic ligands depend on whether the speciation calculations use WHAM VI, NICA-Donnan, or SHM. Agreement between labile metal concentrations and dynamic metal concentrations occurs when WHAM VI is used to calculate Cu speciation and SHM is used to calculate Pb speciation. Additional work in systems that contain wide ranges in concentrations of multiple metals should incorporate analytical speciation methods, such as DGT, to constrain the speciation component of biotic ligand models. ?? 2008 Elsevier Ltd.

  4. Computing Equilibrium Free Energies Using Non-Equilibrium Molecular Dynamics

    Directory of Open Access Journals (Sweden)

    Christoph Dellago

    2013-12-01

    Full Text Available As shown by Jarzynski, free energy differences between equilibrium states can be expressed in terms of the statistics of work carried out on a system during non-equilibrium transformations. This exact result, as well as the related Crooks fluctuation theorem, provide the basis for the computation of free energy differences from fast switching molecular dynamics simulations, in which an external parameter is changed at a finite rate, driving the system away from equilibrium. In this article, we first briefly review the Jarzynski identity and the Crooks fluctuation theorem and then survey various algorithms building on these relations. We pay particular attention to the statistical efficiency of these methods and discuss practical issues arising in their implementation and the analysis of the results.

  5. Thermodynamic Derivation of the Equilibrium Distribution Functions of Statistical Mechanics.

    Science.gov (United States)

    Stoeckly, Beth

    1979-01-01

    Presents a simplified derivation of the equilibrium distribution functions. The derivation proceeds from the change in the Helmholtz free energy when a particle is added to a system of fixed temperature, volume, and chemical potential. The derivations show the relationship between statistical mechanics and macroscopic thermodynamics. (Author/GA)

  6. Spacecraft Sterilization Using Non-Equilibrium Atmospheric Pressure Plasma

    Science.gov (United States)

    Cooper, Moogega; Vaze, Nachiket; Anderson, Shawn; Fridman, Gregory; Vasilets, Victor N.; Gutsol, Alexander; Tsapin, Alexander; Fridman, Alexander

    2007-01-01

    As a solution to chemically and thermally destructive sterilization methods currently used for spacecraft, non-equilibrium atmospheric pressure plasmas are used to treat surfaces inoculated with Bacillus subtilis and Deinococcus radiodurans. Evidence of significant morphological changes and reduction in viability due to plasma exposure will be presented, including a 4-log reduction of B. subtilis after 2 minutes of dielectric barrier discharge treatment.

  7. Insights: Simple Models for Teaching Equilibrium and Le Chatelier's Principle.

    Science.gov (United States)

    Russell, Joan M.

    1988-01-01

    Presents three models that have been effective for teaching chemical equilibrium and Le Chatelier's principle: (1) the liquid transfer model, (2) the fish model, and (3) the teeter-totter model. Explains each model and its relation to Le Chatelier's principle. (MVL)

  8. On Allometry Relations

    Science.gov (United States)

    2012-07-06

    laws” and argued that they were a consequence of complex phenomena not having char - acteristic scales. Subsequent interpretations of ARs often...present a partial list of such events that includes breath time, time between heart beats, blood circulation time and time to reach sexual maturity. In...terrestrial nonvascular and vascular plant species. The annual growth in plant body biomass GT (net annual gain in dry mass per individual) and MT (total dry

  9. General equilibrium of an ecosystem.

    Science.gov (United States)

    Tschirhart, J

    2000-03-07

    Ecosystems and economies are inextricably linked: ecosystem models and economic models are not linked. Consequently, using either type of model to design policies for preserving ecosystems or improving economic performance omits important information. Improved policies would follow from a model that links the systems and accounts for the mutual feedbacks by recognizing how key ecosystem variables influence key economic variables, and vice versa. Because general equilibrium economic models already are widely used for policy making, the approach used here is to develop a general equilibrium ecosystem model which captures salient biological functions and which can be integrated with extant economic models. In the ecosystem model, each organism is assumed to be a net energy maximizer that must exert energy to capture biomass from other organisms. The exerted energies are the "prices" that are paid to biomass, and each organism takes the prices as signals over which it has no control. The maximization problem yields the organism's demand for and supply of biomass to other organisms as functions of the prices. The demands and supplies for each biomass are aggregated over all organisms in each species which establishes biomass markets wherein biomass prices are determined. A short-run equilibrium is established when all organisms are maximizing and demand equals supply in every biomass market. If a species exhibits positive (negative) net energy in equilibrium, its population increases (decreases) and a new equilibrium follows. The demand and supply forces in the biomass markets drive each species toward zero stored energy and a long-run equilibrium. Population adjustments are not based on typical Lotka-Volterra differential equations in which one entire population adjusts to another entire population thereby masking organism behavior; instead, individual organism behavior is central to population adjustments. Numerical simulations use a marine food web in Alaska to

  10. Incentives in Supply Function Equilibrium

    DEFF Research Database (Denmark)

    Vetter, Henrik

    2014-01-01

    The author analyses delegation in homogenous duopoly under the assumption that the firm-managers compete in supply functions. In supply function equilibrium, managers’ decisions are strategic complements. This reverses earlier findings in that the author finds that owners give managers incentives...... to act in an accommodating way. As a result, optimal delegation reduces per-firm output and increases profits to above-Cournot profits. Moreover, in supply function equilibrium the mode of competition is endogenous. This means that the author avoids results that are sensitive with respect to assuming...

  11. Equilibrium in a Production Economy

    Energy Technology Data Exchange (ETDEWEB)

    Chiarolla, Maria B., E-mail: maria.chiarolla@uniroma1.it [Universita di Roma ' La Sapienza' , Dipartimento di Metodi e Modelli per l' Economia, il Territorio e la Finanza, Facolta di Economia (Italy); Haussmann, Ulrich G., E-mail: uhaus@math.ubc.ca [University of British Columbia, Department of Mathematics (Canada)

    2011-06-15

    Consider a closed production-consumption economy with multiple agents and multiple resources. The resources are used to produce the consumption good. The agents derive utility from holding resources as well as consuming the good produced. They aim to maximize their utility while the manager of the production facility aims to maximize profits. With the aid of a representative agent (who has a multivariable utility function) it is shown that an Arrow-Debreu equilibrium exists. In so doing we establish technical results that will be used to solve the stochastic dynamic problem (a case with infinite dimensional commodity space so the General Equilibrium Theory does not apply) elsewhere.

  12. PROCEDURES FOR THE DERIVATION OF EQUILIBRIUM PARTITIONING SEDIMENT BENCHMARKS (ESBS) FOR THE PROTECTION OF BENTHIC ORGANISMS: COMPENDIUM OF TIER 2 VALUES FOR NONIONIC ORGANICS

    Science.gov (United States)

    This equilibrium partitioning sediment benchmark (ESB) document describes procedures to derive concentrations for 32 nonionic organic chemicals in sediment which are protective of the presence of freshwater and marine benthic organisms. The equilibrium partitioning (EqP) approach...

  13. Understanding Thermal Equilibrium through Activities

    Science.gov (United States)

    Pathare, Shirish; Huli, Saurabhee; Nachane, Madhura; Ladage, Savita; Pradhan, Hemachandra

    2015-01-01

    Thermal equilibrium is a basic concept in thermodynamics. In India, this concept is generally introduced at the first year of undergraduate education in physics and chemistry. In our earlier studies (Pathare and Pradhan 2011 "Proc. episteme-4 Int. Conf. to Review Research on Science Technology and Mathematics Education" pp 169-72) we…

  14. Risk premia in general equilibrium

    DEFF Research Database (Denmark)

    Posch, Olaf

    solutions of dynamic stochastic general equilibrium models, including a novel solution with endogenous labor supply, to obtain closed-form expressions for the risk premium in production economies. We find that the curvature of the policy functions affects the risk premium through controlling the individual...

  15. Critical evaluation of some equilibrium constants involving organophosphorus extractants

    CERN Document Server

    Marcus, Y

    2013-01-01

    Critical Evaluation of Some Equilibrium Constants Involving Organophosphorus Extractants is a supplementary text to the compilation ""Equilibrium Constants of Liquid-Liquid Distribution Reactions (Introduction, and Part I: Organophosphorus Extractants).The book contains a number of well documented chemical reactions that are critically evaluated. The reactions evaluated comprise those from List 1 for which data are available. There are, however, a great variety of reactions that cannot be critically evaluated due to lack of experimental data and unverifiable results.Chemists will find this com

  16. New theory of superfluidity. Method of equilibrium density matrix

    CERN Document Server

    Bondarev, Boris

    2014-01-01

    The variational theory of equilibrium boson system state to have been previously developed by the author under the density matrix formalism is applicable for researching equilibrium states and thermodynamic properties of the quantum Bose gas which consists of zero-spin particles. Particle pulse distribution function is obtained and duly employed for calculation of chemical potential, internal energy and gas capacity temperature dependences. It is found that specific phase transition, which is similar to transition of liquid helium to its superfluid state, occurs at the temperature exceeding that of the Bose condensation.

  17. Diluted Equilibrium Sterile Neutrino Dark Matter

    CERN Document Server

    Patwardhan, Amol V; Kishimoto, Chad T; Kusenko, Alexander

    2015-01-01

    We present a model where sterile neutrinos with rest masses in the range ~ keV to ~ MeV can be the dark matter and be consistent with all laboratory, cosmological, large scale structure, and X-ray constraints. These sterile neutrinos are assumed to freeze out of thermal and chemical equilibrium with matter and radiation in the very early universe, prior to an epoch of prodigious entropy generation ("dilution") from out-of-equilibrium decay of heavy particles. In this work, we consider heavy, entropy-producing particles in the ~ TeV to ~ EeV rest mass range, possibly associated with new physics at high energy scales. The process of dilution can give the sterile neutrinos the appropriate relic densities, but it also alters their energy spectra so that they could act like cold dark matter, despite relatively low rest masses as compared to conventional dark matter candidates. Moreover, since the model does not rely on active-sterile mixing for producing the relic density, the mixing angles can be small enough to ...

  18. Diluted equilibrium sterile neutrino dark matter

    Science.gov (United States)

    Patwardhan, Amol V.; Fuller, George M.; Kishimoto, Chad T.; Kusenko, Alexander

    2015-11-01

    We present a model where sterile neutrinos with rest masses in the range ˜keV to ˜MeV can be the dark matter and be consistent with all laboratory, cosmological, and large-scale structure, as well as x-ray constraints. These sterile neutrinos are assumed to freeze out of thermal and chemical equilibrium with matter and radiation in the very early Universe, prior to an epoch of prodigious entropy generation ("dilution") from out-of-equilibrium decay of heavy particles. In this work, we consider heavy, entropy-producing particles in the ˜TeV to ˜EeV rest-mass range, possibly associated with new physics at high-energy scales. The process of dilution can give the sterile neutrinos the appropriate relic densities, but it also alters their energy spectra so that they could act like cold dark matter, despite relatively low rest masses as compared to conventional dark matter candidates. Moreover, since the model does not rely on active-sterile mixing for producing the relic density, the mixing angles can be small enough to evade current x-ray or lifetime constraints. Nevertheless, we discuss how future x-ray observations, future lepton number constraints, and future observations and sophisticated simulations of large-scale structure could, in conjunction, provide evidence for this model and/or constrain and probe its parameters.

  19. Non-Equilibrium Properties from Equilibrium Free Energy Calculations

    Science.gov (United States)

    Pohorille, Andrew; Wilson, Michael A.

    2012-01-01

    Calculating free energy in computer simulations is of central importance in statistical mechanics of condensed media and its applications to chemistry and biology not only because it is the most comprehensive and informative quantity that characterizes the eqUilibrium state, but also because it often provides an efficient route to access dynamic and kinetic properties of a system. Most of applications of equilibrium free energy calculations to non-equilibrium processes rely on a description in which a molecule or an ion diffuses in the potential of mean force. In general case this description is a simplification, but it might be satisfactorily accurate in many instances of practical interest. This hypothesis has been tested in the example of the electrodiffusion equation . Conductance of model ion channels has been calculated directly through counting the number of ion crossing events observed during long molecular dynamics simulations and has been compared with the conductance obtained from solving the generalized Nernst-Plank equation. It has been shown that under relatively modest conditions the agreement between these two approaches is excellent, thus demonstrating the assumptions underlying the diffusion equation are fulfilled. Under these conditions the electrodiffusion equation provides an efficient approach to calculating the full voltage-current dependence routinely measured in electrophysiological experiments.

  20. On generalized operator quasi-equilibrium problems

    Science.gov (United States)

    Kum, Sangho; Kim, Won Kyu

    2008-09-01

    In this paper, we will introduce the generalized operator equilibrium problem and generalized operator quasi-equilibrium problem which generalize the operator equilibrium problem due to Kazmi and Raouf [K.R. Kazmi, A. Raouf, A class of operator equilibrium problems, J. Math. Anal. Appl. 308 (2005) 554-564] into multi-valued and quasi-equilibrium problems. Using a Fan-Browder type fixed point theorem in [S. Park, Foundations of the KKM theory via coincidences of composites of upper semicontinuous maps, J. Korean Math. Soc. 31 (1994) 493-519] and an existence theorem of equilibrium for 1-person game in [X.-P. Ding, W.K. Kim, K.-K. Tan, Equilibria of non-compact generalized games with L*-majorized preferences, J. Math. Anal. Appl. 164 (1992) 508-517] as basic tools, we prove new existence theorems on generalized operator equilibrium problem and generalized operator quasi-equilibrium problem which includes operator equilibrium problems.

  1. TEA: A Code for Calculating Thermochemical Equilibrium Abundances

    CERN Document Server

    Blecic, Jasmina; Bowman, M Oliver

    2015-01-01

    We present an open-source Thermochemical Equilibrium Abundances (TEA) code that calculates the abundances of gaseous molecular species. The code is based on the methodology of White et al. (1958) and Eriksson (1971). It applies Gibbs free-energy minimization using an iterative, Lagrangian optimization scheme. Given elemental abundances, TEA calculates molecular abundances for a particular temperature and pressure or a list of temperature-pressure pairs. We tested the code against the method of Burrows & Sharp (1999), the free thermochemical equilibrium code CEA (Chemical Equilibrium with Applications), and the example given by White et al. (1958). Using their thermodynamic data, TEA reproduces their final abundances, but with higher precision. We also applied the TEA abundance calculations to models of several hot-Jupiter exoplanets, producing expected results. TEA is written in Python in a modular format. There is a start guide, a user manual, and a code document in addition to this theory paper. TEA is ...

  2. Interspecies scaling of excretory amounts using allometry - retrospective analysis with rifapentine, aztreonam, carumonam, pefloxacin, miloxacin, trovafloxacin, doripenem, imipenem, cefozopran, ceftazidime, linezolid for urinary excretion and rifapentine, cabotegravir, and dolutegravir for fecal excretion.

    Science.gov (United States)

    Srinivas, Nuggehally R

    2016-09-01

    1. Interspecies allometry scaling for prediction of human excretory amounts in urine or feces was performed for numerous antibacterials. Antibacterials used for urinary scaling were: rifapentine, pefloxacin, trovafloxacin (Gr1/low; 50%). Rifapentine, cabotegravir, and dolutegravir was used for fecal scaling (high; >50%). 2. The employment of allometry equation: Y = aW(b) enabled scaling of urine/fecal amounts from animal species. Corresponding predicted amounts were converted into % recovery by considering the respective human dose. Comparison of predicted/observed values enabled fold difference and error calculations (mean absolute error [MAE] and root mean square error [RMSE]). Comparisons were made for urinary/fecal data; and qualitative assessment was made amongst Gr1/Gr2/Gr3 for urine. 3. Average correlation coefficient for the allometry scaling was >0.995. Excretory amount predictions were largely within 0.75- to 1.5-fold differences. Average MAE and RMSE were within ±22% and 23%, respectively. Although robust predictions were achieved for higher urinary/fecal excretion (>50%), interspecies scaling was applicable for low/medium excretory drugs. 4. Based on the data, interspecies scaling of urine or fecal excretory amounts may be potentially used as a tool to understand the significance of either urinary or fecal routes of elimination in humans in early development.

  3. Non-Equilibrium Effects on Hypersonic Turbulent Boundary Layers

    Science.gov (United States)

    Kim, Pilbum

    Understanding non-equilibrium effects of hypersonic turbulent boundary layers is essential in order to build cost efficient and reliable hypersonic vehicles. It is well known that non-equilibrium effects on the boundary layers are notable, but our understanding of the effects are limited. The overall goal of this study is to improve the understanding of non-equilibrium effects on hypersonic turbulent boundary layers. A new code has been developed for direct numerical simulations of spatially developing hypersonic turbulent boundary layers over a flat plate with finite-rate reactions. A fifth-order hybrid weighted essentially non-oscillatory scheme with a low dissipation finite-difference scheme is utilized in order to capture stiff gradients while resolving small motions in turbulent boundary layers. The code has been validated by qualitative and quantitative comparisons of two different simulations of a non-equilibrium flow and a spatially developing turbulent boundary layer. With the validated code, direct numerical simulations of four different hypersonic turbulent boundary layers, perfect gas and non-equilibrium flows of pure oxygen and nitrogen, have been performed. In order to rule out uncertainties in comparisons, the same inlet conditions are imposed for each species, and then mean and turbulence statistics as well as near-wall turbulence structures are compared at a downstream location. Based on those comparisons, it is shown that there is no direct energy exchanges between internal and turbulent kinetic energies due to thermal and chemical non-equilibrium processes in the flow field. Instead, these non-equilibria affect turbulent boundary layers by changing the temperature without changing the main characteristics of near-wall turbulence structures. This change in the temperature induces the changes in the density and viscosity and the mean flow fields are then adjusted to satisfy the conservation laws. The perturbation fields are modified according to

  4. 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

  5. Holding Costs and Equilibrium Arbitrage

    OpenAIRE

    Tuckman, Bruce; Vila, Jean-Luc

    1993-01-01

    This paper constructs a dynamic model of the equilibrium determination of relative prices when arbitragers face holding costs. The major findings are that 1) models based on riskless arbitrage arguments alone may not provide usefully tight bounds on observed prices, 2) arbitragers are often most effective in eliminating the mispricings of shorter-term assets, 3) arbitrage activity increases the mean reversion of changes in the mispricing process and reduces their conditional volatility, and 4...

  6. An introduction to equilibrium thermodynamics

    CERN Document Server

    Morrill, Bernard; Hartnett, James P; Hughes, William F

    1973-01-01

    An Introduction to Equilibrium Thermodynamics discusses classical thermodynamics and irreversible thermodynamics. It introduces the laws of thermodynamics and the connection between statistical concepts and observable macroscopic properties of a thermodynamic system. Chapter 1 discusses the first law of thermodynamics while Chapters 2 through 4 deal with statistical concepts. The succeeding chapters describe the link between entropy and the reversible heat process concept of entropy; the second law of thermodynamics; Legendre transformations and Jacobian algebra. Finally, Chapter 10 provides a

  7. Korshunov instantons out of equilibrium

    Science.gov (United States)

    Titov, M.; Gutman, D. B.

    2016-04-01

    Zero-dimensional dissipative action possesses nontrivial minima known as Korshunov instantons. They have been known so far only for imaginary time representation that is limited to equilibrium systems. In this work we reconstruct and generalise Korshunov instantons using real-time Keldysh approach. This allows us to formulate the dissipative action theory for generic nonequilibrium conditions. Possible applications of the theory to transport in strongly biased quantum dots are discussed.

  8. Monetary policy as equilibrium selection

    OpenAIRE

    Gaetano Antinolfi; Costas Azariadis; Bullard, James B.

    2007-01-01

    Can monetary policy guide expectations toward desirable outcomes when equilibrium and welfare are sensitive to alternative, commonly held rational beliefs? This paper studies this question in an exchange economy with endogenous debt limits in which dynamic complementarities between dated debt limits support two Pareto-ranked steady states: a suboptimal, locally stable autarkic state and a constrained optimal, locally unstable trading state. The authors identify feedback policies that reverse ...

  9. Local equilibrium in bird flocks

    Science.gov (United States)

    Mora, Thierry; Walczak, Aleksandra M.; Del Castello, Lorenzo; Ginelli, Francesco; Melillo, Stefania; Parisi, Leonardo; Viale, Massimiliano; Cavagna, Andrea; Giardina, Irene

    2016-12-01

    The correlated motion of flocks is an example of global order emerging from local interactions. An essential difference with respect to analogous ferromagnetic systems is that flocks are active: animals move relative to each other, dynamically rearranging their interaction network. This non-equilibrium characteristic has been studied theoretically, but its impact on actual animal groups remains to be fully explored experimentally. Here, we introduce a novel dynamical inference technique, based on the principle of maximum entropy, which accommodates network rearrangements and overcomes the problem of slow experimental sampling rates. We use this method to infer the strength and range of alignment forces from data of starling flocks. We find that local bird alignment occurs on a much faster timescale than neighbour rearrangement. Accordingly, equilibrium inference, which assumes a fixed interaction network, gives results consistent with dynamical inference. We conclude that bird orientations are in a state of local quasi-equilibrium over the interaction length scale, providing firm ground for the applicability of statistical physics in certain active systems.

  10. Mesoscopic non-equilibrium thermodynamics

    Directory of Open Access Journals (Sweden)

    Rubi, Jose' Miguel

    2008-02-01

    Full Text Available Basic concepts like energy, heat, and temperature have acquired a precise meaning after the development of thermodynamics. Thermodynamics provides the basis for understanding how heat and work are related and with the general rules that the macroscopic properties of systems at equilibrium follow. Outside equilibrium and away from macroscopic regimes most of those rules cannot be applied directly. In this paper we present recent developments that extend the applicability of thermodynamic concepts deep into mesoscopic and irreversible regimes. We show how the probabilistic interpretation of thermodynamics together with probability conservation laws can be used to obtain kinetic equations describing the evolution of the relevant degrees of freedom. This approach provides a systematic method to obtain the stochastic dynamics of a system directly from the knowledge of its equilibrium properties. A wide variety of situations can be studied in this way, including many that were thought to be out of reach of thermodynamic theories, such as non-linear transport in the presence of potential barriers, activated processes, slow relaxation phenomena, and basic processes in biomolecules, like translocation and stretching.

  11. On static equilibrium and balance puzzler

    CERN Document Server

    Dey, Samrat; Saikia, Dipankar; Kalita, Deepjyoti; Debbarma, Anamika; Wahab, Shaheen Akhtar; Sarma, Saurabh

    2012-01-01

    The principles of static equilibrium are of special interest to civil engineers. For a rigid body to be in static equilibrium the condition is that net force and net torque acting on the body should be zero. That clearly signifies that if equal weights are placed on either sides of a balance, the balance should be in equilibrium, even if its beam is not horizontal (we have considered the beam to be straight and have no thickness, an ideal case). Thus, although the weights are equal, they will appear different which is puzzling. This also shows that the concept of equilibrium is confusing, especially neutral equilibrium is confused to be stable equilibrium. The study not only throws more light on the concept of static equilibrium, but also clarifies that a structure need not be firm and steady even if it is in static equilibrium.

  12. Equilibrium thermodynamics - Callen’s postulational approach

    NARCIS (Netherlands)

    Jongschaap, Robert J.J.; Öttinger, Hans Christian

    2001-01-01

    In order to provide the background for nonequilibrium thermodynamics, we outline the fundamentals of equilibrium thermodynamics. Equilibrium thermodynamics must not only be obtained as a special case of any acceptable nonequilibrium generalization but, through its shining example, it also elucidates

  13. The concept of equilibrium in organization theory

    NARCIS (Netherlands)

    Gazendam, Henk W.M.

    1997-01-01

    Many organization theories consist of an interpretation frame and an idea about the ideal equilibrium state. This article explains how the equilibrium concept is used in four organization theories: the theories of Fayol, Mintzberg, Morgan, and Volberda. Equilibrium can be defined as balance, fit or

  14. The concept of equilibrium in organization theory

    NARCIS (Netherlands)

    Gazendam, Henk W.M.

    1998-01-01

    Many organization theories consist of an interpretation frame and an idea about the ideal equilibrium state. This article explains how the equilibrium concept is used in four organization theories: the theories of Fayol, Mintzberg, Morgan, and Volberda. Equilibrium can be defined as balance, fit or

  15. Open problems in non-equilibrium physics

    Energy Technology Data Exchange (ETDEWEB)

    Kusnezov, D.

    1997-09-22

    The report contains viewgraphs on the following: approaches to non-equilibrium statistical mechanics; classical and quantum processes in chaotic environments; classical fields in non-equilibrium situations: real time dynamics at finite temperature; and phase transitions in non-equilibrium conditions.

  16. Equilibrium figures of dwarf planets

    Science.gov (United States)

    Rambaux, Nicolas; Chambat, Frederic; Castillo-Rogez, Julie; Baguet, Daniel

    2016-10-01

    Dwarf planets including transneptunian objects (TNO) and Ceres are >500 km large and display a spheroidal shape. These protoplanets are left over from the formation of the solar System about 4.6 billion years ago and their study could improve our knowledge of the early solar system. They could be formed in-situ or migrated to their current positions as a consequence of large-scale solar system dynamical evolution. Quantifying their internal composition would bring constraints on their accretion environment and migration history. That information may be inferred from studying their global shapes from stellar occultations or thermal infrared imaging. Here we model the equilibrium shapes of isolated dwarf planets under the assumption of hydrostatic equilibrium that forms the basis for interpreting shape data in terms of interior structure. Deviations from hydrostaticity can shed light on the thermal and geophysical history of the bodies. The dwarf planets are generally fast rotators spinning in few hours, so their shape modeling requires numerically integration with Clairaut's equations of rotational equilibrium expanded up to third order in a small parameter m, the geodetic parameter, to reach an accuracy better than a few kilometers depending on the spin velocity and mean density. We also show that the difference between a 500-km radius homogeneous model described by a MacLaurin ellipsoid and a stratified model assuming silicate and ice layers can reach several kilometers in the long and short axes, which could be measurable. This type of modeling will be instrumental in assessing hydrostaticity and thus detecting large non-hydrostatic contributions in the observed shapes.

