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Sample records for thermodynamic equilibrium heat

  1. Local thermodynamic equilibrium in rapidly heated high energy density plasmas

    International Nuclear Information System (INIS)

    Aslanyan, V.; Tallents, G. J.

    2014-01-01

    Emission spectra and the dynamics of high energy density plasmas created by optical and Free Electron Lasers (FELs) depend on the populations of atomic levels. Calculations of plasma emission and ionization may be simplified by assuming Local Thermodynamic Equilibrium (LTE), where populations are given by the Saha-Boltzmann equation. LTE can be achieved at high densities when collisional processes are much more significant than radiative processes, but may not be valid if plasma conditions change rapidly. A collisional-radiative model has been used to calculate the times taken by carbon and iron plasmas to reach LTE at varying densities and heating rates. The effect of different energy deposition methods, as well as Ionization Potential Depression are explored. This work shows regimes in rapidly changing plasmas, such as those created by optical lasers and FELs, where the use of LTE is justified, because timescales for plasma changes are significantly longer than the times needed to achieve an LTE ionization balance

  2. 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...

  3. 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

  4. Non-equilibrium thermodynamics

    CERN Document Server

    De Groot, Sybren Ruurds

    1984-01-01

    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

  5. Equilibrium thermodynamics - Callen's postulational approach

    NARCIS (Netherlands)

    Jongschaap, R.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

  6. Non-equilibrium thermodynamics, heat transport and thermal waves in laminar and turbulent superfluid helium

    Science.gov (United States)

    Mongiovì, Maria Stella; Jou, David; Sciacca, Michele

    2018-01-01

    This review paper puts together some results concerning non equilibrium thermodynamics and heat transport properties of superfluid He II. A one-fluid extended model of superfluid helium, which considers heat flux as an additional independent variable, is presented, its microscopic bases are analyzed, and compared with the well known two-fluid model. In laminar situations, the fundamental fields are density, velocity, absolute temperature, and heat flux. Such a theory is able to describe the thermomechanical phenomena, the propagation of two sounds in liquid helium, and of fourth sound in superleak. It also leads in a natural way to a two-fluid model on purely macroscopical grounds and allows a small amount of entropy associated with the superfluid component. Other important features of liquid He II arise in rotating situations and in superfluid turbulence, both characterized by the presence of quantized vortices (thin vortex lines whose circulation is restricted by a quantum condition). Such vortices have a deep influence on the transport properties of superfluid helium, as they increase very much its thermal resistance. Thus, heat flux influences the vortices which, in turn, modify the heat flux. The dynamics of vortex lines is the central topic in turbulent superfluid helium. The model is generalized to take into account the vortices in different cases of physical interest: rotating superfluids, counterflow superfluid turbulence, combined counterflow and rotation, and mass flow in addition to heat flow. To do this, the averaged vortex line density per unit volume L, is introduced and its dynamical equations are considered. Linear and non-linear evolution equations for L are written for homogeneous and inhomogeneous, isotropic and anisotropic situations. Several physical experiments are analyzed and the influence of vortices on the effective thermal conductivity of turbulent superfluid helium is found. Transitions from laminar to turbulent flows, from diffusive to

  7. A thermodynamic analysis of non-equilibrium heat conduction in a semi-infinite medium subjected to a step change in temperature

    Energy Technology Data Exchange (ETDEWEB)

    Hussain, A.K.; Hussain, T.A.; Shahad, Haroun A.K. [Babylon Univ., Dept. of Mechanical Engineering, Babylon (Iraq)

    2003-05-01

    The problem of non-equilibrium heat conduction in a semi-infinite medium subjected to a step change in temperature is analyzed thermodynamically using the extended irreversible thermodynamic approach. The results show clearly the wave nature of the dimensionless temperature distribution, Stanton number and the dimensionless entropy change profiles. The non-equilibrium profiles approach the equilibrium profiles as the speed of wave propagation is increased. The results also show that the non-equilibrium temperature is higher than the equilibrium temperature but the difference decreases as the wave propagation speed increases. (Author)

  8. Fundamental functions in equilibrium thermodynamics

    NARCIS (Netherlands)

    Horst, H.J. ter

    In the standard presentations of the principles of Gibbsian equilibrium thermodynamics one can find several gaps in the logic. For a subject that is as widely used as equilibrium thermodynamics, it is of interest to clear up such questions of mathematical rigor. In this paper it is shown that using

  9. Thermodynamic evolution far from equilibrium

    Science.gov (United States)

    Khantuleva, Tatiana A.

    2018-05-01

    The presented model of thermodynamic evolution of an open system far from equilibrium is based on the modern results of nonequilibrium statistical mechanics, the nonlocal theory of nonequilibrium transport developed by the author and the Speed Gradient principle introduced in the theory of adaptive control. Transition to a description of the system internal structure evolution at the mesoscopic level allows a new insight at the stability problem of non-equilibrium processes. The new model is used in a number of specific tasks.

  10. Thermodynamic theory of equilibrium fluctuations

    International Nuclear Information System (INIS)

    Mishin, Y.

    2015-01-01

    The postulational basis of classical thermodynamics has been expanded to incorporate equilibrium fluctuations. The main additional elements of the proposed thermodynamic theory are the concept of quasi-equilibrium states, a definition of non-equilibrium entropy, a fundamental equation of state in the entropy representation, and a fluctuation postulate describing the probability distribution of macroscopic parameters of an isolated system. Although these elements introduce a statistical component that does not exist in classical thermodynamics, the logical structure of the theory is different from that of statistical mechanics and represents an expanded version of thermodynamics. Based on this theory, we present a regular procedure for calculations of equilibrium fluctuations of extensive parameters, intensive parameters and densities in systems with any number of fluctuating parameters. The proposed fluctuation formalism is demonstrated by four applications: (1) derivation of the complete set of fluctuation relations for a simple fluid in three different ensembles; (2) fluctuations in finite-reservoir systems interpolating between the canonical and micro-canonical ensembles; (3) derivation of fluctuation relations for excess properties of grain boundaries in binary solid solutions, and (4) derivation of the grain boundary width distribution for pre-melted grain boundaries in alloys. The last two applications offer an efficient fluctuation-based approach to calculations of interface excess properties and extraction of the disjoining potential in pre-melted grain boundaries. Possible future extensions of the theory are outlined.

  11. Heat and thermodynamics

    CERN Document Server

    Saxena, A K

    2014-01-01

    Heat and thermodynamics aims to serve as a textbook for Physics, Chemistry and Engineering students. The book covers basic ideas of Heat and Thermodynamics, Kinetic Theory and Transport Phenomena, Real Gases, Liquafaction and Production and Measurement of very Low Temperatures, The First Law of Thermodynamics, The Second and Third Laws of Thermodynamics and Heat Engines and Black Body Radiation. KEY FEATURES Emphasis on concepts Contains 145 illustrations (drawings), 9 Tables and 48 solved examples At the end of chapter exercises and objective questions

  12. Thermodynamic equilibrium-air correlations for flowfield applications

    Science.gov (United States)

    Zoby, E. V.; Moss, J. N.

    1981-01-01

    Equilibrium-air thermodynamic correlations have been developed for flowfield calculation procedures. A comparison between the postshock results computed by the correlation equations and detailed chemistry calculations is very good. The thermodynamic correlations are incorporated in an approximate inviscid flowfield code with a convective heating capability for the purpose of defining the thermodynamic environment through the shock layer. Comparisons of heating rates computed by the approximate code and a viscous-shock-layer method are good. In addition to presenting the thermodynamic correlations, the impact of several viscosity models on the convective heat transfer is demonstrated.