  17. The sex-limited effects of mutations in the EGFR and TGF-β signaling pathways on shape and size sexual dimorphism and allometry in the Drosophila wing.

    Science.gov (United States)

    Testa, Nicholas D; Dworkin, Ian

    2016-06-01

    Much of the morphological diversity in nature-including among sexes within a species-is a direct consequence of variation in size and shape. However, disentangling variation in sexual dimorphism for both shape (SShD), size (SSD), and their relationship with one another remains complex. Understanding how genetic variation influences both size and shape together, and how this in turn influences SSD and SShD, is challenging. In this study, we utilize Drosophila wing size and shape as a model system to investigate how mutations influence size and shape as modulated by sex. Previous work has demonstrated that mutations in epidermal growth factor receptor (EGFR) and transforming growth factor-β (TGF-β) signaling components can influence both wing size and shape. In this study, we re-analyze this data to specifically address how they impact the relationship between size and shape in a sex-specific manner, in turn altering the pattern of sexual dimorphism. While most mutations influence shape overall, only a subset have a genotypic specific effect that influences SShD. Furthermore, while we observe sex-specific patterns of allometric shape variation, the effects of most mutations on allometry tend to be small. We discuss this within the context of using mutational analysis to understand sexual size and shape dimorphism.

  18. The relationship between circulating ecdysteroids and chela allometry in male tanner crabs: Evidence for a terminal molt in the genus Chionoecetes

    Science.gov (United States)

    Tamone, S.L.; Taggart, S.J.; Andrews, A.G.; Mondragon, J.; Nielsen, J.K.

    2007-01-01

    Whether male Tanner crabs, Chionoecetes bairdi, undergo a terminal molt associated with a change in claw allometry has long been debated. We measured molting hormone levels in captured male C. bairdi to assess the potential for molting. We plotted a frequency histogram of chela height to carapace width ratios and found a bimodal distribution of crabs with a ratio of approximately 0.18 separating the two modes. Male crabs with a ratio less than 0.18 were classified as "small-clawed" (SC) while crabs with a ratio greater than 0.18 were classified as "large-clawed" (LC). Circulating molting hormones between SC and LC crabs were compared. Significantly lower ecdysteroid levels were found in LC crabs, indicating that this morphotype had negligible potential for molting. Circulating ecdysteroids were measured in SC males of different shell conditions (soft, new, old, and very old) and no significant differences were found. This research suggests that the molt to LC morphology is a terminal molt. The results from this study have important implications for fisheries management because sub-legal LC males will not recruit into the fishery and removal of larger males may have long term effects on population size structure.

  19. Boson spectra and correlations for thermal locally equilibrium systems

    CERN Document Server

    Sinyukov, Yu M

    1999-01-01

    The single- and multi- particle inclusive spectra for strongly inhomogeneous thermal boson systems are studied using the method of statistical operator. The thermal Wick's theorem is generalized and the analytical solution of the problem for an boost-invariant expanding boson gas is found. The results demonstrate the effects of inhomogeneity for such a system: the spectra and correlations for particles with wave-lengths larger than the system's homogeneity lengths change essentially as compared with the results based on the local Bose-Einstein thermal distributions. The effects noticeable grow for overpopulated media, where the chemical potential associated with violation of chemical equilibrium is large enough.

  20. Equilibrium composition for the reaction of plutonium hydride with air

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    There are six independent constituents with 4 chemical elements, i.e. PuH2.7(s), PuN(s), Pu2O3(s), N2, O2 and H2, therefore , the system described involves of 2 independent reactions ,both those of the experimental, which indicates that the chemical equilibrium is nearly completely approached. Therefore, it is believed that the reaction rate of plutonium hydride with air is extremely rapid. The present paper has briefly discussed the simultaneous reactions and its thermodynamic coupling effect.

  1. Pre-equilibrium plasma dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Heinz, U.

    1986-01-01

    Approaches towards understanding and describing the pre-equilibrium stage of quark-gluon plasma formation in heavy-ion collisions are reviewed. Focus is on a kinetic theory approach to non-equilibrium dynamics, its extension to include the dynamics of color degrees of freedom when applied to the quark-gluon plasma, its quantum field theoretical foundations, and its relationship to both the particle formation stage at the very beginning of the nuclear collision and the hydrodynamic stage at late collision times. The usefulness of this approach to obtain the transport coefficients in the quark-gluon plasma and to derive the collective mode spectrum and damping rates in this phase are discussed. Comments are made on the general difficulty to find appropriated initial conditions to get the kinetic theory started, and a specific model is given that demonstrates that, once given such initial conditions, the system can be followed all the way through into the hydrodynamical regime. 39 refs., 7 figs. (LEW)

  2. A general framework for ion equilibrium calculations in compacted bentonite

    Science.gov (United States)

    Birgersson, Martin

    2017-03-01

    An approach for treating chemical equilibrium between compacted bentonite and aqueous solutions is presented. The treatment is based on conceptualizing bentonite as a homogeneous mixture of water and montmorillonite, and assumes Gibbs-Donnan membrane equilibrium across interfaces to external solutions. An equation for calculating the electrostatic potential difference between bentonite and external solution (Donnan potential) is derived and solved analytically for some simple systems. The solutions are furthermore analyzed in order to illuminate the general mechanisms of ion equilibrium and their relation to measurable quantities. A method is suggested for estimating interlayer activity coefficients based on the notion of an interlayer ionic strength. Using this method, several applications of the framework are presented, giving a set of quantitative predictions which may be relatively simply tested experimentally, e.g.: (1) the relative amount of anions entering the bentonite depends approximately on the square-root of the external concentration for a 1:2 salt (e.g. CaCl2). For a 1:1 salt (e.g. NaCl) the dependence is approximately linear, and for a 1:2 salt (e.g. Na2SO4) the dependence is approximately quadratic. (2) Bentonite contains substantially more nitrate as compared to chloride if equilibrated with the two salt solutions at equal external concentration. (3) Potassium bentonite generally contains more anions as compared to sodium bentonite if equilibrated at the same external concentration. (4) The anion concentration ratio in two bentonite samples of different cations (but with the same density and cation exchange capacity) resembles the ion exchange selectivity coefficient for that specific cation pair. The results show that an adequate treatment of chemical equilibrium between interlayers and bulk solutions are essential when modeling compacted bentonite, and that activity corrections generally are required for relevant ion equilibrium calculations. It

  3. Non-equilibrium chemistry and cooling in simulations of galaxy formation

    NARCIS (Netherlands)

    Richings, Alexander James

    2015-01-01

    In this thesis we used numerical simulations to explore the role that chemistry plays in galaxy formation. Simulations of galaxies often assume chemical equilibrium, where the chemical reactions between ions and molecules have reached a steady state. However, this assumption may not be valid if the

  4. Equilibrium calculations of firework mixtures

    Energy Technology Data Exchange (ETDEWEB)

    Hobbs, M.L. [Sandia National Labs., Albuquerque, NM (United States); Tanaka, Katsumi; Iida, Mitsuaki; Matsunaga, Takehiro [National Inst. of Materials and Chemical Research, Tsukuba, Ibaraki (Japan)

    1994-12-31

    Thermochemical equilibrium calculations have been used to calculate detonation conditions for typical firework components including three report charges, two display charges, and black powder which is used as a fuse or launch charge. Calculations were performed with a modified version of the TIGER code which allows calculations with 900 gaseous and 600 condensed product species at high pressure. The detonation calculations presented in this paper are thought to be the first report on the theoretical study of firework detonation. Measured velocities for two report charges are available and compare favorably to predicted detonation velocities. However, the measured velocities may not be true detonation velocities. Fast deflagration rather than an ideal detonation occurs when reactants contain significant amounts of slow reacting constituents such as aluminum or titanium. Despite such uncertainties in reacting pyrotechnics, the detonation calculations do show the complex nature of condensed phase formation at elevated pressures and give an upper bound for measured velocities.

  5. Equilibrium Analysis in Cake Cutting

    DEFF Research Database (Denmark)

    Branzei, Simina; Miltersen, Peter Bro

    2013-01-01

    Cake cutting is a fundamental model in fair division; it represents the problem of fairly allocating a heterogeneous divisible good among agents with different preferences. The central criteria of fairness are proportionality and envy-freeness, and many of the existing protocols are designed...... to guarantee proportional or envy-free allocations, when the participating agents follow the protocol. However, typically, all agents following the protocol is not guaranteed to result in a Nash equilibrium. In this paper, we initiate the study of equilibria of classical cake cutting protocols. We consider one...... of the simplest and most elegant continuous algorithms -- the Dubins-Spanier procedure, which guarantees a proportional allocation of the cake -- and study its equilibria when the agents use simple threshold strategies. We show that given a cake cutting instance with strictly positive value density functions...

  6. Ringed accretion disks: equilibrium configurations

    CERN Document Server

    Pugliese, D

    2015-01-01

    We investigate a model of ringed accretion disk, made up by several rings rotating around a supermassive Kerr black hole attractor. Each toroid of the ringed disk is governed by the General Relativity hydrodynamic Boyer condition of equilibrium configurations of rotating perfect fluids. Properties of the tori can be then determined by an appropriately defined effective potential reflecting the background Kerr geometry and the centrifugal effects. The ringed disks could be created in various regimes during the evolution of matter configurations around supermassive black holes. Therefore, both corotating and counterrotating rings have to be considered as being a constituent of the ringed disk. We provide constraints on the model parameters for the existence and stability of various ringed configurations and discuss occurrence of accretion onto the Kerr black hole and possible launching of jets from the ringed disk. We demonstrate that various ringed disks can be characterized by a maximum number of rings. We pr...

  7. Equilibrium Sampling to Determine the Thermodynamic Potential for Bioaccumulation of Persistent Organic Pollutants from Sediment

    DEFF Research Database (Denmark)

    Jahnke, Annika; MacLeod, Matthew; Wickström, Håkan

    2014-01-01

    Equilibrium partitioning (EqP) theory is currently the most widely used approach for linking sediment pollution by persistent hydrophobic organic chemicals to bioaccumulation. Most applications of the EqP approach assume (I) a generic relationship between organic carbon-normalized chemical...... concentrations in sediments and lipid-normalized concentrations in biota and (II) that bioaccumulation does not induce levels exceeding those expected from equilibrium partitioning. Here, we demonstrate that assumption I can be obviated by equilibrating a silicone sampler with chemicals in sediment, measuring...... chemical concentrations in the silicone, and applying lipid/silicone partition ratios to yield concentrations in lipid at thermodynamic equilibrium with the sediment (CLip⇌Sed). Furthermore, we evaluated the validity of assumption II by comparing CLip⇌Sed of selected persistent, bioaccumulative and toxic...

  8. A Constructive Generalization of Nash Equilibrium

    CERN Document Server

    Huang, Xiaofei

    2009-01-01

    In a society of multiple individuals, if everybody is only interested in maximizing his own payoff, will there exist any equilibrium for the society? John Nash proved more than 50 years ago that an equilibrium always exists such that nobody would benefit from unilaterally changing his strategy. Nash Equilibrium is a central concept in game theory, which offers the mathematical foundation for social science and economy. However, the original definition is declarative without including a solution to find them. It has been found later that it is computationally difficult to find a Nash equilibrium. Furthermore, a Nash equilibrium may be unstable, sensitive to the smallest variation of payoff functions. Making the situation worse, a society with selfish individuals can have an enormous number of equilibria, making it extremely hard to find out the global optimal one. This paper offers a constructive generalization of Nash equilibrium to cover the case when the selfishness of individuals are reduced to lower level...

  9. Equilibrium Solubility of CO2 in Alkanolamines

    DEFF Research Database (Denmark)

    Waseem Arshad, Muhammad; Fosbøl, Philip Loldrup; von Solms, Nicolas

    2014-01-01

    Equilibrium solubility of CO2 were measured in aqueous solutions of Monoethanolamine (MEA) and N,N-diethylethanolamine(DEEA). Equilibrium cells are generally used for these measurements. In this study, the equilibrium data were measured from the calorimetry. For this purpose a reaction calorimeter...... (model CPA 122 from ChemiSens AB, Sweden) was used. The advantage of this method is being the measurement of both heats of absorption and equilibrium solubility data of CO2 at the same time. The measurements were performed for 30 mass % MEA and 5M DEEA solutions as a function of CO2 loading at three...... different temperatures 40, 80 and 120 ºC. The measured 30 mass % MEA and 5M DEEA data were compared with the literature data obtained from different equilibrium cells which validated the use of calorimeters for equilibrium solubility measurements....

  10. A partial equilibrium theory for liquids bonded to immobile solids.

    Science.gov (United States)

    Searcy, Alan W; Beruto, Dario T; Barberis, Fabrizio

    2009-05-14

    In order to obtain consistency with the force balance theory of Young and Laplace, which quantitatively predicts the height of capillary rise from the contact angles of drops on solid surfaces, Gibbs made chemical potentials in interface functions of the integral interface free energies. We cite evidence that equilibrium chemical potentials in one-component systems are identical at interfaces to equilibrium chemical potentials in bulk phases. We evaluate two postulates. (1) Partial free energies of liquids at an interface with a solid are functions of the strength and range of attractive fields outside solid phase boundaries. (2) At equilibrium, the chemical potentials in all interfaces of a one-component liquid equal the chemical potential in its interior when the liquid is bonded to one or more immiscible solids. These postulates yield equations for partial equilibrium (PE) states of drops, films, and liquids. The PE equations yield the same prediction of the height of a meniscus from the contact angle of drops as does Young-Laplace theory and also the same dependence of the volume of capillary condensate on vapor pressure as does the Kelvin equation. But our measurements of the contact angles of water on glass and Teflon and between their close-spaced surfaces contradict the YL supposition that meniscus angles are the same as angles of drops on glass and Teflon surfaces and support the PE postulate that attraction by the external fields of solids, not meniscus curvature, is responsible for capillary rise. We use published data to illustrate the validity of the PE conclusion that divergence or convergence at the saturation pressure of a parent liquid depends on whether or not the attractive field of a solid surface imparts to the liquid more than twice the energy required to create two liquid-vapor interfaces. For divergent water films on quartz, the PE equation provides a quantitative fit to experimental data for films of any thickness greater than 1.5 nm. No

  11. Characteristics of equilibrium reaction of zolazepam.

    Science.gov (United States)

    Hong, W H; Szulczewski, D H

    1981-06-01

    The equilibrium reaction of zolazepam, a pyrazolodiazepinone, was studied and analyzed using the approach used previously for other pyrazolodiazepinone derivatives. The intrinsic ring closure equilibrium constant for this reaction was approximately 100 times larger than that observed for pyrazolodiazepinones studied previously. This study illustrates that the diazepinone ring can dominate in equilibrium mixtures formed at pH values far below the pKa of the corresponding form.

  12. Mathematical models and equilibrium in irreversible microeconomics

    Directory of Open Access Journals (Sweden)

    Anatoly M. Tsirlin

    2010-07-01

    Full Text Available A set of equilibrium states in a system consisting of economic agents, economic reservoirs, and firms is considered. Methods of irreversible microeconomics are used. We show that direct sale/purchase leads to an equilibrium state which depends upon the coefficients of supply/demand functions. To reach the unique equilibrium state it is necessary to add either monetary exchange or an intermediate firm.

  13. 1-D EQUILIBRIUM DISCRETE DIFFUSION MONTE CARLO

    Energy Technology Data Exchange (ETDEWEB)

    T. EVANS; ET AL

    2000-08-01

    We present a new hybrid Monte Carlo method for 1-D equilibrium diffusion problems in which the radiation field coexists with matter in local thermodynamic equilibrium. This method, the Equilibrium Discrete Diffusion Monte Carlo (EqDDMC) method, combines Monte Carlo particles with spatially discrete diffusion solutions. We verify the EqDDMC method with computational results from three slab problems. The EqDDMC method represents an incremental step toward applying this hybrid methodology to non-equilibrium diffusion, where it could be simultaneously coupled to Monte Carlo transport.

  14. Woody Biomass Estimation in a Southwestern U.S. Juniper Savanna Using LiDAR-Derived Clumped Tree Segmentation and Existing Allometries

    Directory of Open Access Journals (Sweden)

    Dan J. Krofcheck

    2016-05-01

    Full Text Available The rapid and accurate assessment of above ground biomass (AGB of woody vegetation is a critical component of climate mitigation strategies, land management practices and process-based models of ecosystem function. This is especially true of semi-arid ecosystems, where the high variability in precipitation and disturbance regimes can have dramatic impacts on the global carbon budget by rapidly transitioning AGB between live and dead pools. Measuring regional AGB requires scaling ground-based measurements using remote sensing, an inherently challenging task in the sparsely-vegetated, spatially-heterogeneous landscapes characteristic of semi-arid regions. Here, we test the ability of canopy segmentation and statistic generation based on aerial LiDAR (light detection and ranging-derived 3D point clouds to derive AGB in clumps of vegetation in a juniper savanna in central New Mexico. We show that single crown segmentation, often an error-prone and challenging task, is not required to produce accurate estimates of AGB. We leveraged the relationship between the volume of the segmented vegetation clumps and the equivalent stem diameter of the corresponding trees (R2 = 0.83, p < 0.001 to drive the allometry for J. monosperma on a per segment basis. Further, we showed that making use of the full 3D point cloud from LiDAR for the generation of canopy object statistics improved that relationship by including canopy segment point density as a covariate (R2 = 0.91. This work suggests the potential for LiDAR-derived estimates of AGB in spatially-heterogeneous and highly-clumped ecosystems.

  15. Limestone Calcination Nearby Equilibrium: Kinetics, CaO Crystal Structure, Sintering and Reactivity

    OpenAIRE

    Valverde, J.M.; Sánchez-Jiménez, P.E.; Pérez-Maqueda, Luis A.

    2015-01-01

    © 2015 American Chemical Society. In this work, we analyze limestone calcination kinetics at environmental conditions involving a CO2 partial pressure P close to the equilibrium pressure Peq by means of in situ X-ray diffraction (XRD) and thermogravimetric (TG) analyses. In contrast with previous empirical observations carried out mostly at conditions far from equilibrium (P/Peq « 1), our results show that the decarbonation rate decreases as the temperature in increased while P/Peq is kept co...

  16. RINGED ACCRETION DISKS: EQUILIBRIUM CONFIGURATIONS

    Energy Technology Data Exchange (ETDEWEB)

    Pugliese, D.; Stuchlík, Z., E-mail: d.pugliese.physics@gmail.com, E-mail: zdenek.stuchlik@physics.cz [Institute of Physics and Research Centre of Theoretical Physics and Astrophysics, Faculty of Philosophy and Science, Silesian University in Opava, Bezručovo náměstí 13, CZ-74601 Opava (Czech Republic)

    2015-12-15

    We investigate a model of a ringed accretion disk, made up by several rings rotating around a supermassive Kerr black hole attractor. Each toroid of the ringed disk is governed by the general relativity hydrodynamic Boyer condition of equilibrium configurations of rotating perfect fluids. Properties of the tori can then be determined by an appropriately defined effective potential reflecting the background Kerr geometry and the centrifugal effects. The ringed disks could be created in various regimes during the evolution of matter configurations around supermassive black holes. Therefore, both corotating and counterrotating rings have to be considered as being a constituent of the ringed disk. We provide constraints on the model parameters for the existence and stability of various ringed configurations and discuss occurrence of accretion onto the Kerr black hole and possible launching of jets from the ringed disk. We demonstrate that various ringed disks can be characterized by a maximum number of rings. We present also a perturbation analysis based on evolution of the oscillating components of the ringed disk. The dynamics of the unstable phases of the ringed disk evolution seems to be promising in relation to high-energy phenomena demonstrated in active galactic nuclei.

  17. Colin Rowe and ' Dynamic Equilibrium'

    Directory of Open Access Journals (Sweden)

    Pablo López Marín

    2015-05-01

    Full Text Available AbstractIn 1944 Gyorgy Kepes published what undoubtless will be his most influential text, "The language of vision". What Kepes tried to do was a guide of grammar and syntax of vision, which allows to face art as purely sensory experience or just visual, devisted of any literary , semantic or sentimental meaning.Among all the concepts that Kepes developes in his essay perhaps the most decisive one is the so called dynamic equilibrium, which is introduced in this work for fi rst time, verbalizing something that was in the air, orbiting around the entire modern plastic but far only explained in an empirical way.Colin Rowe reverberates the recent readed kepesian ideas on his own writings Transparency: Literal and Phenomenal and Neo-'Classicism' and Modern Architecture I and II, when the author tries to highlight the founding principles of the modern movement refusing the plastic  dimension of the discipline . The article will try to expose and explain this influence.

  18. Reflective Equilibrium: Epistemological or Political?

    Directory of Open Access Journals (Sweden)

    Andrew Lister

    2016-01-01

    Full Text Available One of the reasons for ongoing interest in the work of political philosopher John Rawls is that he developed novel methods for thinking systematically about the nature of justice. This paper examines the moral and epistemological motivations for Rawls’s method of “reflective equilibrium,” and the tension between them in Kai Nielsen’s use of “wide reflective equilibrium” in the service of critical and emancipatory social theory. Une des raisons de l’intérêt soutenu pour l’oeuvre du philosophe politique John Rawls est qu’il a développé de nouvelles méthodes de réflexion systématique au sujet de la nature de la justice. Cet article étudie les motifs moraux et épistémologiques soutenant la méthode d’ «équilibre réflectif» de Rawls, et les tensions entre eux dans l’utilisation par Kai Nielsen d’ «équilibre réflectif étendu» au service de la théorie sociale critique et émancipatrice.

  19. Equilibrium avalanches in spin glasses

    Science.gov (United States)

    Le Doussal, Pierre; Müller, Markus; Wiese, Kay Jörg

    2012-06-01

    We study the distribution of equilibrium avalanches (shocks) in Ising spin glasses which occur at zero temperature upon small changes in the magnetic field. For the infinite-range Sherrington-Kirkpatrick (SK) model, we present a detailed derivation of the density ρ(ΔM) of the magnetization jumps ΔM. It is obtained by introducing a multicomponent generalization of the Parisi-Duplantier equation, which allows us to compute all cumulants of the magnetization. We find that ρ(ΔM)˜ΔM-τ with an avalanche exponent τ=1 for the SK model, originating from the marginal stability (criticality) of the model. It holds for jumps of size 1≪ΔMmodel. For finite-range models, using droplet arguments, we obtain the prediction τ=(df+θ)/dm where df,dm, and θ are the fractal dimension, magnetization exponent, and energy exponent of a droplet, respectively. This formula is expected to apply to other glassy disordered systems, such as the random-field model and pinned interfaces. We make suggestions for further numerical investigations, as well as experimental studies of the Barkhausen noise in spin glasses.

  20. System of Operator Quasi Equilibrium Problems

    Directory of Open Access Journals (Sweden)

    Suhel Ahmad Khan

    2014-01-01

    Full Text Available We consider a system of operator quasi equilibrium problems and system of generalized quasi operator equilibrium problems in topological vector spaces. Using a maximal element theorem for a family of set-valued mappings as basic tool, we derive some existence theorems for solutions to these problems with and without involving Φ-condensing mappings.

  1. Approximate Equilibrium Problems and Fixed Points

    Directory of Open Access Journals (Sweden)

    H. Mazaheri

    2013-01-01

    Full Text Available We find a common element of the set of fixed points of a map and the set of solutions of an approximate equilibrium problem in a Hilbert space. Then, we show that one of the sequences weakly converges. Also we obtain some theorems about equilibrium problems and fixed points.

  2. Equilibrium Tail Distribution Due to Touschek Scattering

    Energy Technology Data Exchange (ETDEWEB)

    Nash,B.; Krinsky, S.

    2009-05-04

    Single large angle Coulomb scattering is referred to as Touschek scattering. In addition to causing particle loss when the scattered particles are outside the momentum aperture, the process also results in a non-Gaussian tail, which is an equilibrium between the Touschek scattering and radiation damping. Here we present an analytical calculation for this equilibrium distribution.

  3. The Geometry of Finite Equilibrium Datasets

    DEFF Research Database (Denmark)

    Balasko, Yves; Tvede, Mich

    We investigate the geometry of finite datasets defined by equilibrium prices, income distributions, and total resources. We show that the equilibrium condition imposes no restrictions if total resources are collinear, a property that is robust to small perturbations. We also show that the set...

  4. The geometry of finite equilibrium sets

    DEFF Research Database (Denmark)

    Balasko, Yves; Tvede, Mich

    2009-01-01

    We investigate the geometry of finite datasets defined by equilibrium prices, income distributions, and total resources. We show that the equilibrium condition imposes no restrictions if total resources are collinear, a property that is robust to small perturbations. We also show that the set...

  5. Silicone passive equilibrium samplers as ‘chemometers’ in eels and sediments of a Swedish lake

    DEFF Research Database (Denmark)

    Jahnke, Annika; Mayer, Philipp; McLachlan, Michael S.

    2014-01-01

    Passive equilibrium samplers deployed in two or more media of a system and allowed to come to equilibrium can be viewed as ‘chemometers’ that reflect the difference in chemical activities of contaminants between the media. We applied silicone-based equilibrium samplers to measure relative chemical...... activities of seven ‘indicator’ polychlorinated biphenyls (PCBs) and hexachlorobenzene in eels and sediments from a Swedish lake. Chemical concentrations in eels and sediments were also measured using exhaustive extraction methods. Lipid-normalized concentrations in eels were higher than organic carbon...... ratios is consistent with the sorptive capacity of lipids exceeding that of sediment organic carbon from this ecosystem by up to 50-fold. Factors that may contribute to the elevated activity in sediments are discussed, including slower response of sediments than water to reduced emissions, sediment...

  6. Disturbances in equilibrium function after major earthquake

    Science.gov (United States)

    Honma, Motoyasu; Endo, Nobutaka; Osada, Yoshihisa; Kim, Yoshiharu; Kuriyama, Kenichi

    2012-10-01

    Major earthquakes were followed by a large number of aftershocks and significant outbreaks of dizziness occurred over a large area. However it is unclear why major earthquake causes dizziness. We conducted an intergroup trial on equilibrium dysfunction and psychological states associated with equilibrium dysfunction in individuals exposed to repetitive aftershocks versus those who were rarely exposed. Greater equilibrium dysfunction was observed in the aftershock-exposed group under conditions without visual compensation. Equilibrium dysfunction in the aftershock-exposed group appears to have arisen from disturbance of the inner ear, as well as individual vulnerability to state anxiety enhanced by repetitive exposure to aftershocks. We indicate potential effects of autonomic stress on equilibrium function after major earthquake. Our findings may contribute to risk management of psychological and physical health after major earthquakes with aftershocks, and allow development of a new empirical approach to disaster care after such events.

  7. Economic networks in and out of equilibrium

    CERN Document Server

    Squartini, Tiziano

    2013-01-01

    Economic and financial networks play a crucial role in various important processes, including economic integration, globalization, and financial crises. Of particular interest is understanding whether the temporal evolution of a real economic network is in a (quasi-)stationary equilibrium, i.e. characterized by smooth structural changes rather than abrupt transitions. Smooth changes in quasi-equilibrium networks can be generally controlled for, and largely predicted, via an appropriate rescaling of structural quantities, while this is generally not possible for abrupt transitions in non-stationary networks. Here we study whether real economic networks are in or out of equilibrium by checking their consistency with quasi-equilibrium maximum-entropy ensembles of graphs. As illustrative examples, we consider the International Trade Network (ITN) and the Dutch Interbank Network (DIN). We show that, despite the globalization process, the ITN is an almost perfect example of quasi-equilibrium network, while the DIN ...

  8. Conjectural Equilibrium in Water-filling Games

    CERN Document Server

    Su, Yi

    2008-01-01

    This paper considers a non-cooperative game in which competing users sharing a frequency-selective interference channel selfishly optimize their power allocation in order to improve their achievable rates. Previously, it was shown that a user having the knowledge of its opponents' channel state information can make foresighted decisions and substantially improve its performance compared with the case in which it deploys the conventional iterative water-filling algorithm, which does not exploit such knowledge. This paper discusses how a foresighted user can acquire this knowledge by modeling its experienced interference as a function of its own power allocation. To characterize the outcome of the multi-user interaction, the conjectural equilibrium is introduced, and the existence of this equilibrium for the investigated water-filling game is proved. Interestingly, both the Nash equilibrium and the Stackelberg equilibrium are shown to be special cases of the generalization of conjectural equilibrium. We develop...

  9. Cosmological particle production and generalized thermodynamic equilibrium

    CERN Document Server

    Zimdahl, W

    1998-01-01

    With the help of a conformal, timelike Killing-vector we define generalized equilibrium states for cosmological fluids with particle production. For massless particles the generalized equilibrium conditions require the production rate to vanish and the well known ``global'' equilibrium of standard relativistic thermodynamics is recovered as a limiting case. The equivalence between the creation rate for particles with nonzero mass and an effective viscous fluid pressure follows as a consequence of the generalized equilibrium properties. The implications of this equivalence for the cosmological dynamics are discussed, including the possibility of a power-law inflationary behaviour. For a simple gas a microscopic derivation for such kind of equilibrium is given on the basis of relativistic kinetic theory.

  10. Spontaneity and Equilibrium: Why "?G < 0 Denotes a Spontaneous Process" and "?G = 0 Means the System Is at Equilibrium" Are Incorrect

    Science.gov (United States)

    Raff, Lionel M.

    2014-01-01

    The fundamental criteria for chemical reactions to be spontaneous in a given direction are generally incorrectly stated as ?G chemistry textbooks and even in some more advanced texts. Similarly, the criteria for equilibrium are also misstated as being ?G = 0 or ?A = 0. Following a brief review of the…

  11. Ethanol reforming in non-equilibrium plasma of glow discharge

    CERN Document Server

    Levko, D

    2012-01-01

    The results of a detailed kinetic study of the main plasma chemical processes in non-equilibrium ethanol/argon plasma are presented. It is shown that at the beginning of the discharge the molecular hydrogen is mainly generated in the reaction of ethanol H-abstraction. Later hydrogen is formed from active H, CH2OH and CH3CHOH and formaldehyde. Comparison with experimental data has shown that the used kinetic mechanism predicts well the concentrations of main species at the reactor outlet.

  12. Equilibrium morphologies and effective spring constants of capillary bridges.

    Science.gov (United States)

    Kusumaatmaja, Halim; Lipowsky, Reinhard

    2010-12-21

    We theoretically study the behavior of a liquid bridge formed between a pair of rigid and parallel plates. The plates are smooth, they may either be homogeneous or decorated by circular patches of more hydrophilic domains, and they are generally not identical. We calculate the mechanical equilibrium distance of the liquid bridge as a function of liquid volume, contact angle, and radius of the chemical domain. We show that a liquid bridge can be an equilibrium configuration as long as the sum of the contact angles at the two walls is larger than 180°. When comparisons are possible, our results agree well with recent analytical and molecular dynamics simulation results. We also derive the effective spring constant of the liquid bridge as it is perturbed from its equilibrium distance. The spring constant diverges when the sum of the contact angles is 180° and is finite otherwise. The value of the spring constant decreases with increasing contact angle and volume, and the rate at which it decreases depends strongly on the properties of the two plates.

  13. The Equilibrium Compositions of Methanol Synthesis System by Cornstalk Syngas

    Science.gov (United States)

    Zhu, Ling-feng; Zhao, Qing-ling; Wang, Yang-yang; Chen, Jing; Zhang, Le; Zhang, Run-tao; Liu, Li-li; Zhang, Zhao-yue

    2010-11-01

    Methanol can be used as a promising alternative for conventional gasoline and Diesel fuel. It is necessary to decompose biomass such as cornstalks in order to produce methanol which is a raw material from agricultural residues. A promising route for processing cornstalks is firstly to gasify cornstalks with thermo-chemical method to prepare the syngas, which can be conducted under a down-flow fixed bed gasifier. The low-heat-value cornstalk syngas produced in this way needs purification and a variety of technical procedures such as deoxygenation, desulfurization, catalytic cracking of tar and hydrogenation. In this paper, the catalytic experiments of methanol synthesis with cornstalk syngas were carried out in a tubular-flow integral and isothermal reactor. The effect such as reaction temperature, pressure, catalyst types, catalyst particle size, syngas flow at entering end and composition of syngas was investigated. Moreover, the equilibrium constants (Kf1, Kf2, KP1, KP2), equilibrium compositions and the concentrations of each part of the equilibrium system for methanol synthesis were calculated by SHBWR state equation under given reaction pressure. The results provided basic data for the design of the industrial equipments in which catalyzed synthesis of methanol from cornstalk gases is operated.

  14. Lateral interactions and non-equilibrium in surface kinetics

    Science.gov (United States)

    Menzel, Dietrich

    2016-08-01

    Work modelling reactions between surface species frequently use Langmuir kinetics, assuming that the layer is in internal equilibrium, and that the chemical potential of adsorbates corresponds to that of an ideal gas. Coverage dependences of reacting species and of site blocking are usually treated with simple power law coverage dependences (linear in the simplest case), neglecting that lateral interactions are strong in adsorbate and co-adsorbate layers which may influence kinetics considerably. My research group has in the past investigated many co-adsorbate systems and simple reactions in them. We have collected a number of examples where strong deviations from simple coverage dependences exist, in blocking, promoting, and selecting reactions. Interactions can range from those between next neighbors to larger distances, and can be quite complex. In addition, internal equilibrium in the layer as well as equilibrium distributions over product degrees of freedom can be violated. The latter effect leads to non-equipartition of energy over molecular degrees of freedom (for products) or non-equal response to those of reactants. While such behavior can usually be described by dynamic or kinetic models, the deeper reasons require detailed theoretical analysis. Here, a selection of such cases is reviewed to exemplify these points.

  15. A Multi Period Equilibrium Pricing Model

    CERN Document Server

    Pirvu, Traian A

    2012-01-01

    In this paper, we propose an equilibrium pricing model in a dynamic multi-period stochastic framework with uncertain income streams. In an incomplete market, there exist two traded risky assets (e.g. stock/commodity and weather derivative) and a non-traded underlying (e.g. temperature). The risk preferences are of exponential (CARA) type with a stochastic coefficient of risk aversion. Both time consistent and time inconsistent trading strategies are considered. We obtain the equilibriums prices of a contingent claim written on the risky asset and non-traded underlying. By running numerical experiments we examine how the equilibriums prices vary in response to changes in model parameters.

  16. Electric Current Equilibrium in the Corona

    CERN Document Server

    Filippov, Boris

    2013-01-01

    A hyperbolic flux-tube configuration containing a null point below the flux rope is considered as a pre-eruptive state of coronal mass ejections that start simultaneously with flares. We demonstrate that this configuration is unstable and cannot exist for a long time in the solar corona. The inference follows from general equilibrium conditions and from analyzing simple models of the flux-rope equilibrium. A direct consequence of the stable flux-rope equilibrium in the corona are separatrices in the horizontal-field distribution in the chromosphere. They can be recognized as specific "herring-bone structures" in a chromospheric fibril pattern.

  17. Electric Current Equilibrium in the Corona

    Science.gov (United States)

    Filippov, Boris

    2013-04-01

    A hyperbolic flux-tube configuration containing a null point below the flux rope is considered as a pre-eruptive state of coronal mass ejections that start simultaneously with flares. We demonstrate that this configuration is unstable and cannot exist for a long time in the solar corona. The inference follows from general equilibrium conditions and from analyzing simple models of the flux-rope equilibrium. A direct consequence of the stable flux-rope equilibrium in the corona are separatrices in the horizontal-field distribution in the chromosphere. They can be recognized as specific "herring-bone structures" in a chromospheric fibril pattern.

  18. Out-of-equilibrium phenomena and Transport in Cold Atoms

    Science.gov (United States)

    Giamarchi, Thierry

    Transport of particle or charge current between two reservoirs is one of the most studied phenomenon in the context of condensed matter. Despite its apparent simplicity this phenomenon is in fact a case of an out of equilibrium situation requiring in principle new theoretical tools and concepts for its solution. One way to sweep the difficulty under the rug has been usually to tackle this problem in the linear response, where one can come back to the comfortable case of equilibrium. There are however many cases when the linear response is not enough and when a full solution of the non-equilibrium problem is needed. This is in particular the case for quantum point contacts or junctions where the full current-voltage characteristics gives direct information on the physics of the problem. In the recent years, in complement to condensed matter experimental realizations, due to the full control on the parameters of the problem and the fact that they realize isolated quantum systems cold atoms have proven a fantastic laboratory to produce out of equilibrium situations. This ranges from the case of quenches, to more recently via experiments of the ETHZ group to the case of real transport between reservoirs. This experimental activity has in turn thus stimulated strongly theoretical developments in this field. I will discuss in this talk some of the recent advances and realizations both at the experimental and of course the theoretical level. I will in particular focus on a recent study which was able to realize a tunable, ballistic quantum point contact between two fermi reservoirs with a tunable interaction allowing to reach unitarity and to provide a theoretical description of the out-of equilibrium corresponding problem. In such a system the current has been shown to originate from multiple Andreev reflections which leads to a very non-linear current-chemical potential characteristics. The geometry of the contact can be changed showing a competition between

  19. Molecular Thermodynamics for Chemical Process Design

    Science.gov (United States)

    Prausnitz, J. M.

    1976-01-01

    Discusses that aspect of thermodynamics which is particularly important in chemical process design: the calculation of the equilibrium properties of fluid mixtures, especially as required in phase-separation operations. (MLH)

  20. Equilibrium Analysis for Anycast in WDM Networks

    Institute of Scientific and Technical Information of China (English)

    唐矛宁; 王汉兴

    2005-01-01

    In this paper, the wavelength-routed WDM network, was analyzed for the dynamic case where the arrival of anycast requests was modeled by a state-dependent Poisson process. The equilibrium analysis was also given with the UWNC algorithm.

  1. Effect of Ultrasound on Desorption Equilibrium

    Institute of Scientific and Technical Information of China (English)

    秦炜; 原永辉; 戴猷元

    2001-01-01

    Effects of ultrasound on intensification of separation process were investigated through the experiment of desorption equilibrium behavior. Tri-butyl phosphate (TBP) on NKA-X resin and phenol on a solvent impregnated resin, CL-TBP resin, were used for desorption processes. The desorption rate was measured with and without ultrasound. Desorption equilibrium was studied under various ultrasonic power densities or thermal infusion. Results showed that the desorption rate with ultrasound was much higher than that with normal thermal infusion. Both ultrasound and thermal infusion broke the desorption equilibrium existed at room temperature. However, after the systems were cooled down, the amount of solute desorbed in the liquid phase in the presence of ultrasound was much higher than that at the temperature corresponding to the same ultrasound power. It is proved that the initial desorption equilibrium was broken as a result of the spot energy effect of ultrasound.

  2. POSITIVE EQUILIBRIUM SOLUTIONS OF SEMILINEAR PARABOLIC EQUATIONS

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    The author studies semilinear parabolic equations with initial and periodic boundary value conditions. In the presence of non-well-ordered sub- and super-solutions:"subsolution (≤) supersolution", the existence and stability/instability of equilibrium solutions are obtained.

  3. The Theory of Variances in Equilibrium Reconstruction

    Energy Technology Data Exchange (ETDEWEB)

    Zakharov, Leonid E.; Lewandowski, Jerome; Foley, Elizabeth L.; Levinton, Fred M.; Yuh, Howard Y.; Drozdov, Vladimir; McDonald, Darren

    2008-01-14

    The theory of variances of equilibrium reconstruction is presented. It complements existing practices with information regarding what kind of plasma profiles can be reconstructed, how accurately, and what remains beyond the abilities of diagnostic systems. The σ-curves, introduced by the present theory, give a quantitative assessment of quality of effectiveness of diagnostic systems in constraining equilibrium reconstructions. The theory also suggests a method for aligning the accuracy of measurements of different physical nature.

  4. Information equilibrium as an economic principle

    OpenAIRE

    2015-01-01

    A general information equilibrium model in the case of ideal information transfer is defined and then used to derive the relationship between supply (information destination) and demand (information source) with the price as the detector of information exchange between demand and supply. We recover the properties of the traditional economic supply-demand diagram. Information equilibrium is then applied to macroeconomic problems, recovering some common macroeconomic models in particular limits...

  5. Equilibrium fluctuation energy of gyrokinetic plasma

    Energy Technology Data Exchange (ETDEWEB)

    Krommes, J.A.; Lee, W.W.; Oberman, C.

    1985-11-01

    The thermal equilibrium electric field fluctuation energy of the gyrokinetic model of magnetized plasma is computed, and found to be smaller than the well-known result (k)/8..pi.. = 1/2T/(1 + (klambda/sub D/)/sup 2/) valid for arbitrarily magnetized plasmas. It is shown that, in a certain sense, the equilibrium electric field energy is minimum in the gyrokinetic regime. 13 refs., 2 figs.

  6. OPTIMAL RESOURCE ALLOCATION IN GENERAL COURNOTCOMPETITIVE EQUILIBRIUM

    OpenAIRE

    Ervik, Inger Sommerfelt; Soegaard, Christian

    2013-01-01

    Conventional economic theory stipulates that output in Cournot competition is too low relative to that which is attained in perfect competition. We revisit this result in a General Cournot-competitive Equilibrium model with two industries that di er only in terms of productivity. We show that in general equilibrium, the more ecient industry produces too little and the less ecient industry produces too much compared to an optimal scenario with perfect competition.

  7. Closure conditions for non-equilibrium multi-component models

    Science.gov (United States)

    Müller, S.; Hantke, M.; Richter, P.

    2016-07-01

    A class of non-equilibrium models for compressible multi-component fluids in multi-dimensions is investigated taking into account viscosity and heat conduction. These models are subject to the choice of interfacial pressures and interfacial velocity as well as relaxation terms for velocity, pressure, temperature and chemical potentials. Sufficient conditions are derived for these quantities that ensure meaningful physical properties such as a non-negative entropy production, thermodynamical stability, Galilean invariance and mathematical properties such as hyperbolicity, subcharacteristic property and existence of an entropy-entropy flux pair. For the relaxation of chemical potentials, a two-component and a three-component models for vapor-water and gas-water-vapor, respectively, are considered.

  8. New Thermodynamic Paradigm of Chemical Equilibria

    CERN Document Server

    Zilbergleyt, B

    2011-01-01

    The paper presents new thermodynamic paradigm of chemical equilibrium, setting forth comprehensive basics of Discrete Thermodynamics of Chemical Equilibria (DTd). Along with previous results by the author during the last decade, this work contains also some new developments of DTd. Based on the Onsager's constitutive equations, reformulated by the author thermodynamic affinity and reaction extent, and Le Chatelier's principle, DTd brings forward a notion of chemical equilibrium as a balance of internal and external thermodynamic forces (TdF), acting against a chemical system. Basic expression of DTd is the chemical system logistic map of thermodynamic states that ties together energetic characteristics of chemical reaction, occurring in the system, the system shift from "true" thermodynamic equilibrium (TdE), and causing that shift external thermodynamic forces. Solutions to the basic map are pitchfork bifurcation diagrams in coordinates "shift from TdE - growth factor (or TdF)"; points, corresponding to the ...

  9. Analysis of non-equilibrium phenomena in inductively coupled plasma generators

    Science.gov (United States)

    Zhang, W.; Lani, A.; Panesi, M.

    2016-07-01

    This work addresses the modeling of non-equilibrium phenomena in inductively coupled plasma discharges. In the proposed computational model, the electromagnetic induction equation is solved together with the set of Navier-Stokes equations in order to compute the electromagnetic and flow fields, accounting for their mutual interaction. Semi-classical statistical thermodynamics is used to determine the plasma thermodynamic properties, while transport properties are obtained from kinetic principles, with the method of Chapman and Enskog. Particle ambipolar diffusive fluxes are found by solving the Stefan-Maxwell equations with a simple iterative method. Two physico-mathematical formulations are used to model the chemical reaction processes: (1) A Local Thermodynamics Equilibrium (LTE) formulation and (2) a thermo-chemical non-equilibrium (TCNEQ) formulation. In the TCNEQ model, thermal non-equilibrium between the translational energy mode of the gas and the vibrational energy mode of individual molecules is accounted for. The electronic states of the chemical species are assumed in equilibrium with the vibrational temperature, whereas the rotational energy mode is assumed to be equilibrated with translation. Three different physical models are used to account for the coupling of chemistry and energy transfer processes. Numerical simulations obtained with the LTE and TCNEQ formulations are used to characterize the extent of non-equilibrium of the flow inside the Plasmatron facility at the von Karman Institute. Each model was tested using different kinetic mechanisms to assess the sensitivity of the results to variations in the reaction parameters. A comparison of temperatures and composition profiles at the outlet of the torch demonstrates that the flow is in non-equilibrium for operating conditions characterized by pressures below 30 000 Pa, frequency 0.37 MHz, input power 80 kW, and mass flow 8 g/s.

  10. 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

  11. General Equilibrium Theory with Market Frictions. Part I. Quantity Equilibrium with Rational Expectations.

    Science.gov (United States)

    1978-09-01

    general equilibrium model of an economy with market fritions. A market is said to have frictions if buyers and sellers have trouble finding each other, if it is costly for them to search for each other, and if it is costly to wait to buy or sell. Equilibrium is a stationary probability distribution over the set of possible time paths of states of the economy. This equilibrium reflects rational expectations if all agents know the stationary distribution of the variables they observe and if they exploit this information. Prices are fixed and are not necessarily equilibrium

  12. Vapor-Liquid Equilibrium of Methane with Water and Methanol. Measurements and Modeling

    DEFF Research Database (Denmark)

    Frost, Michael Grynnerup; Karakatsani, Eirini; von Solms, Nicolas;

    2014-01-01

    There is a need for high-quality experimental phase equilibrium data in the petroleum and chemical industries, for example, mixtures of oil and gas with gas hydrate inhibitors (methanol, glycols) and organic acids. This includes a wide range of different systems, which all deal with processes tha...

  13. Connecting Solubility, Equilibrium, and Periodicity in a Green, Inquiry Experiment for the General Chemistry Laboratory

    Science.gov (United States)

    Cacciatore, Kristen L.; Amado, Jose; Evans, Jason J.; Sevian, Hannah

    2008-01-01

    We present a novel first-year chemistry laboratory experiment that connects solubility, equilibrium, and chemical periodicity concepts. It employs a unique format that asks students to replicate experiments described in different sample lab reports, each lacking some essential information, rather than follow a scripted procedure. This structure is…

  14. Solvents for CO2 capture. Structure-activity relationships combined with vapour-liquid-equilibrium measurements

    NARCIS (Netherlands)

    Mergler, Y.L.; Rumley-Van Gurp, R.; Brasser, P.; Koning, M.C. de; Goetheer, E.L.V.

    2011-01-01

    In this study a systematic approach was chosen to test and characterize amine systems for CO2 capture. Vapour-liquid-equilibrium measurements were performed on a homologue series of amines, with ethylene amine as base structure. Various functional groups were used that ranged in chemical and physica

  15. Using the Science Writing Heuristic to Improve Students' Understanding of General Equilibrium

    Science.gov (United States)

    Rudd, James A., II; Greenbowe, Thomas J.; Hand, Brian M.

    2007-01-01

    This study compared the performance of students using the Science Writing Heuristic (SWH) approach and students using a standard or traditional laboratory curriculum on lecture exams and a laboratory practical exam on a specific topic, chemical equilibrium. The SWH helps students do inquiry science laboratory work by structuring the laboratory…

  16. On equilibrium structures of the water molecule

    Science.gov (United States)

    Császár, Attila G.; Czakó, Gábor; Furtenbacher, Tibor; Tennyson, Jonathan; Szalay, Viktor; Shirin, Sergei V.; Zobov, Nikolai F.; Polyansky, Oleg L.

    2005-06-01

    Equilibrium structures are fundamental entities in molecular sciences. They can be inferred from experimental data by complicated inverse procedures which often rely on several assumptions, including the Born-Oppenheimer approximation. Theory provides a direct route to equilibrium geometries. A recent high-quality ab initio semiglobal adiabatic potential-energy surface (PES) of the electronic ground state of water, reported by Polyansky et al. [Polyansky et al.Science 299, 539 (2003)] and called CVRQD here, is analyzed in this respect. The equilibrium geometries resulting from this direct route are deemed to be of higher accuracy than those that can be determined by analyzing experimental data. Detailed investigation of the effect of the breakdown of the Born-Oppenheimer approximation suggests that the concept of an isotope-independent equilibrium structure holds to about 3×10-5Å and 0.02° for water. The mass-independent [Born-Oppenheimer (BO)] equilibrium bond length and bond angle on the ground electronic state PES of water is reBO=0.95782Å and θeBO=104.485°, respectively. The related mass-dependent (adiabatic) equilibrium bond length and bond angle of H2O16 is read=0.95785Å and θead=104.500°, respectively, while those of D2O16 are read=0.95783Å and θead=104.490°. Pure ab initio prediction of J =1 and 2 rotational levels on the vibrational ground state by the CVRQD PESs is accurate to better than 0.002cm-1 for all isotopologs of water considered. Elaborate adjustment of the CVRQD PESs to reproduce all observed rovibrational transitions to better than 0.05cm-1 (or the lower ones to better than 0.0035cm-1) does not result in noticeable changes in the adiabatic equilibrium structure parameters. The expectation values of the ground vibrational state rotational constants of the water isotopologs, computed in the Eckart frame using the CVRQD PESs and atomic masses, deviate from the experimentally measured ones only marginally, especially for A0 and B0. The

  17. Non-Equilibrium Transitions of Heliospheric plasma

    Science.gov (United States)

    Livadiotis, G.; McComas, D. J.