  13. Classical or equilibrium thermodynamics: basic conceptual aspects

    Directory of Open Access Journals (Sweden)

    Luiz Augusto Calvo Tiritan

    2008-08-01

    Full Text Available The Classical or Equilibrium Thermodynamics is one of the most consolidated fields of Physics. It is synthesized by a well-known and self coherent knowledge structure. The essence of the Classical Thermodynamics theoretical structure consists of a set of natural laws that rule the macroscopic physical systems behavior. These laws were formulated based on observations generalizations and are mostly independent of any hypotheses concerning the microscopic nature of the matter. In general, the approaches established for the Classical Thermodynamics follow one of the following alternatives: the historical approach that describes chronologically the evolution of ideas, concepts and facts, and the postulational approach in which postulates are formulated but are not demonstrated a priori but can be confirmed a posteriori. In this work, a brief review of the pre-classical historical approach conceptual evolution is elaborated, from the beginning of the seventeenth century to the middle of the nineteenth century. As for this, the following themes are dealt with in an evolutionary and phenomenological way: heat nature, thermometry, calorimetry, Carnot’s heat engine, heat mechanical equivalent and the first and second laws. The Zeroth law that was formulated afterwards is included in the discussion.

  14. 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.

  15. Thermodynamics and heat power

    CERN Document Server

    Granet, Irving

    2014-01-01

    Fundamental ConceptsIntroductionThermodynamic SystemsTemperatureForce and MassElementary Kinetic Theory of GasesPressureReviewKey TermsEquations Developed in This ChapterQuestionsProblemsWork, Energy, and HeatIntroductionWorkEnergyInternal EnergyPotential EnergyKinetic EnergyHeatFlow WorkNonflow WorkReviewKey TermsEquations Developed in This ChapterQuestionsProblemsFirst Law of ThermodynamicsIntroductionFirst Law of ThermodynamicsNonflow SystemSteady-Flow SystemApplications of First Law of ThermodynamicsReviewKey TermsEquations Developed in This ChapterQuestionsProblemsThe Second Law of ThermodynamicsIntroductionReversibility-Second Law of ThermodynamicsThe Carnot CycleEntropyReviewKey TermsEquations Developed in This ChapterQuestionsProblemsProperties of Liquids and GasesIntroductionLiquids and VaporsThermodynamic Properties of SteamComputerized PropertiesThermodynamic DiagramsProcessesReviewKey TermsEquations Developed in This ChapterQuestionsProblemsThe Ideal GasIntroductionBasic ConsiderationsSpecific Hea...

  16. 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...

  17. Equilibrium thermodynamics in modified gravitational theories

    International Nuclear Information System (INIS)

    Bamba, Kazuharu; Geng, C.-Q.; Tsujikawa, Shinji

    2010-01-01

    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,φ,X), where R is the Ricci scalar and X is the kinetic energy of a scalar field φ. This comes from a suitable definition of an energy-momentum tensor of the 'dark' component that respects to a local energy conservation in the Jordan frame. In this framework the horizon entropy S corresponding to equilibrium thermodynamics is equal to a quarter of the horizon area A in units of gravitational constant G, as in Einstein gravity. For a flat cosmological background with a decreasing Hubble parameter, S globally increases with time, as it happens for viable f(R) inflation and dark energy models. We also show that the equilibrium description in terms of the horizon entropy S is convenient because it takes into account the contribution of both the horizon entropy S in non-equilibrium thermodynamics and an entropy production term.

  18. Thermodynamic equilibrium in relativistic rotating systems

    International Nuclear Information System (INIS)

    Suen, W.M.; Washington Univ., St. Louis, MO; Young, K.

    1988-01-01

    The thermodynamic equilibrium configurations of relativistic rotating stars are studied using the maximum entropy principle. It is shown that the heuristic arguments for the equilibrium conditions can be developed into a maximum entropy principle in which the variations are carried out in a fixed background spacetime. This maximum principle with the fixed background assumption is technically simpler than, but has to be justified by, a maximum entropy principle without the assumption. Such a maximum entropy principle is formulated in this paper, showing that the general relativistic system can be treated on the same footing as other long-range force systems. (author)

  19. Thermodynamic and transport properties of gaseous tetrafluoromethane in chemical equilibrium

    Science.gov (United States)

    Hunt, J. L.; Boney, L. R.