    2011-12-01

    Recent advances in Space Physics theory have established the connection between non-extensive Statistical Mechanics and space plasmas by providing a theoretical basis for the empirically derived kappa distributions commonly used to describe the phase space distribution functions of these systems [1]. The non-equilibrium temperature and the kappa index that govern these distributions are the two independent controlling parameters of non-equilibrium systems [1-3]. The significance of the kappa index is primarily given by its role in identifying the non-equilibrium stationary states, and measuring their "thermodynamic distance" from thermal equilibrium [4], while its physical meaning is connected to the correlation between the system's particles [5]. For example, analysis of the IBEX high Energetic Neutral Atom spectra [6] showed that the vast majority of measured kappa indices are between ~1.5 and ~2.5, consistent with the far-equilibrium "cavity" of minimum entropy discovered by Livadiotis & McComas [2]. Spontaneous procedures that can increase the entropy, move the system gradually toward equilibrium, that is the state with the maximum (infinite) kappa index. Other external factors that may decrease the entropy, move the system back to states further from equilibrium where the kappa indices are smaller. Newly formed pick-up ions can play this critical role in the solar wind and other space plasmas. We have analytically shown that their highly ordered motion can reduce the average entropy in the plasma beyond the termination shock, inside the inner heliosheath [7]. Non-equilibrium transitions have a key role in understanding the governing thermodynamical processes of space plasmas. References 1. Livadiotis, G., & McComas, D. J. 2009, JGR, 114, 11105. 2. Livadiotis, G., & McComas, D. J. 2010a, ApJ, 714, 971. 3. Livadiotis, G., & McComas, D. J. 2010c, in AIP Conf. Proc. 9, Pickup Ions Throughout the Heliosphere and Beyond, ed. J. LeRoux, V. Florinski, G. P. Zank, & A

  18. Self-organized crystallization mechanism of non-equilibrium 2:1 type phyllosilicate systems

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    The crystallization mechanism of 2:1 type regular interstratified minerals is investigated in views of non-equilibrium thermodynamics. The structural chemistry of relative layers and their interstratified combinations is analyzed and six kinds of non-equilibrium chemical systems have been induced. The universal laws of chemical reactions which happened in the interface region of these non-equilibrium systems have been summarized. From these laws, two reaction systems crystallizing out Tosudite and Rectorite respectively have been recovered. The kinetic model of chemical reactions has been developed by means of the mass conservation law. The oscillatory solution showing regular interstratified features has also been obtained numerically. These results indicate that the difference in original chemical composition among systems can affect the chemical connotation of reactants, intermediate products and resultants, and the flow chart of chemical reaction, but cannot change their crystallization behavior of network-forming cations, bigger and smaller network-modifying cations during crystallization. Hence, their kinetic model reflecting the universal crystallization law of these cations is just the same. These systems will crystallize out regular interstratified minerals at suitable parameters, which always exist as domain with nanometer-sized in thickness and can be called the self-organized ordering structure.

  19. Aerospace Applications of Non-Equilibrium Plasma

    Science.gov (United States)

    Blankson, Isaiah M.

    2016-01-01

    Nonequilibrium plasma/non-thermal plasma/cold plasmas are being used in a wide range of new applications in aeronautics, active flow control, heat transfer reduction, plasma-assisted ignition and combustion, noise suppression, and power generation. Industrial applications may be found in pollution control, materials surface treatment, and water purification. In order for these plasma processes to become practical, efficient means of ionization are necessary. A primary challenge for these applications is to create a desired non-equilibrium plasma in air by preventing the discharge from transitioning into an arc. Of particular interest is the impact on simulations and experimental data with and without detailed consideration of non-equilibrium effects, and the consequences of neglecting non-equilibrium. This presentation will provide an assessment of the presence and influence of non-equilibrium phenomena for various aerospace needs and applications. Specific examples to be considered will include the forward energy deposition of laser-induced non-equilibrium plasmoids for sonic boom mitigation, weakly ionized flows obtained from pulsed nanosecond discharges for an annular Hall type MHD generator duct for turbojet energy bypass, and fundamental mechanisms affecting the design and operation of novel plasma-assisted reactive systems in dielectric liquids (water purification, in-pipe modification of fuels, etc.).

  20. Allometry in dinosaurs and mammals

    Science.gov (United States)

    Lee, Scott

    2015-03-01

    The proportions of the leg bones change as the size of an animal becomes larger since the mass of the animal increases at a faster rate than the cross-sectional area of its leg bones. For the case of elastic similarity (in which the longitudinal stress in the legs remains constant in animals of all sizes), the diameter d and length L of the femur should be related as d = A L3/2. For geometric similarity (in which all dimensions are scaled by the same factor), d = A L. For animals with femora longer than 20 cm, we find the power law relationship to be d = A Lb with b = 1.13 +/- 0.06 for extant mammals (the largest mammal being Loxodonta africana with a 1.00-m-long femur) and b = 1.18 +/- 0.02 for dinosaurs (the largest dinosaur being Brachiosaurus brancai with a 2.03-m-long femur). These data show that extinct dinosaurs and extant animals scale in the same basic manner. The large sauropods (with femora twice as long as found in elephants) scale in a manner consistent with extrapolation of the scaling shown by extant mammals. These results argue that extinct dinosaurs moved in a manner very similar to extant mammals.

  1. Relativistic perfect fluids in local thermal equilibrium

    CERN Document Server

    Coll, Bartolomé; Sáez, Juan Antonio

    2016-01-01

    The inverse problem for conservative perfect fluid energy tensors provides a striking result. Namely that, in spite of its name, its historic origin or its usual conceptualization, the notion of {\\em local thermal equilibrium} for a perfect fluid is a {\\em purely hydrodynamic}, not thermodynamic, notion. This means that it may be thought, defined and detected using exclusively hydrodynamic quantities, without reference to temperature or any other thermodynamic concept, either of equilibrium or irreversible: a relativistic perfect fluid evolves in local thermal equilibrium if, and only if, its hydrodynamic variables evolve keeping a certain relation among them. This relation fixes, but only fixes, a precise fraction of the thermodynamics of the fluid, namely that relating the speed of its sound waves to the hydrodynamic variables. All thermodynamic schemes (sets of thermodynamic variables and their mutual relations) compatible with such a relation on the sole hydrodynamic variables are obtained. This hydrodyna...

  2. Module description of TOKAMAK equilibrium code MEUDAS

    Energy Technology Data Exchange (ETDEWEB)

    Suzuki, Masaei; Hayashi, Nobuhiko; Matsumoto, Taro; Ozeki, Takahisa [Japan Atomic Energy Research Inst., Naka, Ibaraki (Japan). Naka Fusion Research Establishment

    2002-01-01

    The analysis of an axisymmetric MHD equilibrium serves as a foundation of TOKAMAK researches, such as a design of devices and theoretical research, the analysis of experiment result. For this reason, also in JAERI, an efficient MHD analysis code has been developed from start of TOKAMAK research. The free boundary equilibrium code ''MEUDAS'' which uses both the DCR method (Double-Cyclic-Reduction Method) and a Green's function can specify the pressure and the current distribution arbitrarily, and has been applied to the analysis of a broad physical subject as a code having rapidity and high precision. Also the MHD convergence calculation technique in ''MEUDAS'' has been built into various newly developed codes. This report explains in detail each module in ''MEUDAS'' for performing convergence calculation in solving the MHD equilibrium. (author)

  3. The transformation dynamics towards equilibrium in non-equilibrium w/w/o double emulsions

    Science.gov (United States)

    Chao, Youchuang; Mak, Sze Yi; Shum, Ho Cheung

    2016-10-01

    We use a glass-based microfluidic device to generate non-equilibrium water-in-water-in-oil (w/w/o) double emulsions and study how they transform into equilibrium configurations. The method relies on using three immiscible liquids, with two of them from the phase-separated aqueous two-phase systems. We find that the transformation is accompanied by an expansion rim, while the characteristic transformation speed of the rim mainly depends on the interfacial tension between the innermost and middle phases, as well as the viscosity of the innermost phase when the middle phase is non-viscous. Remarkably, the viscosity of the outermost phase has little effect on the transformation speed. Our results account for the dynamics of non-equilibrium double emulsions towards their equilibrium structure and suggest a possibility to utilize the non-equilibrium drops to synthesize functional particles.

  4. Equilibrium-torus bifurcation in nonsmooth systems

    DEFF Research Database (Denmark)

    Zhusubahyev, Z.T.; Mosekilde, Erik

    2008-01-01

    Considering a set of two coupled nonautonomous differential equations with discontinuous right-hand sides describing the behavior of a DC/DC power converter, we discuss a border-collision bifurcation that can lead to the birth of a two-dimensional invariant torus from a stable node equilibrium...... linear approximation to our system in the neighbourhood of the border. We determine the functional relationships between the parameters of the normal form map and the actual system and illustrate how the normal form theory can predict the bifurcation behaviour along the border-collision equilibrium......-torus bifurcation curve....

  5. Return to equilibrium in the XY model

    Energy Technology Data Exchange (ETDEWEB)

    Hume, L.; Robinson, D.W.

    1986-09-01

    We prove that the locally perturbed XY model returns to equilibrium under the unperturbed evolution but the unperturbed model does not necessarily approach equilibrium under the perturbed evolution. In fact this latter property is false for perturbation by a local magnetization. The failure is directly attributable to the formation of bound states. If the perturbation is quadratic these problems are reduced to spectral analysis of the one-particle Hamiltonian. We demonstrate that the perturbed Hamiltonian has a finite set of eigenvalues of finite multiplicity together with some absolutely continuous spectrum. Eigenvalues can occur in the continuum if, and only if, the perturbation dislocates the system. Singular continuous spectrum cannot occur.

  6. Micro Data and General Equilibrium Models

    DEFF Research Database (Denmark)

    Browning, Martin; Hansen, Lars Peter; Heckman, James J.

    1999-01-01

    Dynamic general equilibrium models are required to evaluate policies applied at the national level. To use these models to make quantitative forecasts requires knowledge of an extensive array of parameter values for the economy at large. This essay describes the parameters required for different...... economic models, assesses the discordance between the macromodels used in policy evaluation and the microeconomic models used to generate the empirical evidence. For concreteness, we focus on two general equilibrium models: the stochastic growth model extended to include some forms of heterogeneity...

  7. Unconstrained Optimization Reformulations of Equilibrium Problems

    Institute of Scientific and Technical Information of China (English)

    Li Ping ZHANG; Ji Ye HAN

    2009-01-01

    We generalize the D-gap function developed in the literature for variational inequalities to a general equilibrium problem (EP). Through the D-gap function,the equilibrium problem is cast as an unconstrained minimization problem. We give conditions under which any stationary point of the D-gap function is a solution of EP and conditions under which it provides a global error bound for EP. Finally,these results are applied to box-constrained EP and then weaker conditions are established to obtain the desired results for box-constrained EP.

  8. Non-equilibrium H$_2$ formation in the early Universe: energy exchanges, rate coefficients and spectral distortions

    CERN Document Server

    Coppola, Carla Maria; Galli, Daniele; Tennyson, Jonathan; Longo, Savino

    2012-01-01

    Energy exchange processes play a crucial role in the early Universe, affecting the thermal balance and the dynamical evolution of the primordial gas. In the present work we focus on the consequences of a non-thermal distribution of the level populations of H$_2$: first, we determine the excitation temperatures of vibrational transitions and the non-equilibrium heat transfer; second, we compare the modifications to chemical reaction rate coefficients with respect to the values obtained assuming local thermodynamic equilibrium; third, we compute the spectral distortions to the cosmic background radiation generated by the formation of H$_2$ in vibrationally excited levels. We conclude that non-equilibrium processes cannot be ignored in cosmological simulations of the evolution of baryons, although their observational signatures remain below current limits of detection. New fits to the equilibrium and non-equilibrium heat transfer functions are provided.

  9. The Symbolism Of Chemical Equations

    Science.gov (United States)

    Jensen, William B.

    2005-01-01

    A question about the historical origin of equal sign and double arrow symbolism in balanced chemical equation is raised. The study shows that Marshall proposed the symbolism in 1902, which includes the use of currently favored double barb for equilibrium reactions.

  10. Chemical kinetics on extrasolar planets.

    Science.gov (United States)

    Moses, Julianne I

    2014-04-28

    Chemical kinetics plays an important role in controlling the atmospheric composition of all planetary atmospheres, including those of extrasolar planets. For the hottest exoplanets, the composition can closely follow thermochemical-equilibrium predictions, at least in the visible and infrared photosphere at dayside (eclipse) conditions. However, for atmospheric temperatures approximately extrasolar planets.

  11. Monetary Policy Frameworks and Real Equilibrium Determinacy

    DEFF Research Database (Denmark)

    Jensen, Henrik

    2002-01-01

    In a simple "prototype" model of monetary policymaking, I examine the issue of real equilibrium determinacy under targeting and instrument rules. The former framework involves minimization of a loss function (under discretion or commitment), whereas the latter involves commitment to an interest......'s stability properties. Instead, they could reveal whether targeting-rule based policy is performed under discretion or commitment...

  12. Rumor Propagation Model: An Equilibrium Study

    Directory of Open Access Journals (Sweden)

    José Roberto C. Piqueira

    2010-01-01

    information is analogous phenomena. Here, in an analogy with the SIR (Susceptible-Infected-Removed epidemiological model, the ISS (Ignorant-Spreader-Stifler rumor spreading model is studied. By using concepts from the Dynamical Systems Theory, stability of equilibrium points is established, according to propagation parameters and initial conditions. Some numerical experiments are conducted in order to validate the model.

  13. Neutron scattering from equilibrium-swollen networks.

    Science.gov (United States)

    Sukumaran, S K; Beaucage, G; Mark, J E; Viers, B

    2005-09-01

    Small-angle neutron scattering measurements were performed on end-linked poly (dimethylsiloxane) (PDMS) networks swollen to equilibrium with d-benzene. Comparison was made with equivalent concentration PDMS solutions. Equilibrium-swollen networks consistently displayed a linear scattering regime at low q followed by a good-solvent-like scaling regime at high q in agreement with the predictions of the Gel Tensile Blob (GTB) model. Data are fit using the unified function modified for the GTB model (3-parameter fit). Equilibrium-swollen networks display a base structural size, the gel tensile-blob size, xi, that was found to be independent of the molecular weight between crosslinks for the series of molecular weights studied, consistent with the predictions of the model. The length of the extended tensile structure, L, can be larger than the length of the fully extended network strand. The predicted scaling relationship for L, L approximately Q(1/2)N(avg), where N(avg) = (1/fN(c)(2) + 1/4N(e)(2), Q is the equilibrium swelling ratio, N(c) is the molecular weight between crosslinks, N(e) is the entanglement molecular weight and f is the crosslink functionality is in agreement with experimental results for the networks studied.

  14. Dynamical Non-Equilibrium Molecular Dynamics

    Directory of Open Access Journals (Sweden)

    Giovanni Ciccotti

    2013-12-01

    Full Text Available In this review, we discuss the Dynamical approach to Non-Equilibrium Molecular Dynamics (D-NEMD, which extends stationary NEMD to time-dependent situations, be they responses or relaxations. Based on the original Onsager regression hypothesis, implemented in the nineteen-seventies by Ciccotti, Jacucci and MacDonald, the approach permits one to separate the problem of dynamical evolution from the problem of sampling the initial condition. D-NEMD provides the theoretical framework to compute time-dependent macroscopic dynamical behaviors by averaging on a large sample of non-equilibrium trajectories starting from an ensemble of initial conditions generated from a suitable (equilibrium or non-equilibrium distribution at time zero. We also discuss how to generate a large class of initial distributions. The same approach applies also to the calculation of the rate constants of activated processes. The range of problems treatable by this method is illustrated by discussing applications to a few key hydrodynamic processes (the “classical” flow under shear, the formation of convective cells and the relaxation of an interface between two immiscible liquids.

  15. Internal equilibrium layer growth over forest

    DEFF Research Database (Denmark)

    Dellwik, E.; Jensen, N.O.

    2000-01-01

    the magnitude of the scatter. Different theoretical friction velocity profiles for the Internal Boundary Layer (IBL) are tested against the forest data. The results yield information on the Internal Equilibrium Layer (IEL) growth and an equation for the IEL height fur neutral conditions is derived. For stable...

  16. Equilibrium Selection in Games with Macroeconomic Complementarities

    NARCIS (Netherlands)

    Kaarboe, Oddvar M.; Tieman, Alexander F.

    1999-01-01

    We apply the stochastic evolutionary approach of equilibrium selection tomacroeconomic models in which a complementarity at the macro level ispresent. These models often exhibit multiple Pareto-ranked Nash equilibria,and the best response-correspondence of an individual increases with ameasure of th

  17. A General Thermal Equilibrium Discharge Flow Model

    Institute of Scientific and Technical Information of China (English)

    ZHAO; Min-fu; ZHANG; Dong-xu; LV; Yu-feng

    2015-01-01

    In isentropic and thermal equilibrium assumptions,a discharge flow model was derived,which unified the rules of normal temperature water discharge,high temperature and high pressure water discharge,two-phase critical flow,saturated steam and superheated steam critical

  18. Equilibrium molecular thermodynamics from Kirkwood sampling.

    Science.gov (United States)

    Somani, Sandeep; Okamoto, Yuko; Ballard, Andrew J; Wales, David J

    2015-05-21

    We present two methods for barrierless equilibrium sampling of molecular systems based on the recently proposed Kirkwood method (J. Chem. Phys. 2009, 130, 134102). Kirkwood sampling employs low-order correlations among internal coordinates of a molecule for random (or non-Markovian) sampling of the high dimensional conformational space. This is a geometrical sampling method independent of the potential energy surface. The first method is a variant of biased Monte Carlo, where Kirkwood sampling is used for generating trial Monte Carlo moves. Using this method, equilibrium distributions corresponding to different temperatures and potential energy functions can be generated from a given set of low-order correlations. Since Kirkwood samples are generated independently, this method is ideally suited for massively parallel distributed computing. The second approach is a variant of reservoir replica exchange, where Kirkwood sampling is used to construct a reservoir of conformations, which exchanges conformations with the replicas performing equilibrium sampling corresponding to different thermodynamic states. Coupling with the Kirkwood reservoir enhances sampling by facilitating global jumps in the conformational space. The efficiency of both methods depends on the overlap of the Kirkwood distribution with the target equilibrium distribution. We present proof-of-concept results for a model nine-atom linear molecule and alanine dipeptide.

  19. MAXIMAL ELEMENTS AND EQUILIBRIUM OF ABSTRACT ECONOMY

    Institute of Scientific and Technical Information of China (English)

    刘心歌; 蔡海涛

    2001-01-01

    An existence theorem of maximal elements for a new type of preference correspondences which are Qθ-majorized is given. Then some existence theorems of equilibrium for abstract economy and qualitative game in which the constraint or preference correspondences are Qθ-majorized are obtained in locally convex topological vector spaces.

  20. Equilibrium thermodynamics in modified gravitational theories

    CERN Document Server

    Bamba, Kazuharu; Tsujikawa, Shinji

    2009-01-01

    We show that it is possible to obtain a picture of equilibrium thermodynamics on the apparent horizon in the expanding cosmological background for a wide class of modified gravity theories with the Lagrangian density $f(R, \\phi, X)$, where $R$ is the Ricci scalar and $X=-(\

  1. Simulated equilibrium factor studies in radon chamber

    Energy Technology Data Exchange (ETDEWEB)

    Tiehchi Chu; Holing Liu [National Tsing Hua Univ., Hsinchu, Taiwan (China). Dept. of Nuclear Science

    1996-05-01

    A series of experiments have been conducted to study the influences of environmental parameters on the equilibrium factor. Most of them were carried out in a walk-in type chamber. The deposition velocity was calculated using the Jacobi model. The ranges of the environmental parameters studied in the experiments are humidity 30-90% r.h. and radon concentration 2-40 kBqm{sup -3}. The aerosol sources included electric fumigator, mosquito coil, incense, a cigarette with the particle concentration 2000-6500 cm{sup -3} and the attachment rate 10-350 h{sup -1}. The results of the experiment show that the equilibrium factor tends to decrease as the radon concentration increases. On the other hand, the equilibrium factor tends to increase as the humidity increases, and so is the increasing attachment rate. Of all the parameters mentioned above, the influence that aerosols have on the equilibrium factor is the predominant factor. The calculated deposition velocity for the unattached fraction of radon daughters tends to increase as the radon concentration increases. However, it tends to decrease as the humidity increases. (Author).

  2. On financial equilibrium with intermediation costs

    DEFF Research Database (Denmark)

    Markeprand, Tobias Ejnar

    2008-01-01

    This paper studies the set of competitive equilibria in financial economies with intermediation costs. We consider an arbitrary dividend structure, which includes options and equity with limited liabilities.We show a general existence result and upper-hemi continuity of the equilibrium correspond...

  3. A SOLUTION OF A GENERAL EQUILIBRIUM PROBLEM

    Institute of Scientific and Technical Information of China (English)

    H.R. SAHEBI; A. RAZANI

    2013-01-01

    Under the framework of a real Hilbert space, we introduce a new iterative method for finding a common element of the set of solution of a general equilibrium problem and the set of fixed points of a nonexpansive semigroup. Moreover, a numerical example is presented. This example grantee the main result of the paper.

  4. Non-equilibrium thermodynamics and physical kinetics

    CERN Document Server

    Bikkin, Halid

    2014-01-01

    This graduate textbook covers contemporary directions of non-equilibrium statistical mechanics as well as classical methods of kinetics. With one of the main propositions being to avoid terms such as "obviously" and "it is easy to show", this treatise is an easy-to-read introduction into this traditional, yet vibrant field.

  5. General Equilibrium Models: Improving the Microeconomics Classroom

    Science.gov (United States)

    Nicholson, Walter; Westhoff, Frank

    2009-01-01

    General equilibrium models now play important roles in many fields of economics including tax policy, environmental regulation, international trade, and economic development. The intermediate microeconomics classroom has not kept pace with these trends, however. Microeconomics textbooks primarily focus on the insights that can be drawn from the…

  6. Evolution and non-equilibrium physics

    DEFF Research Database (Denmark)

    Becker, Nikolaj; Sibani, Paolo

    2014-01-01

    We argue that the stochastic dynamics of interacting agents which replicate, mutate and die constitutes a non-equilibrium physical process akin to aging in complex materials. Specifically, our study uses extensive computer simulations of the Tangled Nature Model (TNM) of biological evolution...

  7. Study of the control-equilibrium of control systems

    Institute of Scientific and Technical Information of China (English)

    Liu Qiaoge; Fu Mengyin; Sun Changsheng

    2008-01-01

    Not so much had been talked about equilibrium in control area.On the basis of the phenomenon of balance,the concept of control-equilibrium and control-equilibrium of a control system is proposed.According to this theory,a perfect control method should not only guarantee stability of the system,but also ensure the control-equilibrium of the system.To achieve the control-equilibrium,feed-forward control is required.

  8. Relationship Between Equilibrium Forms of Lysozyme Crystals and Precipitant Anions

    Science.gov (United States)

    Nadarajah, Arunan

    1996-01-01

    Molecular forces, such as electrostatic, hydrophobic, van der Waals and steric forces, are known to be important in determining protein interactions. These forces are affected by the solution conditions and changing the pH, temperature or the ionic strength of the solution can sharply affect protein interactions. Several investigations of protein crystallization have shown that this process is also strongly dependent on solution conditions. As the ionic strength of the solution is increased, the initially soluble protein may either crystallize or form an amorphous precipitate at high ionic strengths. Studies done on the model protein hen egg white lysozyme have shown that different crystal forms can be easily and reproducibly obtained, depending primarily on the anion used to desolubilize the protein. In this study we employ pyranine to probe the effect of various anions on the water structure. Additionally, lysozyme crystallization was carried out at these conditions and the crystal form was determined by X-ray crystallography. The goal of the study was to understand the physico-chemical basis for the effect of changing the anion concentration on the equilibrium form of lysozyme crystals. It will also verify the hypothesis that the anions, by altering the bulk water structure in the crystallizing solutions, alter the surface energy of the between the crystal faces and the solution and, consequently, the equilibrium form of the crystals.

  9. Barium isotope fractionation during witherite (BaCO3) dissolution, precipitation and at equilibrium

    Science.gov (United States)

    Mavromatis, Vasileios; van Zuilen, Kirsten; Purgstaller, Bettina; Baldermann, Andre; Nägler, Thomas F.; Dietzel, Martin

    2016-10-01

    This study examines the behavior of Ba isotope fractionation between witherite and fluid during mineral dissolution, precipitation and at chemical equilibrium. Experiments were performed in batch reactors at 25 °C in 10-2 M NaCl solution where the pH was adjusted by continuous bubbling of a water saturated gas phase of CO2 or atmospheric air. During witherite dissolution no Ba isotope fractionation was observed between solid and fluid. In contrast, during witherite precipitation, caused by a pH increase, a preferential uptake of the lighter 134Ba isotopomer in the solid phase was observed. In this case, the isotope fractionation factor αwitherite-fluid is calculated to be 0.99993 ± 0.00004 (or Δ137/134Bawitherite-fluid ≈ -0.07 ± 0.04‰, 2 sd). The most interesting feature of this study, however, is that after the attainment of chemical equilibrium, the Ba isotope composition of the aqueous phase is progressively becoming lighter, indicating a continuous exchange of Ba2+ ions between witherite and fluid. Mass balance calculations indicate that the detachment of Ba from the solid is not only restricted to the outer surface layer of the solid, but affects several (∼7 unit cells) subsurface layers of the crystal. This observation comes in excellent agreement with the concept of a dynamic system at chemical equilibrium in a mineral-fluid system, denoting that the time required for the achievement of isotopic equilibrium in the witherite-fluid system is longer compared to that observed for chemical equilibrium. Overall, these results indicate that the isotopic composition of Ba bearing carbonates in natural environments may be altered due to changes in fluid composition without a net dissolution/precipitation to be observed.

  10. Non-equilibrium CO chemistry in the solar atmosphere

    CERN Document Server

    Ramos, A A; Carlsson, M; Cernicharo, J

    2003-01-01

    Investigating the reliability of the assumption of instantaneous chemical equilibrium (ICE) for calculating the CO number density in the solar atmosphere is of crucial importance for the resolution of the long-standing controversy over the existence of `cool clouds' in the chromosphere, and for determining whether the cool gas owes its existence to CO radiative cooling or to a hydrodynamical process. Here we report the first results of such an investigation in which we have carried out time-dependent gas-phase chemistry calculations in radiation hydrodynamical simulations of solar chromospheric dynamics. We show that while the ICE approximation turns out to be suitable for modeling the observed infrared CO lines at the solar disk center, it may substantially overestimate the `heights of formation' of strong CO lines synthesized close to the edge of the solar disk, especially concerning vigorous dynamic cases resulting from relatively strong photospheric disturbances. This happens because during the cool phase...