    1973-01-01

    Equations and in computer code are presented for the thermodynamic and transport properties of gaseous, undissociated tetrafluoromethane (CF4) in chemical equilibrium. The computer code calculates the thermodynamic and transport properties of CF4 when given any two of five thermodynamic variables (entropy, temperature, volume, pressure, and enthalpy). Equilibrium thermodynamic and transport property data are tabulated and pressure-enthalpy diagrams are presented.

  20. 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.

  1. Non-equilibrium quantum heat machines

    International Nuclear Information System (INIS)

    Alicki, Robert; Gelbwaser-Klimovsky, David

    2015-01-01

    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. (paper)

  2. Chemical Equilibrium as Balance of the Thermodynamic Forces

    OpenAIRE

    Zilbergleyt, B.

    2004-01-01

    The article sets forth comprehensive basics of thermodynamics of chemical equilibrium as balance of the thermodynamic forces. Based on the linear equations of irreversible thermodynamics, De Donder definition of the thermodynamic force, and Le Chatelier's principle, new thermodynamics of chemical equilibrium offers an explicit account for multiple chemical interactions within the system. Basic relations between energetic characteristics of chemical transformations and reaction extents are bas...

  3. Hot nuclear matter and thermodynamical equilibrium

    International Nuclear Information System (INIS)

    Borderie, B.; Bacri, C.O.; Dore, D.; Frankland, J.D.; Plagnol, E.; Rivet, M.F.; Tassan-Got, L.

    1999-01-01

    Quasi-complete events from collisions between 36 Ar and 58 Ni corresponding to vaporized sources have been detected with the multidetector INDRA over the excitation energy range 10 - 28 AMeV. For the first time complete information concerning kinematical properties of emitted particles and chemical composition (mean values but also variances) are derived. Despite the very extreme conditions in which such sources are produced (binary collisions with short reaction times and source life-times), their properties are in agreement with the results of a statistical model including a final state excluded volume interaction and describing a gas of fermions and bosons in thermodynamical equilibrium. (authors)

  4. Fundamental Research in Engineering Education. Development of Concept Questions and Inquiry-Based Activities in Thermodynamics and Heat Transfer: An Example for Equilibrium vs. Steady-State

    Science.gov (United States)

    Vigeant, Margot; Prince, Michael; Nottis, Katharyn

    2011-01-01

    This study examines the use of inquiry-based instruction to promote the understanding of critical concepts in thermodynamics and heat transfer. Significant research shows that students frequently enter our courses with tightly held misconceptions about the physical world that are not effectively addressed through traditional instruction. Students'…

  5. Thermodynamics Far from Equilibrium: from Glasses to Black Holes

    OpenAIRE

    Nieuwenhuizen, Th. M.

    2001-01-01

    A framework for the non-equilibrium thermodynamics of glasses is discussed. It also explains the non-equilibrium thermodynamics of a black hole isolated from matter. The first and second laws of black dynamics and black hole thermodynamics are shown to coincide, while the third laws deal with different issues.

  6. Thermodynamic analysis of chemical heat pumps

    International Nuclear Information System (INIS)

    Obermeier, Jonas; Müller, Karsten; Arlt, Wolfgang

    2015-01-01

    Thermal energy storages and heat pump units represent an important part of high efficient renewable energy systems. By using thermally driven, reversible chemical reactions a combination of thermal energy storage and heat pump can be realized. The influences of thermophysical properties of the involved components on the efficiency of a heat pump cycle is analysed and the relevance of the thermodynamic driving force is worked out. In general, the behaviour of energetic and exergetic efficiency is contrary. In a real cycle, higher enthalpies of reaction decrease the energetic efficiency but increase the exergetic efficiency. Higher enthalpies of reaction allow for lower offsets from equilibrium state for a default thermodynamic driving force of the reaction. - Highlights: • A comprehensive efficiency analysis of gas-solid heat pumps is proposed. • Link between thermodynamic driving force and equilibrium drop is shown. • Calculation of the equilibrium drop based on thermochemical properties. • Reaction equilibria of the decomposition reaction of salt hydrates. • Contrary behavior of energetic and exergetic efficiency