  11. Research situation andprogress of non-equilibrium plasma chemistry

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    @@ Generally, the non-equilibrium plasma is produced at low pressure by a glow discharge (1.33 Pa-l.33 kPa)including the radio frequency (13.56 MHz), microwave (2450 MHz), AC or DC high voltage discharges. As a method to directly apply energy to a reaction system,some successful applications have been obtained in the fields such as chemical synthesis and decomposition at plasma, sputtering and filming, deposition at the gas state,polymerization, modification on the material surface,etching, ashing at low temperature and so on. For example,in 1999, Zhang et al.[1] got a high conversion rate of 98.2% for CH4 synthesis by a glow discharge at the condition of 850℃ with the catalyst of Ni/α-Al2O3. In 1990,Matsumoto et al.[2

  12. Dynamical Systems Based Non Equilibrium Statistical Mechanics for Markov Chains

    Science.gov (United States)

    Prevost, Mireille

    We introduce an abstract framework concerning non-equilibrium statistical mechanics in the specific context of Markov chains. This framework encompasses both the Evans-Searles and the Gallavotti-Cohen fluctuation theorems. To support and expand on these concepts, several results are proven, among which a central limit theorem and a large deviation principle. The interest for Markov chains is twofold. First, they model a great variety of physical systems. Secondly, their simplicity allows for an easy introduction to an otherwise complicated field encompassing the statistical mechanics of Anosov and Axiom A diffeomorphisms. We give two examples relating the present framework to physical cases modelled by Markov chains. One of these concerns chemical reactions and links key concepts from the framework to their well known physical counterpart.

  13. Non-Poisson processes: regression to equilibrium versus equilibrium correlation functions

    Science.gov (United States)

    Allegrini, Paolo; Grigolini, Paolo; Palatella, Luigi; Rosa, Angelo; West, Bruce J.

    2005-03-01

    We study the response to perturbation of non-Poisson dichotomous fluctuations that generate super-diffusion. We adopt the Liouville perspective and with it a quantum-like approach based on splitting the density distribution into a symmetric and an anti-symmetric component. To accomodate the equilibrium condition behind the stationary correlation function, we study the time evolution of the anti-symmetric component, while keeping the symmetric component at equilibrium. For any realistic form of the perturbed distribution density we expect a breakdown of the Onsager principle, namely, of the property that the subsequent regression of the perturbation to equilibrium is identical to the corresponding equilibrium correlation function. We find the directions to follow for the calculation of higher-order correlation functions, an unsettled problem, which has been addressed in the past by means of approximations yielding quite different physical effects.

  14. On the Dissociation Equilibrium of H2 in Very Cool, Helium-Rich White Dwarf Atmospheres

    CERN Document Server

    Kowalski, P M

    2006-01-01

    We investigate the dissociation equilibrium of $\\rm H_2$ in very cool, helium-rich white dwarf atmospheres. We present the solution of the non-ideal chemical equilibrium for the dissociation of molecular hydrogen in a medium of dense helium. We find that at the photosphere of cool white dwarfs of $T_{\\rm eff}\\rm=4000 K$, the non-ideality results in an increase of the mole fraction of molecular hydrogen by up to a factor of $\\sim 10$, compared to the equilibrium value for the ideal gas. This increases the $\\rm H_{2}-He$ CIA opacity by an order of magnitude and will affect the determination of the abundance of hydrogen in very cool, helium-rich white dwarfs.

  15. Copper adsorption on magnetite-loaded chitosan microspheres: A kinetic and equilibrium study

    Energy Technology Data Exchange (ETDEWEB)

    Podzus, P.E., E-mail: ppodzus@gmail.com [Grupo de Aplicaciones de Materiales Biocompatibles, Departamento de Quimica, Facultad de Ingenieria, Universidad de Buenos Aires, Paseo Colon 850, C1063ACV Buenos Aires (Argentina); Debandi, M.V. [Grupo de Aplicaciones de Materiales Biocompatibles, Departamento de Quimica, Facultad de Ingenieria, Universidad de Buenos Aires, Paseo Colon 850, C1063ACV Buenos Aires (Argentina); Daraio, M.E., E-mail: medit@fi.uba.ar [Grupo de Aplicaciones de Materiales Biocompatibles, Departamento de Quimica, Facultad de Ingenieria, Universidad de Buenos Aires, Paseo Colon 850, C1063ACV Buenos Aires (Argentina)

    2012-08-15

    A composite of Fe{sub 3}O{sub 4} nanoparticles and the biopolymer chitosan, chemically crosslinked, was prepared as microspheres and used to adsorb copper ions, which were chosen as a model of contaminant metal in water. The adsorption of copper on the magnetic microspheres was studied in a batch process, with different aqueous solutions of Cu (II) at concentrations ranging from 40 to 1100 ppm. Kinetic and equilibrium aspects of the adsorption process were studied. The time-dependent Cu (II) adsorption data were well described by a pseudo-second-order kinetic model. It was found that the equilibrium data follow the Langmuir isotherm, with a maximum adsorption capacity of around 500 mg Cu/g chitosan. The used microspheres were removed and after desorption the material was able to be reused as an adsorbent. The prepared microspheres proved efficient in the removal of copper ions through an adsorption process whose kinetic and equilibrium characteristics were analyzed.

  16. 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 ...

  17. On equilibrium charge distribution above dielectric surface

    Directory of Open Access Journals (Sweden)

    Yu.V. Slyusarenko

    2009-01-01

    Full Text Available The problem of the equilibrium state of the charged many-particle system above dielectric surface is formulated. We consider the case of the presence of the external attractive pressing field and the case of its absence. The equilibrium distributions of charges and the electric field, which is generated by these charges in the system in the case of ideally plane dielectric surface, are obtained. The solution of electrostatic equations of the system under consideration in case of small spatial heterogeneities caused by the dielectric surface, is also obtained. These spatial inhomogeneities can be caused both by the inhomogeneities of the surface and by the inhomogeneous charge distribution upon it. In particular, the case of the "wavy" spatially periodic surface is considered taking into account the possible presence of the surface charges.

  18. The Development of Equilibrium After Preheating

    CERN Document Server

    Kofman, L A

    2001-01-01

    We present a fully nonlinear study of the development of equilibrium after preheating. Preheating is the exponentially rapid transfer of energy from the nearly homogeneous inflaton field to fluctuations of other fields and/or the inflaton itself. This rapid transfer leaves these fields in a highly nonthermal state with energy concentrated in infrared modes. We have performed lattice simulations of the evolution of interacting scalar fields during and after preheating for a variety of inflationary models. We have formulated a set of generic rules that govern the thermalization process in all of these models. Notably, we see that once one of the fields is amplified through parametric resonance or other mechanisms it rapidly excites other coupled fields to exponentially large occupation numbers. These fields quickly acquire nearly thermal spectra in the infrared, which gradually propagates into higher momenta. Prior to the formation of total equilibrium, the excited fields group into subsets with almost identica...

  19. Cosmic curvature from de Sitter equilibrium cosmology.

    Science.gov (United States)

    Albrecht, Andreas

    2011-10-01

    I show that the de Sitter equilibrium cosmology generically predicts observable levels of curvature in the Universe today. The predicted value of the curvature, Ω(k), depends only on the ratio of the density of nonrelativistic matter to cosmological constant density ρ(m)(0)/ρ(Λ) and the value of the curvature from the initial bubble that starts the inflation, Ω(k)(B). The result is independent of the scale of inflation, the shape of the potential during inflation, and many other details of the cosmology. Future cosmological measurements of ρ(m)(0)/ρ(Λ) and Ω(k) will open up a window on the very beginning of our Universe and offer an opportunity to support or falsify the de Sitter equilibrium cosmology.

  20. Equilibrium bed-concentration of nonuniform sediment

    Institute of Scientific and Technical Information of China (English)

    2003-01-01

    Knowledge of the equilibrium bed-concentration is vital to mathematical modeling of the river-bed deformation associated with suspended load but previous investigations only dealt with the reference concentration of uniform sediment because of difficulties in observation of the bed-concentration. This work is a first attempt to develop a theoretical formula for the equilibrium bed-concentration of any fraction of nonuniform sediment defined at the bed-surface. The formula is based on a stochastic-mechanistic model for the exchange of nonuniform sediment near the bed, and described as a function of incipient motion probability, non-ceasing probability, pick-up probability, and the ratio of the average single-step continuous motion time to static time. Comparison of bed-concentration calculated from the proposed formula with the measured data showed satisfactory agreement, indicating the present formula can be used for solving the differential equation governing the motion of suspended load.

  1. Equilibrium policies when preferences are time inconsistent

    CERN Document Server

    Ekeland, Ivar

    2008-01-01

    This paper characterizes differentiable and subgame Markov perfect equilibria in a continuous time intertemporal decision problem with non-constant discounting. Capturing the idea of non commitment by letting the commitment period being infinitesimally small, we characterize the equilibrium strategies by a value function, which must satisfy a certain equation. The equilibrium equation is reminiscent of the classical Hamilton-Jacobi-Bellman equation of optimal control, but with a non-local term leading to differences in qualitative behavior. As an application, we formulate an overlapping generations Ramsey model where the government maximizes a utilitarian welfare function defined as the discounted sum of successive generations' lifetime utilities. When the social discount rate is different from the private discount rate, the optimal command allocation is time inconsistent and we retain subgame perfection as a principle of intergenerational equity. Existence of multiple subgame perfect equilibria is establishe...

  2. Adaptive Resolution Simulation in Equilibrium and Beyond

    CERN Document Server

    Wang, Han

    2014-01-01

    In this paper, we investigate the equilibrium statistical properties of both the force and potential interpolations of adaptive resolution simulation (AdResS) under the theoretical framework of grand-canonical like AdResS (GC-AdResS). The thermodynamic relations between the higher and lower resolutions are derived by considering the absence of fundamental conservation laws in mechanics for both branches of AdResS. In order to investigate the applicability of AdResS method in studying the properties beyond the equilibrium, we demonstrate the accuracy of AdResS in computing the dynamical properties in two numerical examples: The velocity auto-correlation of pure water and the conformational relaxation of alanine dipeptide dissolved in water. Theoretical and technical open questions of the AdResS method are discussed in the end of the paper.

  3. Fluctuation theorem for constrained equilibrium systems

    Science.gov (United States)

    Gilbert, Thomas; Dorfman, J. Robert

    2006-02-01

    We discuss the fluctuation properties of equilibrium chaotic systems with constraints such as isokinetic and Nosé-Hoover thermostats. Although the dynamics of these systems does not typically preserve phase-space volumes, the average phase-space contraction rate vanishes, so that the stationary states are smooth. Nevertheless, finite-time averages of the phase-space contraction rate have nontrivial fluctuations which we show satisfy a simple version of the Gallavotti-Cohen fluctuation theorem, complementary to the usual fluctuation theorem for nonequilibrium stationary states and appropriate to constrained equilibrium states. Moreover, we show that these fluctuations are distributed according to a Gaussian curve for long enough times. Three different systems are considered here: namely, (i) a fluid composed of particles interacting with Lennard-Jones potentials, (ii) a harmonic oscillator with Nosé-Hoover thermostatting, and (iii) a simple hyperbolic two-dimensional map.

  4. Nanostructured energy devices equilibrium concepts and kinetics

    CERN Document Server

    Bisquert, Juan

    2014-01-01

    Due to the pressing needs of society, low cost materials for energy devices have experienced an outstanding development in recent times. In this highly multidisciplinary area, chemistry, material science, physics, and electrochemistry meet to develop new materials and devices that perform required energy conversion and storage processes with high efficiency, adequate capabilities for required applications, and low production cost. Nanostructured Energy Devices: Equilibrium Concepts and Kinetics introduces the main physicochemical principles that govern the operation of energy devices. It inclu

  5. Equilibrium Configuration of Φ4 Oscillatons

    Science.gov (United States)

    Valdez-Alvarado, Susana; Becerril, Ricardo; Ureña-López, L. Arturo

    2010-07-01

    We search for equilibrium configurations of the (coupled) Einstein-Klein-Gordon equations for the case of a real scalar field endowed with a quartic self-interaction potential. The resulting solutions are the generalizations of the (massive) oscillating soliton stars, the so-called oscillatons. Among other parameters, we estimate the mass curve of the configurations, and determine their critical mass for different values of the quartic interaction.

  6. Mixed quasi-equilibrium-like problems

    Directory of Open Access Journals (Sweden)

    Muhammad Aslam Noor

    2006-01-01

    Full Text Available We use the auxiliary principle technique in conjunction with the Bregman function to suggest and analyze a three-step predictor-corrector method for solving mixed quasi-equilibrium-like problems. We also study the convergence criteria of this new method under some mild conditions. As special cases, we obtain various new and known methods for solving variational-like inequalities and related optimization problems.

  7. Oxygen equilibrium of brachiopod Lingula hemerythrin.

    Science.gov (United States)

    MANWELL, C

    1960-08-26

    In contrast to hemerythrin from five different species of sipunculid worms, ecardine brachiopod Lingula hemerythrin has an oxygen equilibrium which is reversibly altered by pH changes, both the oxygen affinity (Bohr effect) and the interactions between oxygen-binding centers being a function of pH. The significance of these phenomena is discussed in view of the phylogenetic distribution of hemerythrin and the function of respiratory pigments.

  8. Structural Stability of Tokamak Equilibrium: Transport Barriers

    Energy Technology Data Exchange (ETDEWEB)

    Solano, E. R.

    2001-07-01

    A generalised theory of structural stability of differential equations is introduced and applied to the Grad-Shafranov equation. It is discussed how the formation and loss of transport barrier could be associated with the appearance/disappearance of equilibria. The equilibrium conjecture is presented: transport barriers are associated with locally diamagnetic regions in the plasma, and affected by the paramagnetism of the bootstrap current. (Author) 18 refs.

  9. Contact angle measurements under thermodynamic equilibrium conditions.

    Science.gov (United States)

    Lages, Carol; Méndez, Eduardo

    2007-08-01

    The precise control of the ambient humidity during contact angle measurements is needed to obtain stable and valid data. For a such purpose, a simple low-cost device was designed, and several modified surfaces relevant to biosensor design were studied. Static contact angle values for these surfaces are lower than advancing contact angles published for ambient conditions, indicating that thermodynamic equilibrium conditions are needed to avoid drop evaporation during the measurements.

  10. A Monetary Equilibrium Model with Transactions Costs

    OpenAIRE

    Julio J. Rotemberg

    1982-01-01

    This paper presents the competitive equilibrium of an economy in which people hold money for transactions purposes. It studies both the steady states which result from different rates of monetary expansion and the effects of such non-steady state events as an open market operation. Even though the model features no uncertainty and perfect foresight, open market operations affect aggregate output. In particular, a simultaneous increase in money and governmental holdings of capital temporarily ...

  11. Immigration and Outsourcing: A General Equilibrium Analysis

    OpenAIRE

    Subhayu Bandoyopadhyay; Wall, Howard J.

    2006-01-01

    This paper analyzes the issues of immigration and outsourcing in a general-equilibrium model of international factor mobility. In our model, legal immigration is controlled through a quota, while outsourcing is determined both by the firms (in response to market conditions) and through policy-imposed barriers. A loosening of the immigration quota reduces outsourcing, enriches capitalists, leads to losses for native workers, and raises national income. If the nation targets an exogenously dete...

  12. Equilibrium and stability properties of detonation waves in the hydrodynamic limit of a kinetic model

    Science.gov (United States)

    Marques, Wilson, Jr.; Jacinta Soares, Ana; Pandolfi Bianchi, Miriam; Kremer, Gilberto M.

    2015-06-01

    A shock wave structure problem, like the one which can be formulated for the planar detonation wave, is analyzed here for a binary mixture of ideal gases undergoing the symmetric reaction {{A}1}+{{A}1}\\rightleftharpoons {{A}2}+{{A}2}. The problem is studied at the hydrodynamic Euler limit of a kinetic model of the reactive Boltzmann equation. The chemical rate law is deduced in this frame with a second-order reaction rate, in a chemical regime such that the gas flow is not far away from the chemical equilibrium. The caloric and the thermal equations of state for the specific internal energy and temperature are employed to close the system of balance laws. With respect to other approaches known in the kinetic literature for detonation problems with a reversible reaction, this paper aims to improve some aspects of the wave solution. Within the mathematical analysis of the detonation model, the equation of the equilibrium Hugoniot curve of the final states is explicitly derived for the first time and used to define the correct location of the equilibrium Chapman-Jouguet point in the Hugoniot diagram. The parametric space is widened to investigate the response of the detonation solution to the activation energy of the chemical reaction. Finally, the mathematical formulation of the linear stability problem is given for the wave detonation structure via a normal-mode approach, when bidimensional disturbances perturb the steady solution. The stability equations with their boundary conditions and the radiation condition of the considered model are explicitly derived for small transversal deviations of the shock wave location. The paper shows how a second-order chemical kinetics description, derived at the microscopic level, and an analytic deduction of the equilibrium Hugoniot curve, lead to an accurate picture of the steady detonation with reversible reaction, as well as to a proper bidimensional linear stability analysis.

  13. Equilibrium behavior of coarse-grained chaos

    Science.gov (United States)

    Egolf, David A.; Ballard, Christopher C.; Esty, C. Clark

    2015-03-01

    A wide variety of systems exhibiting spatiotemporal chaos have been shown to be extensive, in that their fractal dimensions grow linearly with volume. Ruelle argued that this extensivity is evidence that these systems can be viewed as a gas of weakly-interacting regions. We have tested this idea by performing large-scale computational studies of spatiotemporal chaos in the 1D complex Ginzburg-Landau equation, and we have found that aspects of the coarse-grained system are well-described not only as a gas, but as an equilibrium gas -- in particular, a Tonks gas (and variants) in the grand canonical ensemble. Furthermore, for small system sizes, the average number of particles in the corresponding Tonks gas exhibits oscillatory, decaying deviations from extensivity in agreement with deviations in the fractal dimension found by Fishman and Egolf. This result not only supports Ruelle's picture but also suggests that the coarse-grained behavior of this far-from-equilibrium system might be understood using equilibrium statistical mechanics.

  14. Generalized Convective Quasi-Equilibrium Closure

    Science.gov (United States)

    Yano, Jun-Ichi; Plant, Robert

    2016-04-01

    Arakawa and Schubert proposed convective quasi-equilibrium as a basic principle for closing their spectrum mass-flux convection parameterization. In deriving this principle, they show that the cloud work function is a key variable that controls the growth of convection. Thus, this closure hypothesis imposes a steadiness of the cloud work function tendency. This presentation shows how this principle can be generalized so that it can also encompasses both the CAPE and the moisture-convergence closures. Note that the majority of the current mass-flux convection parameterization invokes a CAPE closure, whereas the moisture-convergence closure was extremely popular historically. This generalization, in turn, includes both closures as special cases of convective quasi-equilibrium. This generalization further suggests wide range of alternative possibilities for convective closure. In general, a vertical integral of any function depending on both large-scale and convective-scale variables can be adopted as an alternative closure variables, leading to an analogous formulation as Arakawa and Schubert's convective quasi-equilibrium formulation. Among those, probably the most fascinating possibility is to take a vertical integral of the convective-scale moisture for the closure. Use of a convective-scale variable for closure has a particular appeal by not suffering from a loss of predictability of any large-scale variables. That is a main problem with any of the current convective closures, not only for the moisture-convergence based closure as often asserted.

  15. The Dynamical Equilibrium of Galaxy Clusters

    Science.gov (United States)

    Carlberg, R. G.; Yee, H. K. C.; Ellingson, E.; Morris, S. L.; Abraham, R.; Gravel, P.; Pritchet, C. J.; Smecker-Hane, T.; Hartwick, F. D. A.; Hesser, J. E.; Hutchings, J. B.; Oke, J. B.

    1997-02-01

    If a galaxy cluster is effectively in dynamical equilibrium, then all galaxy populations within the cluster must have distributions in velocity and position that individually reflect the same underlying mass distribution, although the derived virial masses can be quite different. Specifically, within the Canadian Network for Observational Cosmology cluster sample, the virial radius of the red galaxy population is, on the average, a factor of 2.05 +/- 0.34 smaller than that of the blue population. The red galaxies also have a smaller rms velocity dispersion, a factor of 1.31 +/- 0.13 within our sample. Consequently, the virial mass calculated from the blue galaxies is 3.5 +/- 1.3 times larger than from the red galaxies. However, applying the Jeans equation of stellar hydrodynamic equilibrium to the red and blue subsamples separately gives statistically identical cluster mass profiles. This is strong evidence that these clusters are effectively equilibrium systems and therefore demonstrates empirically that the masses in the virialized region are reliably estimated using dynamical techniques.

  16. Dynamic assignment: there is an equilibrium !

    CERN Document Server

    Meunier, Frédéric

    2008-01-01

    Given a network with a continuum of users at some origins, suppose that the users wish to reach specific destinations, but that they are not indifferent to the time needed to reach their destination. They may have several possibilities (of routes or deparure time), but their choices modify the travel times on the network. Hence, each user faces the following problem: given a pattern of travel times for the different possible routes that reach the destination, find a shortest path. The situation in a context of perfect information is a so-called Nash equilibrium, and the question whether there is such an equilibrium and of finding it if it exists is the so-called equilibrium assignment problem. It arises for various kind of networks, such as computers, communication or transportation network. When each user occupies permanently the whole route from the origin to its destination, we call it the static assignment problem, which has been extensively studied with pioneers works by Wardrop or Beckmann. A less studi...

  17. Development of a multi-species mass transport model for concrete with account to thermodynamic phase equilibriums

    DEFF Research Database (Denmark)

    Hosokawa, Yoshifumi; Yamada, Kazuo; Johannesson, Björn

    2011-01-01

    In this study, a coupled multi-species transport and chemical equilibrium model has been established. The model is capable of predicting time dependent variation of pore solution and solid-phase composition in concrete. Multi-species transport approaches, based on the Poisson–Nernst–Planck (PNP......) theory alone, not involving chemical processes, have no real practical interest since the chemical action is very dominant for cement based materials. Coupled mass transport and chemical equilibrium models can be used to calculate the variation in pore solution and solid-phase composition when using...... by using the PHREEQC program. The coupling between the transport part and chemical part of the problem is tackled by using a sequential operator splitting technique and the calculation results are verified by comparing the elemental spacial distribution in concrete measured by the electron probe...

  18. Multi-period equilibrium/near-equilibrium in electricity markets based on locational marginal prices

    Science.gov (United States)

    Garcia Bertrand, Raquel

    In this dissertation we propose an equilibrium procedure that coordinates the point of view of every market agent resulting in an equilibrium that simultaneously maximizes the independent objective of every market agent and satisfies network constraints. Therefore, the activities of the generating companies, consumers and an independent system operator are modeled: (1) The generating companies seek to maximize profits by specifying hourly step functions of productions and minimum selling prices, and bounds on productions. (2) The goals of the consumers are to maximize their economic utilities by specifying hourly step functions of demands and maximum buying prices, and bounds on demands. (3) The independent system operator then clears the market taking into account consistency conditions as well as capacity and line losses so as to achieve maximum social welfare. Then, we approach this equilibrium problem using complementarity theory in order to have the capability of imposing constraints on dual variables, i.e., on prices, such as minimum profit conditions for the generating units or maximum cost conditions for the consumers. In this way, given the form of the individual optimization problems, the Karush-Kuhn-Tucker conditions for the generating companies, the consumers and the independent system operator are both necessary and sufficient. The simultaneous solution to all these conditions constitutes a mixed linear complementarity problem. We include minimum profit constraints imposed by the units in the market equilibrium model. These constraints are added as additional constraints to the equivalent quadratic programming problem of the mixed linear complementarity problem previously described. For the sake of clarity, the proposed equilibrium or near-equilibrium is first developed for the particular case considering only one time period. Afterwards, we consider an equilibrium or near-equilibrium applied to a multi-period framework. This model embodies binary

  19. Towards a model of non-equilibrium binding of metal ions in biological systems.

    Science.gov (United States)

    Beardmore, James; Exley, Christopher

    2009-02-01

    We have used a systems biology approach to address the hitherto insoluble problem of the quantitative analysis of non-equilibrium binding of aqueous metal ions by competitive ligands in heterogeneous media. To-date, the relative proportions of different metal complexes in aqueous media has only been modelled at chemical equilibrium and there are no quantitative analyses of the approach to equilibrium. While these models have improved our understanding of how metals are used in biological systems they cannot account for the influence of kinetic factors in metal binding, transport and fate. Here we have modelled the binding of aluminium, Al(III), in blood serum by the iron transport protein transferrin (Tf) as it is widely accepted that the biological fate of this non-essential metal is not adequately described by experiments, invitro and insilico, which have consistently demonstrated that at equilibrium 90% of serum Al(III) is bound by Tf. We have coined this paradox 'the blood-aluminium problem' and herein applied a systems biology approach which utilised well-found assumptions to pare away the complexities of the problem such that it was defined by a comparatively simple set of computational rules and, importantly, its solution assumed significant predictive capabilities. Here we show that our novel computational model successfully described the binding of Al(III) by Tf both at equilibrium and as equilibrium for Al(Tf) was approached. The model predicted significant non-equilibrium binding of Al by ligands in competition with Tf and, thereby, provided an explanation of why the distribution of Al(III) in the body cannot be adequately described by its binding and transport by Tf alone. Generically the model highlighted the significance of kinetic in addition to thermodynamic constraints in defining the fate of metal ions in biological systems.

  20. Selected readings in chemical kinetics

    CERN Document Server

    Back, Margaret H

    2013-01-01

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

  1. Wall ablation of heated compound-materials into non-equilibrium discharge plasmas

    Science.gov (United States)

    Wang, Weizong; Kong, Linghan; Geng, Jinyue; Wei, Fuzhi; Xia, Guangqing

    2017-02-01

    The discharge properties of the plasma bulk flow near the surface of heated compound-materials strongly affects the kinetic layer parameters modeled and manifested in the Knudsen layer. This paper extends the widely used two-layer kinetic ablation model to the ablation controlled non-equilibrium discharge due to the fact that the local thermodynamic equilibrium (LTE) approximation is often violated as a result of the interaction between the plasma and solid walls. Modifications to the governing set of equations, to account for this effect, are derived and presented by assuming that the temperature of the electrons deviates from that of the heavy particles. The ablation characteristics of one typical material, polytetrafluoroethylene (PTFE) are calculated with this improved model. The internal degrees of freedom as well as the average particle mass and specific heat ratio of the polyatomic vapor, which strongly depends on the temperature, pressure and plasma non-equilibrium degree and plays a crucial role in the accurate determination of the ablation behavior by this model, are also taken into account. Our assessment showed the significance of including such modifications related to the non-equilibrium effect in the study of vaporization of heated compound materials in ablation controlled arcs. Additionally, a two-temperature magneto-hydrodynamic (MHD) model accounting for the thermal non-equilibrium occurring near the wall surface is developed and applied into an ablation-dominated discharge for an electro-thermal chemical launch device. Special attention is paid to the interaction between the non-equilibrium plasma and the solid propellant surface. Both the mass exchange process caused by the wall ablation and plasma species deposition as well as the associated momentum and energy exchange processes are taken into account. A detailed comparison of the results of the non-equilibrium model with those of an equilibrium model is presented. The non-equilibrium results

  2. Computational methods for multiphase equilibrium and kinetics calculations for geochemical and reactive transport applications

    Science.gov (United States)

    Leal, Allan; Saar, Martin

    2016-04-01

    Computational methods for geochemical and reactive transport modeling are essential for the understanding of many natural and industrial processes. Most of these processes involve several phases and components, and quite often requires chemical equilibrium and kinetics calculations. We present an overview of novel methods for multiphase equilibrium calculations, based on both the Gibbs energy minimization (GEM) approach and on the solution of the law of mass-action (LMA) equations. We also employ kinetics calculations, assuming partial equilibrium (e.g., fluid species in equilibrium while minerals are in disequilibrium) using automatic time stepping to improve simulation efficiency and robustness. These methods are developed specifically for applications that are computationally expensive, such as reactive transport simulations. We show how efficient the new methods are, compared to other algorithms, and how easy it is to use them for geochemical modeling via a simple script language. All methods are available in Reaktoro, a unified open-source framework for modeling chemically reactive systems, which we also briefly describe.

  3. THE COURNOT EQUILIBRIUM IN A NONSYMMETRIC OLIGOPOLISTIC MARKET,

    Science.gov (United States)

    When there are differentiated products a limited general equilibrium model determines the set of prices which will just clear all markets. A...detailed analysis of this problem and its relationship to rationing and general equilibrium has been given.

  4. Towards breaking temperature equilibrium in multi-component Eulerian schemes

    Energy Technology Data Exchange (ETDEWEB)

    Grove, John W [Los Alamos National Laboratory; Masser, Thomas [Los Alamos National Laboratory

    2009-01-01

    We investigate the effects ofthermal equilibrium on hydrodynamic flows and describe models for breaking the assumption ofa single temperature for a mixture of components in a cell. A computational study comparing pressure-temperature equilibrium simulations of two dimensional implosions with explicit front tracking is described as well as implementation and J-D calculations for non-equilibrium temperature methods.

  5. Equilibrium Price Dispersion in a Matching Model with Divisible Money

    NARCIS (Netherlands)

    Kamiya, K.; Sato, T.

    2002-01-01

    The main purpose of this paper is to show that, for any given parameter values, an equilibrium with dispersed prices (two-price equilibrium) exists in a simple matching model with divisible money presented by Green and Zhou (1998).We also show that our two-price equilibrium is unique in certain envi

  6. Toroidal equilibrium in an iron-core reversed field pinch

    Energy Technology Data Exchange (ETDEWEB)

    Miller, G.

    1984-04-01

    An analytical theory of toroidal equilibrium in the ZT-40M reversed field pinch is obtained, including effects of iron cores and resistive shell. The iron cores alter the form of the equilibrium condition and cause the equilibrium to be unstable on the shell resistive time scale.

  7. An analysis of the concept of equilibrium in organization theory

    NARCIS (Netherlands)

    Gazendam, Henk W.M.; Simons, John L.

    1998-01-01

    This article analyzes how the equilibrium concept is used in four organization theories: the theories of Fayol, Mintzberg, Morgan, and Volberda. Equilibrium can be defined as balance, fit or requisite variety. Equilibrium is related to observables dependent on the definition of organization as work

  8. Need for Vapour-Liquid Equilibrium Data Generation of Systems Involving Green Solvents

    OpenAIRE

    V. M. Parsana; S. P. Parikh

    2015-01-01

    Much has been said and written over the years regarding green chemistry concept and use of green solvents. The green solvents can potentially replace the traditional or classical solvents in order to reduce the environment footprint or their harmful impact on human being and/or environment. Vapour-liquid equilibrium data is indispensable for the design of distillation columns for separation processes which account for a large percentage of total costs in a typical chemical plant. ...

  9. Molecular dynamical studies of the dissociation of a diatomic molecular crystal. II. Equilibrium kinetics

    Science.gov (United States)

    Trevino, S. F.; Tsai, D. H.

    1984-07-01

    The properties of a molecular dynamical model undergoing equilibrium chemical reactions are reported. It is shown that the kinetics of the modeled reaction is consistent with established thermodynamic considerations. Further, at constant pressure, the relation between the Arrhenius energy of reaction ΔE, the potential energy change upon dissociation Δɛ, and the work done due to the volume change PΔV, viz, -ΔE=-(Δɛ+PΔV), is satisfied.

  10. Electrolytes supramolecular interactions and non-equilibrium phenomena in concentrated solutions

    CERN Document Server

    Aseyev, Georgii Georgievich

    2014-01-01

    Electrolyte solutions play a key role in traditional chemical industry processes as well as other sciences such as hydrometallurgy, geochemistry, and crystal chemistry. Knowledge of electrolyte solutions is also key in oil and gas exploration and production, as well as many other environmental engineering endeavors. Until recently, a gap existed between the electrolyte solution theory dedicated to diluted solutions, and the theory, practice, and technology involving concentrated solutions.Electrolytes: Supramolecular Interactions and Non-Equilibrium Phenomena in Concentrated Solutions addresse

  11. Mobility and equilibrium stability analysis of pin-jointed mechanisms with equilibrium matrix SVD

    Institute of Scientific and Technical Information of China (English)

    LU Jin-yu; LUO Yao-zhi; LI Na

    2007-01-01

    Under certain load pattern, the geometrically indeterminate pin-jointed mechanisms will present certain shapes to keep static equalization. This paper proposes a matrix-based method to determine the mobility and equilibrium stability of mechanisms according to the effects of the external loads. The first and second variations of the potential energy function of mechanisms under conservative force field are analyzed. Based on the singular value decomposition (SVD) method, a new criterion for the mobility and equilibrium stability of mechanisms can be concluded by analyzing the equilibrium matrix. The mobility and stability of mechanisms can be classified by unified matrix formulae. A number of examples are given to demonstrate the proposed criterion. In the end, criteria are summarized in a table.

  12. Microscopic theory of equilibrium polariton condensates

    Science.gov (United States)

    Xue, Fei; Wu, Fengcheng; Xie, Ming; Su, Jung-Jung; MacDonald, A. H.

    2016-12-01

    We present a microscopic theory of the equilibrium polariton condensate state of a semiconductor quantum well in a planar optical cavity. The theory accounts for the adjustment of matter excitations to the presence of a coherent photon field, predicts effective polariton-polariton interaction strengths that are weaker and condensate exciton fractions that are smaller than in the commonly employed exciton-photon model, and yields effective Rabi coupling strengths that depend on the detuning of the cavity-photon energy relative to the bare exciton energy. The dressed quasiparticle bands that appear naturally in the theory provide a mechanism for electrical manipulation of polariton condensates.

  13. Tuning non-equilibrium superconductors with lasers

    Energy Technology Data Exchange (ETDEWEB)

    Sentef, Michael A.; Kollath, Corinna [HISKP, University of Bonn, Nussallee 14-16, D-53115 Bonn (Germany); Kemper, Alexander F. [LBL Berkeley (United States); Georges, Antoine [Ecole Polytechnique and College de France, Paris (France)

    2015-07-01

    The study of the real-time dynamics dynamics of solids perturbed by short laser pulses is an intriguing opportunity of ultrafast materials science. Previous theoretical work on pump-probe photoemission spectroscopy revealed spectroscopic signatures of electron-boson coupling, which are reminiscent of features observed in recent pump-probe photoemission experiments on cuprate superconductors. Here we investigate the ordered state of electron-boson mediated superconductors subject to laser driving using Migdal-Eliashberg theory on the Kadanoff-Baym-Keldysh contour. We extract the characteristic time scales on which the non-equilibrium superconductor reacts to the perturbation, and their relation to the coupling boson and the underlying order.

  14. The Optimal Nash Equilibrium Strategies Under Competition

    Institute of Scientific and Technical Information of China (English)

    孟力; 王崇喜; 汪定伟; 张爱玲

    2004-01-01

    This paper presented a game theoretic model to study the competition for a single investment oppertunity under uncertainty. It models the hazard rate of investment as a function of competitors' trigger level. Under uncertainty and different information structure, the option and game theory was applied to researching the optimal Nash equilibrium strategies of one or more firm. By means of Matlab software, the paper simulates a real estate developing project example and illustrates how parameter affects investment strategies. The paper's work will contribute to the present investment practice in China.

  15. Migration cost externality and interregional equilibrium.

    Science.gov (United States)

    Shin, C

    1994-01-01

    "This paper will investigate the characteristics of population allocation between two regions in the presence of migration cost. It will also examine both populations and the non-migration range of the initial population in which migration does not occur, in social optimum and market equilibrium with central government intervention, to reveal migration cost externality, and to propose a remedy for it." The author finds that "migration cost gives the social planner an additional burden of population reallocation, and it has an important effect upon an individual's decisions on migration in a decentralized market mechanism."

  16. Non-equilibrium Dynamics of DNA Nanotubes

    Science.gov (United States)

    Hariadi, Rizal Fajar

    Can the fundamental processes that underlie molecular biology be understood and simulated by DNA nanotechnology? The early development of DNA nanotechnology by Ned Seeman was driven by the desire to find a solution to the protein crystallization problem. Much of the later development of the field was also driven by envisioned applications in computing and nanofabrication. While the DNA nanotechnology community has assembled a versatile tool kit with which DNA nanostructures of considerable complexity can be assembled, the application of this tool kit to other areas of science and technology is still in its infancy. This dissertation reports on the construction of non-equilibrium DNA nanotube dynamic to probe molecular processes in the areas of hydrodynamics and cytoskeletal behavior. As the first example, we used DNA nanotubes as a molecular probe for elongational flow measurement in different micro-scale flow settings. The hydrodynamic flow in the vicinity of simple geometrical objects, such as a rigid DNA nanotube, is amenable to rigorous theoretical investigation. We measured the distribution of elongational flows produced in progressively more complex settings, ranging from the vicinity of an orifice in a microfluidic chamber to within a bursting bubble of Pacific ocean water. This information can be used to constrain theories on the origin of life in which replication involves a hydrodynamically driven fission process, such as the coacervate fission proposed by Oparin. A second theme of this dissertation is the bottom-up construction of a de novo artificial cytoskeleton with DNA nanotubes. The work reported here encompasses structural, locomotion, and control aspects of non-equilibrium cytoskeletal behavior. We first measured the kinetic parameters of DNA nanotube assembly and tested the accuracy of the existing polymerization models in the literature. Toward recapitulation of non-equilibrium cytoskeletal dynamics, we coupled the polymerization of DNA

  17. Equilibrium Correlations in a Clustering Universe

    Institute of Scientific and Technical Information of China (English)

    张航; 黄霞; 李晓卿

    2003-01-01

    It is shown that the observed result of the two-point galaxy correlation function and the three-point correlation function in the Universe agrees with a quasi-equilibrium assumption of mass distribution.Utilizing the form of the three-point correlation,we find that the two-point correlation function can be obtained by solving an equation derived from maximizing entropy under some constraints in a self-gravitating particle model.A generalized non-extensive entropy is also introduced to improve our result.

  18. Equilibrium solution of two enterprises cooperative game

    Institute of Scientific and Technical Information of China (English)

    Li Ling; Deng Feiqi

    2007-01-01

    Based on the actual experience of cooperation in the supply chain, the Nash solution of two enterprises cooperative games is given.Not only is the solution unique, but it is also stable, and neither side has the capability to deviate the allocation of interests from the equilibrium point.If some firm tries to withdraw from cooperation or threaten to use other particular strategy, the negotiations are likely to achieve the distribution by the threat game; The calculating method of the choice of the optimal bargaining base point and the corresponding optimal pay-off vector are given.

  19. Equilibrium solutions of the shallow water equations

    CERN Document Server

    Weichman, P B; Weichman, Peter B.; Petrich, Dean M.

    2000-01-01

    A statistical method for calculating equilibrium solutions of the shallow water equations, a model of essentially 2-d fluid flow with a free surface, is described. The model contains a competing acoustic turbulent {\\it direct} energy cascade, and a 2-d turbulent {\\it inverse} energy cascade. It is shown, nonetheless that, just as in the corresponding theory of the inviscid Euler equation, the infinite number of conserved quantities constrain the flow sufficiently to produce nontrivial large-scale vortex structures which are solutions to a set of explicitly derived coupled nonlinear partial differential equations.

  20. Unique supply function equilibrium with capacity constraints

    Energy Technology Data Exchange (ETDEWEB)

    Holmberg, Paer [Department of Economics, Uppsala University, P.O. Box 513, SE-751 20 Uppsala (Sweden)

    2008-01-15

    Consider a market where producers submit supply functions to a procurement auction with uncertain demand, e.g. an electricity auction. In the Supply Function Equilibrium (SFE), every firm commits to the supply function that maximises expected profit in the one-shot game given the supply functions of competitors. A basic weakness of the SFE is the presence of multiple equilibria. This paper shows that with (i) symmetric producers, (ii) perfectly inelastic demand, (iii) a price cap, and (iv) capacity constraints that bind with a positive probability, there exists a unique, symmetric SFE. (author)

  1. A tightly coupled non-equilibrium model for inductively coupled radio-frequency plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Munafò, A., E-mail: munafo@illinois.edu; Alfuhaid, S. A., E-mail: alfuhai2@illinois.edu; Panesi, M., E-mail: mpanesi@illinois.edu [Department of Aerospace Engineering, University of Illinois at Urbana-Champaign, Talbot Laboratory, 104 S. Wright St., Urbana, Illinois 61801 (United States); Cambier, J.-L., E-mail: jean-luc.cambier@us.af.mil [Edwards Air Force Base Research Laboratory, 10 E. Saturn Blvd., Edwards AFB, California 93524 (United States)

    2015-10-07

    The objective of the present work is the development of a tightly coupled magneto-hydrodynamic model for inductively coupled radio-frequency plasmas. Non Local Thermodynamic Equilibrium (NLTE) effects are described based on a hybrid State-to-State approach. A multi-temperature formulation is used to account for thermal non-equilibrium between translation of heavy-particles and vibration of molecules. Excited electronic states of atoms are instead treated as separate pseudo-species, allowing for non-Boltzmann distributions of their populations. Free-electrons are assumed Maxwellian at their own temperature. The governing equations for the electro-magnetic field and the gas properties (e.g., chemical composition and temperatures) are written as a coupled system of time-dependent conservation laws. Steady-state solutions are obtained by means of an implicit Finite Volume method. The results obtained in both LTE and NLTE conditions over a broad spectrum of operating conditions demonstrate the robustness of the proposed coupled numerical method. The analysis of chemical composition and temperature distributions along the torch radius shows that: (i) the use of the LTE assumption may lead to an inaccurate prediction of the thermo-chemical state of the gas, and (ii) non-equilibrium phenomena play a significant role close the walls, due to the combined effects of Ohmic heating and macroscopic gradients.

  2. Equilibrium and pre-equilibrium emissions in proton-induced reactions on 203,205Tl

    Indian Academy of Sciences (India)

    A Kaplan; A Aydin; E Tel; B Şarer

    2009-02-01

    In this study, the excitation functions for the reactions 203Tl(, )203Pb, 203Tl(, 3)203Pb, 203Tl(, 2)202Pb, 205Tl(, 4)202Pb, 203Tl(, 3)201Pb, 205Tl(, 5)201Pb, 203Tl(, 4)200Pb and 205Tl(, 6)200Pb have been calculated using pre-equilibrium and equilibrium reaction mechanisms. Calculated results based on hybrid model, geometry-dependent hybrid model and cascade-exciton model have been compared with the experimental data.

  3. Equilibrium gas-liquid-solid contact angle from density-functional theory

    OpenAIRE

    Pereira, Antonio; Kalliadasis, Serafim

    2010-01-01

    We investigate the equilibrium of a fluid in contact with a solid boundary through a density-functional theory. Depending on the conditions, the fluid can be in one phase, gas or liquid, or two phases, while the wall induces an external field acting on the fluid particles. We first examine the case of a liquid film in contact with the wall. We construct bifurcation diagrams for the film thickness as a function of the chemical potential. At a specific value of the chemical potential, two equal...

  4. On statistical equilibrium in helical fluid flows

    Directory of Open Access Journals (Sweden)

    M. V. Kurgansky

    2006-01-01

    Full Text Available The statistical mechanics of 3-D helical flows is re-examined for a continuum truncated at a top wavenumber. Based on the principle of equipartition of the flow enstrophy between helical modes, the emerging (i energy spectrum law '–2' and (ii formal mathematical analogy between the helicity and the thermodynamic entropy are discussed. It is noted that the '–2' scaling law is consistent with both spectral equilibrium and spectral cascade paradigms. In an attempt to apply the obtained results to a turbulent flow regime within the Earth's outer liquid core, where the net helicity of a turbulent flow component is presumably explained by Earth's rotation, it has been noticed that it is the energy spectral law '–1', but not '–2', which is likely realized there and within the logarithmic accuracy corresponds to the case of the velocity structure function [u(l]2 independency on the spatial scale l, the latter is consistent with observations. It is argued that the '–1' scaling law can also be interpreted in terms of the spectral equilibrium and it is emphasized that the causes of the likely dominance of the spectral law '–1' over the spectral law '–2' in this geophysical application deserve further investigation and clarification.

  5. Equilibrium states of homogeneous sheared compressible turbulence

    Science.gov (United States)

    Riahi, M.; Lili, T.

    2011-06-01

    Equilibrium states of homogeneous compressible turbulence subjected to rapid shear is studied using rapid distortion theory (RDT). The purpose of this study is to determine the numerical solutions of unsteady linearized equations governing double correlations spectra evolution. In this work, RDT code developed by authors solves these equations for compressible homogeneous shear flows. Numerical integration of these equations is carried out using a second-order simple and accurate scheme. The two Mach numbers relevant to homogeneous shear flow are the turbulent Mach number Mt, given by the root mean square turbulent velocity fluctuations divided by the speed of sound, and the gradient Mach number Mg which is the mean shear rate times the transverse integral scale of the turbulence divided by the speed of sound. Validation of this code is performed by comparing RDT results with direct numerical simulation (DNS) of [A. Simone, G.N. Coleman, and C. Cambon, Fluid Mech. 330, 307 (1997)] and [S. Sarkar, J. Fluid Mech. 282, 163 (1995)] for various values of initial gradient Mach number Mg0. It was found that RDT is valid for small values of the non-dimensional times St (St 10) in particular for large values of Mg0. This essential feature justifies the resort to RDT in order to determine equilibrium states in the compressible regime.

  6. Equilibrium states of homogeneous sheared compressible turbulence

    Directory of Open Access Journals (Sweden)

    M. Riahi

    2011-06-01

    Full Text Available Equilibrium states of homogeneous compressible turbulence subjected to rapid shear is studied using rapid distortion theory (RDT. The purpose of this study is to determine the numerical solutions of unsteady linearized equations governing double correlations spectra evolution. In this work, RDT code developed by authors solves these equations for compressible homogeneous shear flows. Numerical integration of these equations is carried out using a second-order simple and accurate scheme. The two Mach numbers relevant to homogeneous shear flow are the turbulent Mach number Mt, given by the root mean square turbulent velocity fluctuations divided by the speed of sound, and the gradient Mach number Mg which is the mean shear rate times the transverse integral scale of the turbulence divided by the speed of sound. Validation of this code is performed by comparing RDT results with direct numerical simulation (DNS of [A. Simone, G.N. Coleman, and C. Cambon, Fluid Mech. 330, 307 (1997] and [S. Sarkar, J. Fluid Mech. 282, 163 (1995] for various values of initial gradient Mach number Mg0. It was found that RDT is valid for small values of the non-dimensional times St (St 10 in particular for large values of Mg0. This essential feature justifies the resort to RDT in order to determine equilibrium states in the compressible regime.

  7. Equilibrium bed—concentration of nonuniform sediment

    Institute of Scientific and Technical Information of China (English)

    孙志林; 孙志锋; DONAHUEJohn

    2003-01-01

    Knowledge of the equilibrium bed-concentration is vital to mathematical modeling of the river-bed deformation associated with suspended load but previous investigations only daelt with the reference concentra-tion of uniform sediment because of difficulties in observation of the bed-concentration.This work is a first at-tempe to develop a theoretical formula for the equilibrium bed-concentration of any fraction of nonumiform sedi-ment defined at the bed-surface.The formula is based on a stochastic-mechanistic model for the exchange of nonumiform sediment near the bed,and described as a function of incipient motion probability,non-ceasing probability,pick-up probability,and the ratio of the average single-step continuous motion time to static time.Comparison of bed-concentration calculated from the proposed formula with the measured data showed satisfac-tory agreement,indicating the present formula can be used for solving the differential equation governing the notion of suspended load.

  8. MHD Turbulent Mixing Layers: Equilibrium Cooling Models

    CERN Document Server

    Esquivel, A; Cho, J; Lazarian, A; Leitner, S N

    2006-01-01

    We present models of turbulent mixing at the boundaries between hot (T~10^{6-7} K) and warm material (T~10^4 K) in the interstellar medium, using a three-dimensional magnetohydrodynamical code, with radiative cooling. The source of turbulence in our simulations is a Kelvin-Helmholtz instability, produced by shear between the two media. We found, that because the growth rate of the large scale modes in the instability is rather slow, it takes a significant amount of time (~1 Myr) for turbulence to produce effective mixing. We find that the total column densities of the highly ionized species (C IV, N V, and O VI) per interface (assuming ionization equilibrium) are similar to previous steady-state non-equilibrium ionization models, but grow slowly from log N ~10^{11} to a few 10^{12} cm^{-2} as the interface evolves. However, the column density ratios can differ significantly from previous estimates, with an order of magnitude variation in N(C IV)/N(O VI) as the mixing develops.

  9. Equilibrium crystal phases of triblock Janus colloids

    Science.gov (United States)

    Reinhart, Wesley F.; Panagiotopoulos, Athanassios Z.

    2016-09-01

    Triblock Janus colloids, which are colloidal spheres decorated with attractive patches at each pole, have recently generated significant interest as potential building blocks for functional materials. Their inherent anisotropy is known to induce self-assembly into open structures at moderate temperatures and pressures, where they are stabilized over close-packed crystals by entropic effects. We present a numerical investigation of the equilibrium phases of triblock Janus particles with many different patch geometries in three dimensions, using Monte Carlo simulations combined with free energy calculations. In all cases, we find that the free energy difference between crystal polymorphs is less than 0.2 kBT per particle. By varying the patch fraction and interaction range, we show that large patches stabilize the formation of structures with four bonds per patch over those with three. This transition occurs abruptly above a patch fraction of 0.30 and has a strong dependence on the interaction range. Furthermore, we find that a short interaction range favors four bonds per patch, with longer range increasingly stabilizing structures with only three bonds per patch. By quantifying the effect of patch geometry on the stability of the equilibrium crystal structures, we provide insights into the fundamental design rules for constructing complex colloidal crystals.

  10. Non-equilibrium many body dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Creutz, M.; Gyulassy, M.

    1997-09-22

    This Riken BNL Research Center Symposium on Non-Equilibrium Many Body Physics was held on September 23-25, 1997 as part of the official opening ceremony of the Center at Brookhaven National Lab. A major objective of theoretical work at the center is to elaborate on the full spectrum of strong interaction physics based on QCD, including the physics of confinement and chiral symmetry breaking, the parton structure of hadrons and nuclei, and the phenomenology of ultra-relativistic nuclear collisions related to the up-coming experiments at RHIC. The opportunities and challenges of nuclear and particle physics in this area naturally involve aspects of the many body problem common to many other fields. The aim of this symposium was to find common theoretical threads in the area of non-equilibrium physics and modern transport theories. The program consisted of invited talks on a variety topics from the fields of atomic, condensed matter, plasma, astrophysics, cosmology, and chemistry, in addition to nuclear and particle physics. Separate abstracts have been indexed into the database for contributions to this workshop.