  7. Teaching Chemical Equilibrium and Thermodynamics in Undergraduate General Chemistry Classes.

    Science.gov (United States)

    Banerjee, Anil C.

    1995-01-01

    Discusses some of the conceptual difficulties encountered by undergraduate students in learning certain aspects of chemical equilibrium and thermodynamics. Discusses teaching strategies for dealing with these difficulties. (JRH)

  8. Thermodynamic chemical energy transfer mechanisms of non-equilibrium, quasi-equilibrium, and equilibrium chemical reactions

    International Nuclear Information System (INIS)

    Roh, Heui-Seol

    2015-01-01

    Chemical energy transfer mechanisms at finite temperature are explored by a chemical energy transfer theory which is capable of investigating various chemical mechanisms of non-equilibrium, quasi-equilibrium, and equilibrium. Gibbs energy fluxes are obtained as a function of chemical potential, time, and displacement. Diffusion, convection, internal convection, and internal equilibrium chemical energy fluxes are demonstrated. The theory reveals that there are chemical energy flux gaps and broken discrete symmetries at the activation chemical potential, time, and displacement. The statistical, thermodynamic theory is the unification of diffusion and internal convection chemical reactions which reduces to the non-equilibrium generalization beyond the quasi-equilibrium theories of migration and diffusion processes. The relationship between kinetic theories of chemical and electrochemical reactions is also explored. The theory is applied to explore non-equilibrium chemical reactions as an illustration. Three variable separation constants indicate particle number constants and play key roles in describing the distinct chemical reaction mechanisms. The kinetics of chemical energy transfer accounts for the four control mechanisms of chemical reactions such as activation, concentration, transition, and film chemical reactions. - Highlights: • Chemical energy transfer theory is proposed for non-, quasi-, and equilibrium. • Gibbs energy fluxes are expressed by chemical potential, time, and displacement. • Relationship between chemical and electrochemical reactions is discussed. • Theory is applied to explore nonequilibrium energy transfer in chemical reactions. • Kinetics of non-equilibrium chemical reactions shows the four control mechanisms

  9. On the forces and fluxes in non-equilibrium thermodynamics

    International Nuclear Information System (INIS)

    Kitahara, Kazuo

    1986-01-01

    A formulation of non-equilibrium thermodynamics of continuum systems based on local equilibrium assumption is reported. Thermodynamic forces are defined from a generalized local entropy and irreversible fluxes are defined as non-advective parts of fluxes of conservative quantities. The validity of the general evolution criterion and its generalization is discussed. (author)

  10. Thermodynamics of open, nonisothermal chemical systems far from equilibrium

    International Nuclear Information System (INIS)

    Yoshida, Nobuo

    1992-01-01

    The thermodynamic behavior of kinetic models based on a continuously stirred tank reactor (CSTR) is studied in an attempt to seek general trends in the thermodynamic properties of open nonlinear systems. The models consist of two reversible reactions, A + nB rightleftharpoons (n + 1) B (n = 0,1,or 2) and B rightleftharpoons C, taking place in an adiabatic CSTR. The heat of reaction is incorporated, and the rate constants are assumed to follow an Arrhenius temperature dependence. The models give rise to multiple stationary states and sustained oscillations (limit cycles). The entropy difference between stationary or oscillatory states and equilibrium and the rate of entropy production in the these states are calculated as a function of the residence time in the reactor. The entropy difference and entropy production may be taken, to some extent, as indicative of the influence of irreversible processes, which disappears at equilibrium. The results of the calculations reveal the following systematic trends: (I) The entropy difference or entropy production for stable states or both always increase as the residence time is shortened, namely, as the system is displaced further from equilibrium. (II) If stable and unstable states (stationary or oscillatory) coexist under identical conditions, then the stable state invariably has a smaller value of the entropy difference or entropy production or both than the corresponding unstable state. 26 refs., 3 figs

  11. Modern thermodynamics from heat engines to dissipative structures

    CERN Document Server

    Kondepudi, Dilip

    2014-01-01

    Modern Thermodynamics: From Heat Engines to Dissipative Structures, Second Edition presents a comprehensive introduction to 20th century thermodynamics that can be applied to both equilibrium and non-equilibrium systems, unifying what was traditionally divided into 'thermodynamics' and 'kinetics' into one theory of irreversible processes. This comprehensive text, suitable for introductory as well as advanced courses on thermodynamics, has been widely used by chemists, physicists, engineers and geologists.  Fully revised and expanded, this new edition includes the following updates and featur

  12. Are the Concepts of Dynamic Equilibrium and the Thermodynamic Criteria for Spontaneity, Nonspontaneity, and Equilibrium Compatible?

    Science.gov (United States)

    Silverberg, Lee J.; Raff, Lionel M.

    2015-01-01

    Thermodynamic spontaneity-equilibrium criteria require that in a single-reaction system, reactions in either the forward or reverse direction at equilibrium be nonspontaneous. Conversely, the concept of dynamic equilibrium holds that forward and reverse reactions both occur at equal rates at equilibrium to the extent allowed by kinetic…

  13. Non-Equilibrium Thermodynamics of Self-Replicating Protocells

    DEFF Research Database (Denmark)

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

    2018-01-01

    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....

  14. Electrolytes: transport properties and non-equilibrium thermodynamics

    International Nuclear Information System (INIS)

    Miller, D.G.

    1980-12-01

    This paper presents a review on the application of non-equilibrium thermodynamics to transport in electrolyte solutions, and some recent experimental work and results for mutual diffusion in electrolyte solutions

  15. College Physical Chemistry Students' Conceptions of Equilibrium and Fundamental Thermodynamics.

    Science.gov (United States)

    Thomas, Peter L.; Schwenz, Richard W.

    1998-01-01

    Focuses on many alternative conceptions and nonconceptions about material related to equilibrium and thermodynamics. Uses interviews and compares the concepts from these with those expressed by experts in textbooks. (DDR)

  16. Vapor-liquid equilibrium thermodynamics of N2 + CH4 - Model and Titan applications

    Science.gov (United States)

    Thompson, W. R.; Zollweg, John A.; Gabis, David H.

    1992-01-01

    A thermodynamic model is presented for vapor-liquid equilibrium in the N2 + CH4 system, which is implicated in calculations of the Titan tropospheric clouds' vapor-liquid equilibrium thermodynamics. This model imposes constraints on the consistency of experimental equilibrium data, and embodies temperature effects by encompassing enthalpy data; it readily calculates the saturation criteria, condensate composition, and latent heat for a given pressure-temperature profile of the Titan atmosphere. The N2 content of condensate is about half of that computed from Raoult's law, and about 30 percent greater than that computed from Henry's law.

  17. Methane on Mars: Thermodynamic Equilibrium and Photochemical Calculations

    Science.gov (United States)

    Levine, J. S.; Summers, M. E.; Ewell, M.