  11. Gyrokinetic Statistical Absolute Equilibrium and Turbulence

    Energy Technology Data Exchange (ETDEWEB)

    Jian-Zhou Zhu and Gregory W. Hammett

    2011-01-10

    A paradigm based on the absolute equilibrium of Galerkin-truncated inviscid systems to aid in understanding turbulence [T.-D. Lee, "On some statistical properties of hydrodynamical and magnetohydrodynamical fields," Q. Appl. Math. 10, 69 (1952)] is taken to study gyrokinetic plasma turbulence: A finite set of Fourier modes of the collisionless gyrokinetic equations are kept and the statistical equilibria are calculated; possible implications for plasma turbulence in various situations are discussed. For the case of two spatial and one velocity dimension, in the calculation with discretization also of velocity v with N grid points (where N + 1 quantities are conserved, corresponding to an energy invariant and N entropy-related invariants), the negative temperature states, corresponding to the condensation of the generalized energy into the lowest modes, are found. This indicates a generic feature of inverse energy cascade. Comparisons are made with some classical results, such as those of Charney-Hasegawa-Mima in the cold-ion limit. There is a universal shape for statistical equilibrium of gyrokinetics in three spatial and two velocity dimensions with just one conserved quantity. Possible physical relevance to turbulence, such as ITG zonal flows, and to a critical balance hypothesis are also discussed.

  12. The angular momentum of a relative equilibrium

    CERN Document Server

    Chenciner, Alain

    2011-01-01

    There are two main reasons why relative equilibria of N point masses under the influence of Newton attraction are mathematically more interesting to study when space dimension is at least 4: On the one hand, in a higher dimensional space, a relative equilibrium is determined not only by the initial configuration but also by the choice of a complex structure on the space where the motion takes place; in particular, its angular momentum depends on this choice; On the other hand, relative equilibria are not necessarily periodic: if the configuration is "balanced" but not central, the motion is in general quasi-periodic. In this exploratory paper we address the following question, which touches both aspects: what are the possible frequencies of the angular momentum of a given central (or balanced) configuration and at what values of these frequencies bifurcations from periodic to quasi-periodic relative equilibria do occur ? We give a full answer for relative equilibrium motions in dimension 4 and conjecture that...

  13. Entanglement equilibrium for higher order gravity

    Science.gov (United States)

    Bueno, Pablo; Min, Vincent S.; Speranza, Antony J.; Visser, Manus R.

    2017-02-01

    We show that the linearized higher derivative gravitational field equations are equivalent to an equilibrium condition on the entanglement entropy of small spherical regions in vacuum. This extends Jacobson's recent derivation of the Einstein equation using entanglement to include general higher derivative corrections. The corrections are naturally associated with the subleading divergences in the entanglement entropy, which take the form of a Wald entropy evaluated on the entangling surface. Variations of this Wald entropy are related to the field equations through an identity for causal diamonds in maximally symmetric spacetimes, which we derive for arbitrary higher derivative theories. If the variations are taken holding fixed a geometric functional that we call the generalized volume, the identity becomes an equivalence between the linearized constraints and the entanglement equilibrium condition. We note that the fully nonlinear higher curvature equations cannot be derived from the linearized equations applied to small balls, in contrast to the situation encountered in Einstein gravity. The generalized volume is a novel result of this work, and we speculate on its thermodynamic role in the first law of causal diamond mechanics, as well as its possible application to holographic complexity.

  14. Symmetries in fluctuations far from equilibrium.

    Science.gov (United States)

    Hurtado, Pablo I; Pérez-Espigares, Carlos; del Pozo, Jesús J; Garrido, Pedro L

    2011-05-10

    Fluctuations arise universally in nature as a reflection of the discrete microscopic world at the macroscopic level. Despite their apparent noisy origin, fluctuations encode fundamental aspects of the physics of the system at hand, crucial to understand irreversibility and nonequilibrium behavior. To sustain a given fluctuation, a system traverses a precise optimal path in phase space. Here we show that by demanding invariance of optimal paths under symmetry transformations, new and general fluctuation relations valid arbitrarily far from equilibrium are unveiled. This opens an unexplored route toward a deeper understanding of nonequilibrium physics by bringing symmetry principles to the realm of fluctuations. We illustrate this concept studying symmetries of the current distribution out of equilibrium. In particular we derive an isometric fluctuation relation that links in a strikingly simple manner the probabilities of any pair of isometric current fluctuations. This relation, which results from the time-reversibility of the dynamics, includes as a particular instance the Gallavotti-Cohen fluctuation theorem in this context but adds a completely new perspective on the high level of symmetry imposed by time-reversibility on the statistics of nonequilibrium fluctuations. The new symmetry implies remarkable hierarchies of equations for the current cumulants and the nonlinear response coefficients, going far beyond Onsager's reciprocity relations and Green-Kubo formulas. We confirm the validity of the new symmetry relation in extensive numerical simulations, and suggest that the idea of symmetry in fluctuations as invariance of optimal paths has far-reaching consequences in diverse fields.

  15. Equilibrium & Nonequilibrium Fluctuation Effects in Biopolymer Networks

    Science.gov (United States)

    Kachan, Devin Michael

    Fluctuation-induced interactions are an important organizing principle in a variety of soft matter systems. In this dissertation, I explore the role of both thermal and active fluctuations within cross-linked polymer networks. The systems I study are in large part inspired by the amazing physics found within the cytoskeleton of eukaryotic cells. I first predict and verify the existence of a thermal Casimir force between cross-linkers bound to a semi-flexible polymer. The calculation is complicated by the appearance of second order derivatives in the bending Hamiltonian for such polymers, which requires a careful evaluation of the the path integral formulation of the partition function in order to arrive at the physically correct continuum limit and properly address ultraviolet divergences. I find that cross linkers interact along a filament with an attractive logarithmic potential proportional to thermal energy. The proportionality constant depends on whether and how the cross linkers constrain the relative angle between the two filaments to which they are bound. The interaction has important implications for the synthesis of biopolymer bundles within cells. I model the cross-linkers as existing in two phases: bound to the bundle and free in solution. When the cross-linkers are bound, they behave as a one-dimensional gas of particles interacting with the Casimir force, while the free phase is a simple ideal gas. Demanding equilibrium between the two phases, I find a discontinuous transition between a sparsely and a densely bound bundle. This discontinuous condensation transition induced by the long-ranged nature of the Casimir interaction allows for a similarly abrupt structural transition in semiflexible filament networks between a low cross linker density isotropic phase and a higher cross link density bundle network. This work is supported by the results of finite element Brownian dynamics simulations of semiflexible filaments and transient cross-linkers. I

  16. Housing Price Fluctuations Across China: An Equilibrium Mechanism Perspective

    Institute of Scientific and Technical Information of China (English)

    ZHANG Hong; WENG Shaoqun; ZHOU Xuan

    2007-01-01

    The mechanisms affecting housing prices were studied using the equilibrium housing prices based on classic supply/demand theory. The fluctuations of the actual housing prices were then analyzed relative to the equilibrium prices. The equilibrium prices for each area were calculated from economic statistics and housing prices in 35 China metropolitan areas. The fluctuations of the actual prices are then manifested as functions of the equilibrium price, the mean reversion, and the autocorrelation coefficient. The results show that the equilibrium prices are determined by the basic economic conditions in China and that the equilibrium prices greatly affect the fluctuation of the actual prices, which return to the equilibrium price through self-adjustments. The data also shows that the actual prices in China have the trend of continuing to rise in the future.

  17. Comparative evaluation of kinetic, equilibrium and semi-equilibrium models for biomass gasification

    Directory of Open Access Journals (Sweden)

    Buljit Buragohain, Sankar Chakma, Peeush Kumar, Pinakeswar Mahanta, Vijayanand S. Moholkar

    2013-01-01

    Full Text Available Modeling of biomass gasification has been an active area of research for past two decades. In the published literature, three approaches have been adopted for the modeling of this process, viz. thermodynamic equilibrium, semi-equilibrium and kinetic. In this paper, we have attempted to present a comparative assessment of these three types of models for predicting outcome of the gasification process in a circulating fluidized bed gasifier. Two model biomass, viz. rice husk and wood particles, have been chosen for analysis, with gasification medium being air. Although the trends in molar composition, net yield and LHV of the producer gas predicted by three models are in concurrence, significant quantitative difference is seen in the results. Due to rather slow kinetics of char gasification and tar oxidation, carbon conversion achieved in single pass of biomass through the gasifier, calculated using kinetic model, is quite low, which adversely affects the yield and LHV of the producer gas. Although equilibrium and semi-equilibrium models reveal relative insensitivity of producer gas characteristics towards temperature, the kinetic model shows significant effect of temperature on LHV of the gas at low air ratios. Kinetic models also reveal volume of the gasifier to be an insignificant parameter, as the net yield and LHV of the gas resulting from 6 m and 10 m riser is same. On a whole, the analysis presented in this paper indicates that thermodynamic models are useful tools for quantitative assessment of the gasification process, while kinetic models provide physically more realistic picture.

  18. Comparative evaluation of kinetic, equilibrium and semi-equilibrium models for biomass gasification

    Energy Technology Data Exchange (ETDEWEB)

    Buragohain, Buljit [Center for Energy, Indian Institute of Technology Guwahati, Guwahati – 781 039, Assam (India); Chakma, Sankar; Kumar, Peeush [Department of Chemical Engineering, Indian Institute of Technology Guwahati, Guwahati – 781 039, Assam (India); Mahanta, Pinakeswar [Center for Energy, Indian Institute of Technology Guwahati, Guwahati – 781 039, Assam (India); Department of Mechanical Engineering, Indian Institute of Technology Guwahati, Guwahati – 781 039, Assam (India); Moholkar, Vijayanand S. [Center for Energy, Indian Institute of Technology Guwahati, Guwahati – 781 039, Assam (India); Department of Chemical Engineering, Indian Institute of Technology Guwahati, Guwahati – 781 039, Assam (India)

    2013-07-01

    Modeling of biomass gasification has been an active area of research for past two decades. In the published literature, three approaches have been adopted for the modeling of this process, viz. thermodynamic equilibrium, semi-equilibrium and kinetic. In this paper, we have attempted to present a comparative assessment of these three types of models for predicting outcome of the gasification process in a circulating fluidized bed gasifier. Two model biomass, viz. rice husk and wood particles, have been chosen for analysis, with gasification medium being air. Although the trends in molar composition, net yield and LHV of the producer gas predicted by three models are in concurrence, significant quantitative difference is seen in the results. Due to rather slow kinetics of char gasification and tar oxidation, carbon conversion achieved in single pass of biomass through the gasifier, calculated using kinetic model, is quite low, which adversely affects the yield and LHV of the producer gas. Although equilibrium and semi-equilibrium models reveal relative insensitivity of producer gas characteristics towards temperature, the kinetic model shows significant effect of temperature on LHV of the gas at low air ratios. Kinetic models also reveal volume of the gasifier to be an insignificant parameter, as the net yield and LHV of the gas resulting from 6 m and 10 m riser is same. On a whole, the analysis presented in this paper indicates that thermodynamic models are useful tools for quantitative assessment of the gasification process, while kinetic models provide physically more realistic picture.

  19. proEQUIB: IDL/GDL library for atomic level populations and line emissivities in statistical equilibrium

    Science.gov (United States)

    Danehkar, Ashkbiz

    2016-11-01

    The proEQUIB library calculates atomic level populations and line emissivities in statistical equilibrium in multi-level atoms for different physical conditions of stratified layers in a nebula where chemical elements are ionized. It includes an Interactive Data Language (IDL)/GNU Data Language (GDL) implementation of the Fortran code EQUIB (ascl:1603.005).

  20. 囊泡表面氨基酸信号分子与维生素B6衍生物受体反应平衡常数的估计%Estimation of the chemical equilibrium constants for amino acid signal molecules and a pyridoxal derivative receptor on bilayer vesicles

    Institute of Scientific and Technical Information of China (English)

    刘俏; 王剑锋; 赵明明; 范圣第

    2012-01-01

    To construct a novel artificial signal transduction supper molecular system whose receptor is a pyridoxal derivative (PL+C16) and signal molecule is amino acid, combination abilities of the receptor PL+C16 and different signal molecules have been investigated. 12 groups of experiments were first conveyed at 40 ℃, under various condition combinations of signal molecule (glycine,p~alanine, y-aminobutyric acid and aspartic acid) and pH values of buffer (7.0, 8.0 and 9.0). In each group of experiments, a series of absorbance values of reacting substances were measured corresponding different initiation concentrations of signal molecule. Then the results were modeled and fitted into nonlinear curves using the toolbox provided by MATLAB. Thus, the value of equilibrium constant K can be estimated and a quantitative assessment of the combination ability can be achieved. The experiment results show that the values of equilibrium constant K have significant difference using the same amino acid but different buffer pH values in reaction of receptor PL+C16 and signal molecule, and the constant K varies distinctively when keeping the pH values the same but using different kinds of amino acid. The results also show that the constant K becomes the largest when using aspartic acid as the signal molecule and the buffer pH is 9.0, and under this condition, the signal molecule exhibits the best combination ability with receptor PL+C16.%为了构建一个新的以维生素B6衍生物(PL+C16)为受体、氨基酸为信号分子的人工细胞信号转导超分子体系,测定在40℃、pH值分别为7.0、8.0及9.0的缓冲液体系下,4种信号分子(甘氨酸、β-丙氨酸、γ-氨基丁酸、天冬氨酸)在不同初始浓度下与受体PL+C16反应的吸光度,通过用MATLAB模型拟合工具包将其实验数据进行非线性拟合,估计反应的平衡常数K,定量考察了4种信号分子到达人工细胞膜载体表面与受体分子的结合能力.结果表明:不同p

  1. Hall MHD Equilibrium of Accelerated Compact Toroids

    Science.gov (United States)

    Howard, S. J.; Hwang, D. Q.; Horton, R. D.; Evans, R. W.; Brockington, S. J.

    2007-11-01

    We examine the structure and dynamics of the compact toroid's magnetic field. The compact toroid is dramatically accelerated by a large rail-gun Lorentz force density equal to j xB. We use magnetic data from the Compact Toroid Injection Experiment to answer the question of exactly where in the system j xB has nonzero values, and to what extent we can apply the standard model of force-free equilibrium. In particular we present a method of analysis of the magnetic field probe signals that allows direct comparison to the predictions of the Woltjer-Taylor force-free model and Turner's generalization of magnetic relaxation in the presence of a non-zero Hall term and fluid vorticity.

  2. Equilibrium figures of inhomogeneous synchronous binary asteroids

    Science.gov (United States)

    Descamps, P.

    2010-06-01

    The present paper deals with the application of the classical theory of equilibrium figures of two rotating liquid masses to the case where bodies exhibit a radially stratified internal density distribution so that they can be considered as inhomogeneous bodies. The derived ellipsoidal shape solutions are applied to five real systems of equal-sized synchronous asteroids. Furthermore, internal inhomogeneity puts strong constraints on the surface grain density. A satisfactory model fit is achieved with internal densities of asteroids steadily increasing outwards. In particular, from such an approach we derived grain densities of the considered systems in agreement with their mineralogical composition inferred from reflectance spectroscopy. According to this new approach, 4492 Debussy, presently of unknown spectral type, is predicted to appear as a C-type object with a grain density on the order of 2 g/cm 3.

  3. Punctuated equilibrium dynamics in human communications

    CERN Document Server

    Peng, Dan; Wei, Zong-Wen; Wang, Bing-Hong

    2014-01-01

    A minimal model based on individual interactions is proposed to study the non-Poisson statistical properties of human behavior: individuals in the system interact with their neighbors, the probability of an individual acting correlates to its activity, and all individuals involved in action will change their activities randomly. The model creates rich non-Poisson spatial-temporal properties in the activities of individuals, in agreement with the patterns of human communication behaviors. Our findings provide insight into various human activities, embracing a range of realistic social interacting systems, particularly, intriguing bimodal phenomenons. This model bridges priority queues and punctuated equilibrium, and our modeling and analysis is likely to shed light on non-Poisson phenomena in many complex systems.

  4. Open quantum systems far from equilibrium

    CERN Document Server

    Schaller, Gernot

    2014-01-01

    This monograph provides graduate students and also professional researchers aiming to understand the dynamics of open quantum systems with a valuable and self-contained toolbox. Special focus is laid on the link between microscopic models and the resulting open-system dynamics. This includes how to derive the celebrated Lindblad master equation without applying the rotating wave approximation. As typical representatives for non-equilibrium configurations it treats systems coupled to multiple reservoirs (including the description of quantum transport), driven systems, and feedback-controlled quantum systems. Each method is illustrated with easy-to-follow examples from recent research. Exercises and short summaries at the end of every chapter enable the reader to approach the frontiers of current research quickly and make the book useful for quick reference.

  5. Introduction to vortex filaments in equilibrium

    CERN Document Server

    Andersen, Timothy D

    2014-01-01

    This book presents fundamental concepts and seminal results to the study of vortex filaments in equilibrium. It also presents new discoveries in quasi-2D vortex structures with applications to geophysical fluid dynamics and magnetohydrodynamics in plasmas.  It fills a gap in the vortex statistics literature by simplifying the mathematical introduction to this complex topic, covering numerical methods, and exploring a wide range of applications with numerous examples. The authors have produced an introduction that is clear and easy to read, leading the reader step-by-step into this topical area. Alongside the theoretical concepts and mathematical formulations, interesting applications are discussed. This combination makes the text useful for students and researchers in mathematics and physics.

  6. Momentum representation for equilibrium reduced density matrices

    CERN Document Server

    Golovko, V A

    2011-01-01

    The hierarchy of equations for reduced density matrices that describes a thermodynamically equilibrium quantum system obtained earlier by the author is investigated in the momentum representation. In the paper it is shown that the use of the momentum representation opens up new opportunities in studies of macroscopic quantum systems both nonsuperfluid and superfluid. It is found that the distribution over momenta in a quantum fluid is not a Bose or Fermi distribution even in the limit of practically noninteracting particles. The distribution looks like a Maxwellian one although, strictly speaking, it is not Maxwellian. The momentum distribution in a quantum crystal depends upon the interaction potential and the crystalline structure. The momentum distribution in a superfluid contains a delta function. The momentum distribution for the condensate in a superfluid crystal consists of delta peaks that are arranged periodically in momentum space. The periodical structure remains if the condensate crystal is not su...

  7. General equilibrium shape equations of polymer chains.

    Science.gov (United States)

    Zhang, Shengli; Zuo, Xianjun; Xia, Minggang; Zhao, Shumin; Zhang, Erhu

    2004-11-01

    The general equilibrium shape equations of polymer chains are analytically derived in this paper. This provides a unified description for many models, such as the well-known wormlike chain (WLC) model, the wormlike rod chain (WLRC) model, carbon nanotubes, and so on. Using the WLC model, we find that the pitch-to-radius ratio of coils, 4.443, agrees with Z-DNA, and the pitch-to-radius ratio from WLRC agrees with the data of B-DNA qualitatively. Using the general shape equations, we discuss a chiral model in which the solutions of straight, helical, and circular biopolymers are given, respectively. We also find that the model suggested by Helfrich [Langmuir 7, 567 (1991)] is very appropriate to describe B-DNA (or other biopolymers) if we choose the four phenomenological parameters as A=50 nm , C=60 nm(2) , alpha=40 nm(3) , and beta=50 nm(2) .

  8. Nash equilibrium and multi criterion aerodynamic optimization

    Science.gov (United States)

    Tang, Zhili; Zhang, Lianhe

    2016-06-01

    Game theory and its particular Nash Equilibrium (NE) are gaining importance in solving Multi Criterion Optimization (MCO) in engineering problems over the past decade. The solution of a MCO problem can be viewed as a NE under the concept of competitive games. This paper surveyed/proposed four efficient algorithms for calculating a NE of a MCO problem. Existence and equivalence of the solution are analyzed and proved in the paper based on fixed point theorem. Specific virtual symmetric Nash game is also presented to set up an optimization strategy for single objective optimization problems. Two numerical examples are presented to verify proposed algorithms. One is mathematical functions' optimization to illustrate detailed numerical procedures of algorithms, the other is aerodynamic drag reduction of civil transport wing fuselage configuration by using virtual game. The successful application validates efficiency of algorithms in solving complex aerodynamic optimization problem.

  9. Pedestrian Route Choice by Iterated Equilibrium Search

    CERN Document Server

    Kretz, Tobias; Hofsäß, Ingmar

    2014-01-01

    In vehicular traffic planning it is a long standing problem how to assign demand such on the available model of a road network that an equilibrium with regard to travel time or generalized costs is realized. For pedestrian traffic this question can be asked as well. However, as the infrastructure of pedestrian dynamics is not a network (a graph), but two-dimensional, there is in principle an infinitely large set of routes. As a consequence none of the iterating assignment methods developed for road traffic can be applied for pedestrians. In this contribution a method to overcome this problem is briefly summarized and applied with an example geometry which as a result is enhanced with routes with intermediate destination areas of certain shape. The enhanced geometry is used in some exemplary assignment calculations.

  10. Approach to equilibrium for the stochastic NLS

    CERN Document Server

    Lebowitz, J L; Wang, W -M

    2012-01-01

    We study the approach to equilibrium, described by a Gibbs measure, for a system on a $d$-dimensional torus evolving according to a stochastic nonlinear Schr\\"odinger equation (SNLS) with a high frequency truncation. We prove exponential approach to the truncated Gibbs measure both for the focusing and defocusing cases when the dynamics is constrained via suitable boundary conditions to regions of the Fourier space where the Hamiltonian is convex. Our method is based on establishing a spectral gap for the non self-adjoint Fokker-Planck operator governing the time evolution of the measure, which is {\\it uniform} in the frequency truncation $N$. The limit $N\\to\\infty$ is discussed.

  11. Approach to Equilibrium for the Stochastic NLS

    Science.gov (United States)

    Lebowitz, J. L.; Mounaix, Ph.; Wang, W.-M.

    2013-07-01

    We study the approach to equilibrium, described by a Gibbs measure, for a system on a d-dimensional torus evolving according to a stochastic nonlinear Schrödinger equation (SNLS) with a high frequency truncation. We prove exponential approach to the truncated Gibbs measure both for the focusing and defocusing cases when the dynamics is constrained via suitable boundary conditions to regions of the Fourier space where the Hamiltonian is convex. Our method is based on establishing a spectral gap for the non self-adjoint Fokker-Planck operator governing the time evolution of the measure, which is uniform in the frequency truncation N. The limit N →∞ is discussed.

  12. Equilibrium statistical mechanics of lattice models

    CERN Document Server

    Lavis, David A

    2015-01-01

    Most interesting and difficult problems in equilibrium statistical mechanics concern models which exhibit phase transitions. For graduate students and more experienced researchers this book provides an invaluable reference source of approximate and exact solutions for a comprehensive range of such models. Part I contains background material on classical thermodynamics and statistical mechanics, together with a classification and survey of lattice models. The geometry of phase transitions is described and scaling theory is used to introduce critical exponents and scaling laws. An introduction is given to finite-size scaling, conformal invariance and Schramm—Loewner evolution. Part II contains accounts of classical mean-field methods. The parallels between Landau expansions and catastrophe theory are discussed and Ginzburg—Landau theory is introduced. The extension of mean-field theory to higher-orders is explored using the Kikuchi—Hijmans—De Boer hierarchy of approximations. In Part III the use of alge...

  13. Dynamic Stability of Equilibrium Capillary Drops

    Science.gov (United States)

    Feldman, William M.; Kim, Inwon C.

    2014-03-01

    We investigate a model for contact angle motion of quasi-static capillary drops resting on a horizontal plane. We prove global in time existence and long time behavior (convergence to equilibrium) in a class of star-shaped initial data for which we show that topological changes of drops can be ruled out for all times. Our result applies to any drop which is initially star-shaped with respect to a small ball inside the drop, given that the volume of the drop is sufficiently large. For the analysis, we combine geometric arguments based on the moving-plane type method with energy dissipation methods based on the formal gradient flow structure of the problem.

  14. The anelastic equilibrium tide in exoplanetary systems

    CERN Document Server

    Remus, F; Zahn, J -P; Lainey, V

    2012-01-01

    Earth-like planets have anelastic mantles, whereas giant planets may have anelastic cores. As for the fluid parts of a body, the tidal dissipation of such solid regions, gravitationally perturbed by a companion body, highly depends on its internal friction, and thus on its internal structure. Therefore, modelling this kind of interaction presents a high interest to provide constraints on planet interiors, whose properties are still quite uncertain. Here, we examine the equilibrium tide in the solid central region of a planet, taking into account the presence of a fluid envelope. We first present the equations governing the problem, and show how to obtain the different Love numbers that describe its deformation. We discuss how the quality factor Q depends on the rheological parameters, and the size of the core. Taking plausible values for the anelastic parameters, and examinig the frequency-dependence of the solid dissipation, we show how this mechanism may compete with the dissipation in fluid layers, when ap...

  15. The Fisher Market Game: Equilibrium and Welfare

    DEFF Research Database (Denmark)

    Branzei, Simina; Chen, Yiling; Deng, Xiaotie

    2014-01-01

    functions, which are three representative classes of utility functions in the important Constant Elasticity of Substitution (CES) family. Furthermore, to quantify the social efficiency, we prove Price of Anarchy bounds for the game when the utility functions of buyers fall into these three classes......The Fisher market model is one of the most fundamental resource allocation models in economics. In a Fisher market, the prices and allocations of goods are determined according to the preferences and budgets of buyers to clear the market. In a Fisher market game, however, buyers are strategic...... and report their preferences over goods; the market-clearing prices and allocations are then determined based on their reported preferences rather than their real preferences. We show that the Fisher market game always has a pure Nash equilibrium, for buyers with linear, Leontief, and Cobb-Douglas utility...

  16. Thermal equilibrium of two quantum Brownian particles

    CERN Document Server

    Valente, D M

    2009-01-01

    The influence of the environment in the thermal equilibrium properties of a bipartite continuous variable quantum system is studied. The problem is treated within a system-plus-reservoir approach. The considered model reproduces the conventional Brownian motion when the two particles are far apart and induces an effective interaction between them, depending on the choice of the spectral function of the bath. The coupling between the system and the environment guarantees the translational invariance of the system in the absence of an external potential. The entanglement between the particles is measured by the logarithmic negativity, which is shown to monotonically decrease with the increase of the temperature. A range of finite temperatures is found in which entanglement is still induced by the reservoir.

  17. The equilibrium classical scatter spectrum of waves

    CERN Document Server

    Guruprasad, V

    2016-01-01

    Regardless of the unspecific notions of photons as light complexes, radiation bundles or wave packets, the radiation from a single state transition is at most a single continuous wave train that starts and ends with the transition. The radiation equilibrium spectrum must be the superposition sum of the spectra of such wave trains. A classical equipartition of wave trains cannot diverge since they would be finite in number, whereas standing wave modes are by definition infinite, which had doomed Rayleigh's theory, and concern only the total radiation. Wave trains are the microscopic entities of radiation interacting with matter, that correspond to molecules in kinetic theory. Their quantization came from matter transitions in Einstein's 1917 derivation of Planck's law. The spectral scatter of wave trains by Doppler shifts, which cause the wavelength displacements in Wien's law used for the frequency dependence in Einstein's derivation, is shown to yield the shape of the Planck spectrum. A Lorentz transform pro...

  18. Thermal Equilibrium of a Macroscopic Quantum System in a Pure State

    Science.gov (United States)

    Goldstein, Sheldon; Huse, David A.; Lebowitz, Joel L.; Tumulka, Roderich

    2015-09-01

    We consider the notion of thermal equilibrium for an individual closed macroscopic quantum system in a pure state, i.e., described by a wave function. The macroscopic properties in thermal equilibrium of such a system, determined by its wave function, must be the same as those obtained from thermodynamics, e.g., spatial uniformity of temperature and chemical potential. When this is true we say that the system is in macroscopic thermal equilibrium (MATE). Such a system may, however, not be in microscopic thermal equilibrium (MITE). The latter requires that the reduced density matrices of small subsystems be close to those obtained from the microcanonical, equivalently the canonical, ensemble for the whole system. The distinction between MITE and MATE is particularly relevant for systems with many-body localization for which the energy eigenfuctions fail to be in MITE while necessarily most of them, but not all, are in MATE. We note, however, that for generic macroscopic systems, including those with MBL, most wave functions in an energy shell are in both MATE and MITE. For a classical macroscopic system, MATE holds for most phase points on the energy surface, but MITE fails to hold for any phase point.

  19. Need for Vapour-Liquid Equilibrium Data Generation of Systems Involving Green Solvents

    Directory of Open Access Journals (Sweden)

    V. M. Parsana

    2015-06-01

    Full Text Available Much has been said and written over the years regarding green chemistry concept and use of green solvents. The green solvents can potentially replace the traditional or classical solvents in order to reduce the environment footprint or their harmful impact on human being and/or environment. Vapour-liquid equilibrium data is indispensable for the design of distillation columns for separation processes which account for a large percentage of total costs in a typical chemical plant. Though extensive approach has been made for the replacement of traditional solvents, but not enough consideration been given for vapour-liquid equilibrium data, required for designing separation processes in case of replacement with green solvents. So this paper aims at encouraging vapour-liquid equilibrium data generation for design of efficient separation for binary systems involving ethereal green solvents such as cyclopentyl methyl ether (CPME and 2-methyl tetrahydrofuran (2-MeTHF. A brief review and outline of procedure for generating vapour-liquid equilibrium data is presented here.

  20. Equilibrium, kinetic and thermodynamic study of the biosorption of uranium onto Cystoseria indica algae

    Energy Technology Data Exchange (ETDEWEB)

    Khani, M.H. [Department of Chemical Engineering, Faculty of Engineering, University of Tarbiat Modares, P.O. Box 14115-111, Tehran (Iran, Islamic Republic of); Nuclear Science Research school, Nuclear Science and Technology Research Institute, P.O. Box 11365, 8486 Tehran (Iran, Islamic Republic of)], E-mail: mhkhani@modares.ac.ir; Keshtkar, A.R.; Ghannadi, M. [Nuclear Science Research school, Nuclear Science and Technology Research Institute, P.O. Box 11365, 8486 Tehran (Iran, Islamic Republic of); Pahlavanzadeh, H. [Department of Chemical Engineering, Faculty of Engineering, University of Tarbiat Modares, P.O. Box 14115-111, Tehran (Iran, Islamic Republic of)

    2008-02-11

    Biosorption equilibrium, kinetics and thermodynamics of binding of uranium ions to Cystoseria indica were studied in a batch system with respect to temperature and initial metal ion concentration. Algae biomass exhibited the highest uranium uptake capacity at 15 deg. C at an initial uranium ion concentration of 500 mg l{sup -1} and an initial pH of 4. Biosorption capacity increased from 198 to 233 mg g{sup -1} with an decrease in temperature from 45 to 15 deg. C at this initial uranium concentration. The Langmuir isotherm model were applied to experimental equilibrium data of uranium biosorption depending on temperature. Equilibrium data fitted very well to the Langmuir model C. indica algae in the studied concentration range of Uranium ions at all the temperatures studied. The saturation type kinetic model was applied to experimental data at different temperatures changing from 15 to 45 deg. C to describe the batch biosorption kinetics assuming that the external mass transfer limitations in the system can be neglected and biosorption is chemical sorption controlled. The activation energy of biosorption (E{sub A}) was determined as -6.15 using the Arrhenius equation. Using the thermodynamic equilibrium coefficients obtained at different temperatures, the thermodynamic constants of biosorption ({delta}G{sup o}, {delta}H{sup o} and {delta}S{sup o}) were also evaluated.

  1. Modeling of turbulent chemical reaction

    Science.gov (United States)

    Chen, J.-Y.

    1995-01-01

    Viewgraphs are presented on modeling turbulent reacting flows, regimes of turbulent combustion, regimes of premixed and regimes of non-premixed turbulent combustion, chemical closure models, flamelet model, conditional moment closure (CMC), NO(x) emissions from turbulent H2 jet flames, probability density function (PDF), departures from chemical equilibrium, mixing models for PDF methods, comparison of predicted and measured H2O mass fractions in turbulent nonpremixed jet flames, experimental evidence of preferential diffusion in turbulent jet flames, and computation of turbulent reacting flows.

  2. Interaction of non-equilibrium oxygen plasma with sintered graphite

    Science.gov (United States)

    Cvelbar, Uroš

    2013-03-01

    Samples made from sintered graphite with grain size of about 10 μm were exposed to highly non-equilibrium oxygen plasma created in a borosilicate glass tube by an electrodeless RF discharge. The density of charged particles was about 7 × 1015 m-3 and the neutral oxygen atom density 6 × 1021 m-3. The sample temperature was determined by a calibrated IR detector while the surface modifications were quantified by XPS and water drop techniques. The sample surface was rapidly saturated with carbonyl groups. Prolonged treatment of samples caused a decrease in concentration of the groups what was explained by thermal destruction. Therefore, the created functional groups were temperature dependent. The heating of samples resulted in extensive chemical interaction between the O atoms and samples what was best monitored by decreasing of the O atom density with increasing sample temperature. The saturation with functional groups could be restored only after cooling down of the samples and repeated short plasma treatment at low temperature.

  3. Self-organization in precipitation reactions far from the equilibrium.

    Science.gov (United States)

    Nakouzi, Elias; Steinbock, Oliver

    2016-08-01

    Far from the thermodynamic equilibrium, many precipitation reactions create complex product structures with fascinating features caused by their unusual origins. Unlike the dissipative patterns in other self-organizing reactions, these features can be permanent, suggesting potential applications in materials science and engineering. We review four distinct classes of precipitation reactions, describe similarities and differences, and discuss related challenges for theoretical studies. These classes are hollow micro- and macrotubes in chemical gardens, polycrystalline silica carbonate aggregates (biomorphs), Liesegang bands, and propagating precipitation-dissolution fronts. In many cases, these systems show intricate structural hierarchies that span from the nanometer scale into the macroscopic world. We summarize recent experimental progress that often involves growth under tightly regulated conditions by means of wet stamping, holographic heating, and controlled electric, magnetic, or pH perturbations. In this research field, progress requires mechanistic insights that cannot be derived from experiments alone. We discuss how mesoscopic aspects of the product structures can be modeled by reaction-transport equations and suggest important targets for future studies that should also include materials features at the nanoscale.

  4. Non-equilibrium plasma prevention of Schistosoma japonicum transmission.

    Science.gov (United States)

    Wang, Xing-Quan; Wang, Feng-Peng; Chen, Wei; Huang, Jun; Bazaka, Kateryna; Ostrikov, Kostya Ken

    2016-10-14

    Schistosoma japonicum is a widespread human and animal parasite that causes intestinal and hepatosplenic schistosomiasis linked to colon, liver and bladder cancers, and anemia. Estimated 230 million people are currently infected with Schistosoma spp, with 779 million people at risk of contracting the parasite. Infection occurs when a host comes into contact with cercariae, a planktonic larval stage of the parasite, and can be prevented by inactivating the larvae, commonly by chemical treatment. We investigated the use of physical non-equilibrium plasma generated at atmospheric pressure using custom-made dielectric barrier discharge reactor to kill S. japonicum cercariae. Survival rate decreased with treatment time and applied power. Plasmas generated in O2 and air gas discharges were more effective in killing S. japonicum cercariae than that generated in He, which is directly related to the mechanism by which cercariae are inactivated. Reactive oxygen species, such as O atoms, abundant in O2 plasma and NO in air plasma play a major role in killing of S. japonicum cercariae via oxidation mechanisms. Similar level of efficacy is also shown for a gliding arc discharge plasma jet generated in ambient air, a system that may be more appropriate for scale-up and integration into existing water treatment processes.

  5. Non-equilibrium plasma prevention of Schistosoma japonicum transmission

    Science.gov (United States)

    Wang, Xing-Quan; Wang, Feng-Peng; Chen, Wei; Huang, Jun; Bazaka, Kateryna; Ostrikov, Kostya (Ken)

    2016-10-01

    Schistosoma japonicum is a widespread human and animal parasite that causes intestinal and hepatosplenic schistosomiasis linked to colon, liver and bladder cancers, and anemia. Estimated 230 million people are currently infected with Schistosoma spp, with 779 million people at risk of contracting the parasite. Infection occurs when a host comes into contact with cercariae, a planktonic larval stage of the parasite, and can be prevented by inactivating the larvae, commonly by chemical treatment. We investigated the use of physical non-equilibrium plasma generated at atmospheric pressure using custom-made dielectric barrier discharge reactor to kill S. japonicum cercariae. Survival rate decreased with treatment time and applied power. Plasmas generated in O2 and air gas discharges were more effective in killing S. japonicum cercariae than that generated in He, which is directly related to the mechanism by which cercariae are inactivated. Reactive oxygen species, such as O atoms, abundant in O2 plasma and NO in air plasma play a major role in killing of S. japonicum cercariae via oxidation mechanisms. Similar level of efficacy is also shown for a gliding arc discharge plasma jet generated in ambient air, a system that may be more appropriate for scale-up and integration into existing water treatment processes.

  6. The effects of metallicity, UV radiation and non-equilibrium chemistry in high-resolution simulations of galaxies

    Science.gov (United States)

    Richings, A. J.; Schaye, Joop

    2016-05-01

    We present a series of hydrodynamic simulations of isolated galaxies with stellar mass of 109 M⊙. The models use a resolution of 750 M⊙ per particle and include a treatment for the full non-equilibrium chemical evolution of ions and molecules (157 species in total), along with gas cooling rates computed self-consistently using the non-equilibrium abundances. We compare these to simulations evolved using cooling rates calculated assuming chemical (including ionization) equilibrium, and we consider a wide range of metallicities and UV radiation fields, including a local prescription for self-shielding by gas and dust. We find higher star formation rates and stronger outflows at higher metallicity and for weaker radiation fields, as gas can more easily cool to a cold (few hundred Kelvin) star-forming phase under such conditions. Contrary to variations in the metallicity and the radiation field, non-equilibrium chemistry generally has no strong effect on the total star formation rates or outflow properties. However, it is important for modelling molecular outflows. For example, the mass of H2 outflowing with velocities {>}50 {km} {s}^{-1} is enhanced by a factor ˜20 in non-equilibrium. We also compute the observable line emission from C II and CO. Both are stronger at higher metallicity, while C II and CO emission are higher for stronger and weaker radiation fields, respectively. We find that C II is generally unaffected by non-equilibrium chemistry. However, emission from CO varies by a factor of ˜2-4. This has implications for the mean XCO conversion factor between CO emission and H2 column density, which we find is lowered by up to a factor ˜2.3 in non-equilibrium, and for the fraction of CO-dark molecular gas.

  7. General Equilibrium without Utility Functions: How far to go?

    DEFF Research Database (Denmark)

    Balasko, Yves; Tvede, Mich

    How far can we go in weakening the assumptions of the general equilibrium model? Existence of equilibrium, structural stability and finiteness of equilibria of regular economies, genericity of regular economies and an index formula for the equilibria of regular economies have been known not to re......How far can we go in weakening the assumptions of the general equilibrium model? Existence of equilibrium, structural stability and finiteness of equilibria of regular economies, genericity of regular economies and an index formula for the equilibria of regular economies have been known...... and the diffeomorphism of the equilibrium manifold with a Euclidean space; 2) the diffeomorphism of the set of no-trade equilibria with a Euclidean space; 3) the openness and genericity of the set of regular equilibria as a subset of the equilibrium manifold; 4) for small trade vectors, the uniqueness, regularity...

  8. Reactive Solute Transport in Streams: 1. Development of an Equilibrium-Based Model

    Science.gov (United States)

    Runkel, Robert L.; Bencala, Kenneth E.; Broshears, Robert E.; Chapra, Steven C.

    1996-02-01

    An equilibrium-based solute transport model is developed for the simulation of trace metal fate and transport in streams. The model is formed by coupling a solute transport model with a chemical equilibrium submodel based on MINTEQ. The solute transport model considers the physical processes of advection, dispersion, lateral inflow, and transient storage, while the equilibrium submodel considers the speciation and complexation of aqueous species, precipitation/dissolution and sorption. Within the model, reactions in the water column may result in the formation of solid phases (precipitates and sorbed species) that are subject to downstream transport and settling processes. Solid phases on the streambed may also interact with the water column through dissolution and sorption/desorption reactions. Consideration of both mobile (water-borne) and immobile (streambed) solid phases requires a unique set of governing differential equations and solution techniques that are developed herein. The partial differential equations describing physical transport and the algebraic equations describing chemical equilibria are coupled using the sequential iteration approach.

  9. Reactive solute transport in streams. 1. Development of an equilibrium- based model

    Science.gov (United States)

    Runkel, R.L.; Bencala, K.E.; Broshears, R.E.; Chapra, S.C.

    1996-01-01

    An equilibrium-based solute transport model is developed for the simulation of trace metal fate and transport in streams. The model is formed by coupling a solute transport model with a chemical equilibrium submodel based on MINTEQ. The solute transport model considers the physical processes of advection, dispersion, lateral inflow, and transient storage, while the equilibrium submodel considers the speciation and complexation of aqueous species, precipitation/dissolution and sorption. Within the model, reactions in the water column may result in the formation of solid phases (precipitates and sorbed species) that are subject to downstream transport and settling processes. Solid phases on the streambed may also interact with the water column through dissolution and sorption/desorption reactions. Consideration of both mobile (water-borne) and immobile (streambed) solid phases requires a unique set of governing differential equations and solution techniques that are developed herein. The partial differential equations describing physical transport and the algebraic equations describing chemical equilibria are coupled using the sequential iteration approach.

  10. Dynamic scaling for the growth of non-equilibrium fluctuations during thermophoretic diffusion in microgravity

    Science.gov (United States)

    Cerbino, Roberto; Sun, Yifei; Donev, Aleksandar; Vailati, Alberto

    2015-09-01

    Diffusion processes are widespread in biological and chemical systems, where they play a fundamental role in the exchange of substances at the cellular level and in determining the rate of chemical reactions. Recently, the classical picture that portrays diffusion as random uncorrelated motion of molecules has been revised, when it was shown that giant non-equilibrium fluctuations develop during diffusion processes. Under microgravity conditions and at steady-state, non-equilibrium fluctuations exhibit scale invariance and their size is only limited by the boundaries of the system. In this work, we investigate the onset of non-equilibrium concentration fluctuations induced by thermophoretic diffusion in microgravity, a regime not accessible to analytical calculations but of great relevance for the understanding of several natural and technological processes. A combination of state of the art simulations and experiments allows us to attain a fully quantitative description of the development of fluctuations during transient diffusion in microgravity. Both experiments and simulations show that during the onset the fluctuations exhibit scale invariance at large wave vectors. In a broader range of wave vectors simulations predict a spinodal-like growth of fluctuations, where the amplitude and length-scale of the dominant mode are determined by the thickness of the diffuse layer.

  11. Star formation and molecular hydrogen in dwarf galaxies: a non-equilibrium view

    CERN Document Server

    Hu, Chia-Yu; Walch, Stefanie; Glover, Simon C O; Clark, Paul C

    2015-01-01

    We study the connection of star formation to atomic (HI) and molecular hydrogen (H$_2$) in isolated, low metallicity dwarf galaxies with high-resolution ($m_{\\rm gas}$ = 4 M$_\\odot$, $N_{\\rm ngb}$ = 100) SPH simulations. The model includes self-gravity, non-equilibrium cooling, shielding from an interstellar radiation field, the chemistry of H$_2$ formation, H$_2$-independent star formation, supernova feedback and metal enrichment. We find that the H$_2$ mass fraction is sensitive to the adopted dust-to-gas ratio and the strength of the interstellar radiation field, while the star formation rate is not. Star formation is regulated by stellar feedback, keeping the gas out of thermal equilibrium for densities $n <$ 1 cm$^{-3}$. Because of the long chemical timescales, the H$_2$ mass remains out of chemical equilibrium throughout the simulation. Star formation is well-correlated with cold ( T $\\leqslant$ 100 K ) gas, but this dense and cold gas - the reservoir for star formation - is dominated by HI, not H$_2...

  12. Critical dynamics a field theory approach to equilibrium and non-equilibrium scaling behavior

    CERN Document Server

    Täuber, Uwe C

    2014-01-01

    Introducing a unified framework for describing and understanding complex interacting systems common in physics, chemistry, biology, ecology, and the social sciences, this comprehensive overview of dynamic critical phenomena covers the description of systems at thermal equilibrium, quantum systems, and non-equilibrium systems. Powerful mathematical techniques for dealing with complex dynamic systems are carefully introduced, including field-theoretic tools and the perturbative dynamical renormalization group approach, rapidly building up a mathematical toolbox of relevant skills. Heuristic and qualitative arguments outlining the essential theory behind each type of system are introduced at the start of each chapter, alongside real-world numerical and experimental data, firmly linking new mathematical techniques to their practical applications. Each chapter is supported by carefully tailored problems for solution, and comprehensive suggestions for further reading, making this an excellent introduction to critic...

  13. Non-equilibrium and band tailing in organic conductors

    Indian Academy of Sciences (India)

    A T Oza; P C Vinodkumar; R G Patel

    2003-03-01

    The concept of band tailing with focal point and width of the tail from IR absorption spectra of different organic conductors is found valid even for thermal and elastic changes. The experimental situations like change of solvents, method of preparation, applied pressure and pressure cycle apart from compositions is analyzed within the framework of tailing of states. Non-equilibrium due to coupling between applied energy and free electrons can be responsible for the exponential relaxation from non-equilibrium to equilibrium.

  14. Assessing Asian Equilibrium Exchange Rates as Policy Instruments

    OpenAIRE

    MASUJIMA Yuki

    2015-01-01

    This paper attempts to estimate the quarterly equilibrium exchange rates (EER) of nine Asian currencies (Japan, China, Korea, Hong Kong, Singapore, Thailand, Indonesia, Malaysia, and Philippines) with the Behavioral Equilibrium Exchange Rates (BEER) from 2006 to 2014. The BEER was compared with the Fundamental Equilibrium Exchange Rates (FEER) published biannually by the Peterson Institute for International Economics. While four Asian currencies tend to be undervalued in the Peterson's FEER a...

  15. Extraproximal approach to calculating equilibriums in pure exchange models

    Science.gov (United States)

    Antipin, A. S.

    2006-10-01

    Models of economic equilibrium are a powerful tool of mathematical modeling of various markets. However, according to many publications, there are as yet no universal techniques for finding equilibrium prices that are solutions to such models. A technique of this kind that is a natural implementation of the Walras idea of tatonnements (i.e., groping for equilibrium prices) is proposed, and its convergence is proved.

  16. Equilibrium Implications of Fiscal Policy with Tax Evasion

    DEFF Research Database (Denmark)

    Busato, Francesco; Chiarini, Bruno; Rey, Guido M.

    This paper studies equilibrium effects of fiscal policy disturbances within a dynamic general equilibrium model where tax evasion and underground activities are explicitly incorporated. There are three mainresults. (i) The underground sector mitigates the distortionary impact of fiscal policies......, while lesseningthe drop (and the rise) of aggregate production after restrictive (expansionary) tax shocks. (ii) Taxevasion and underground economy can rationalize expansionary response to contractionary fiscal policies;(iii) A dynamic general equilibrium with tax evasion gives a rational justification...

  17. DENSITY, EQUILIBRIUM HEAT OF FUSION AND EQUILIBRIUM MELTING TEMPERATURE OF NYLON 1010

    Institute of Scientific and Technical Information of China (English)

    FENG Jinhua; MO Zishen; CHEN Donglin

    1990-01-01

    The density, equilibrium heat of fusion and equilibrium melting temperature of Nylon 1010 were determined by means of infrared spectrum, differential scanning calorimetry, wide angle X-ray diffraction and density measurement techniques. According to Starkweather 's method crystalline density ρc and amorphous density ρa were estimated to be 1.098 and 1.003 g/cm3 respectively by extrapolating the straight lines of the IR absorbance against density to zero intensity. Owing to the less intense in absorbance and less sensitive to the change in crystallinity of the amorphors band the thus obtained ρc was too low in value.Thereby the value of the ratio ρc / ρa is far less than generally accepted mean value for most crystalline polymers. Accordingly, traditional X-raydiffraction method was used through determining the crystalline dimension(a=4.9(A), b=5.4(A) , c=27.8(A) , α=4 9 °β=77.0 °γ= 63.5 ° ) , and a rather correct value of ρc or the crystal density 1. 13 g/cm3 was obtained . The equilibrium heat of fusion Δ H 0m was estimated to be 244.0 J/g plotting Δ Hm's of specimens with different crystallinity against their corresponding specific volumes Vsp and extrapolating to completely crystalline condition ( Vcsp = 1 /ρc) As to the equilibrium melting temperature T0m ,because of the easiness ofrecrystallization of melt crystallized Nylon 1010 specimen ,the well-known Hoffman's Tm-Tc method failed in determining this value and an usually rarely used Kamide double extrapolation method was adopted. The so obtained value of T0m 487 seems to be fairly reasonable.

  18. Non-Poisson Processes: Regression to Equilibrium Versus Equilibrium Correlation Functions

    Science.gov (United States)

    2007-11-02

    76203-1427, USA cDipartimento di Fisica dell’Università di Pisa and INFM, Via Buonarroti 2, 56127 Pisa, Italy dIstituto dei Processi Chimico Fisici del...CNR, Area della Ricerca di Pisa, Via G. Moruzzi 1, 56124 Pisa, Italy eDipartimento di Fisica and INFM, Center for Statistical Mechanics and Complexity...prescriptions from equilibrium statistical physics is still applicable to complex dynamical phenomena and which are not. Herein we address the breakdown of

  19. Equilibrium and Non-Equilibrium Condensation Phenomena in Tuneable 3D and 2D Bose Gases

    Science.gov (United States)

    2016-04-01

    2D harmonic trap We have realised a 2D harmonically trapped 39K gas with tuneable interactions, and have performed measurements of the critical...condensed gas” which remains condensed far above the equilibrium critical temperature when the interaction strength in the gas is tuned to very low values [1...precision measurements and quantum information processing. Second, we performed one of the first studies (alongside Christophe Salomon’s group at ENS

  20. Abrupt PN junctions: Analytical solutions under equilibrium and non-equilibrium

    Science.gov (United States)

    Khorasani, Sina

    2016-08-01

    We present an explicit solution of carrier and field distributions in abrupt PN junctions under equilibrium. An accurate logarithmic numerical method is implemented and results are compared to the analytical solutions. Analysis of results shows reasonable agreement with numerical solution as well as the depletion layer approximation. We discuss extensions to the asymmetric junctions. Approximate relations for differential capacitance C-V and current-voltage I-V characteristics are also found under non-zero external bias.