    2010-01-01

    The detection of methane (CH4) in the atmosphere of Mars by Mars Express and Earth-based spectroscopy is very surprising, very puzzling, and very intriguing. On Earth, about 90% of atmospheric ozone is produced by living systems. A major question concerning methane on Mars is its origin - biological or geological. Thermodynamic equilibrium calculations indicated that methane cannot be produced by atmospheric chemical/photochemical reactions. Thermodynamic equilibrium calculations for three gases, methane, ammonia (NH3) and nitrous oxide (N2O) in the Earth s atmosphere are summarized in Table 1. The calculations indicate that these three gases should not exist in the Earth s atmosphere. Yet they do, with methane, ammonia and nitrous oxide enhanced 139, 50 and 12 orders of magnitude above their calculated thermodynamic equilibrium concentration due to the impact of life! Thermodynamic equilibrium calculations have been performed for the same three gases in the atmosphere of Mars based on the assumed composition of the Mars atmosphere shown in Table 2. The calculated thermodynamic equilibrium concentrations of the same three gases in the atmosphere of Mars is shown in Table 3. Clearly, based on thermodynamic equilibrium calculations, methane should not be present in the atmosphere of Mars, but it is in concentrations approaching 30 ppbv from three distinct regions on Mars.

  18. Supersymmetric Field Theory of Non-Equilibrium Thermodynamic System

    OpenAIRE

    Olemskoi, Alexander I.; Brazhnyi, Valerii A.

    1998-01-01

    On the basis of Langevin equation the optimal SUSY field scheme is formulated to discribe a non-equilibrium thermodynamic system with quenched disorder and non-ergodicity effects. Thermodynamic and isothermal susceptibilities, memory parameter and irreversible response are determined at different temperatures and quenched disorder intensities.

  19. Considerations on non equilibrium thermodynamics of interactions

    Science.gov (United States)

    Lucia, Umberto

    2016-04-01

    Nature can be considered the ;first; engineer! For scientists and engineers, dynamics and evolution of complex systems are not easy to predict. A fundamental approach to study complex system is thermodynamics. But, the result is the origin of too many schools of thermodynamics with a consequent difficulty in communication between thermodynamicists and other scientists and, also, among themselves. The solution is to obtain a unified approach based on the fundamentals of physics. Here we suggest a possible unification of the schools of thermodynamics starting from two fundamental concepts of physics, interaction and flows.

  20. Non-equilibrium thermodynamics in cells.

    Science.gov (United States)

    Jülicher, Frank; Grill, Stephan W; Salbreux, Guillaume

    2018-03-15

    We review the general hydrodynamic theory of active soft materials that is motivated in partic- ular by biological matter. We present basic concepts of irreversible thermodynamics of spatially extended multicomponent active systems. Starting from the rate of entropy production, we iden- tify conjugate thermodynamic fluxes and forces and present generic constitutive equations of polar active fluids and active gels. We also discuss angular momentum conservation which plays a role in the the physics of active chiral gels. The irreversible thermodynamics of active gels provides a general framework to discuss the physics that underlies a wide variety of biological processes in cells and in multicellular tissues. © 2018 IOP Publishing Ltd.

  1. Statistical thermodynamics of equilibrium polymers at interfaces

    NARCIS (Netherlands)

    Gucht, van der J.; Besseling, N.A.M.

    2002-01-01

    The behavior of a solution of equilibrium polymers (or living polymers) at an interface is studied, using a Bethe-Guggenheim lattice model for molecules with orientation dependent interactions. The density profile of polymers and the chain length distribution are calculated. For equilibrium polymers

  2. Dilepton production from quark gluon plasma using non-equilibrium thermodynamics

    International Nuclear Information System (INIS)

    Sinha, B.

    1984-01-01

    The importance of the approach phase to the thermodynamic equilibrium has been investigated for dilepton production from quark-gluon plasma - an effective temperature for the quarks as Brounian particle in a heat bath of gluons has been suggested. The spectrum for low invariant mass is, as a consequence, sharper

  3. 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.

  4. Quantum thermodynamics of nanoscale steady states far from equilibrium

    Science.gov (United States)

    Taniguchi, Nobuhiko

    2018-04-01

    We develop an exact quantum thermodynamic description for a noninteracting nanoscale steady state that couples strongly with multiple reservoirs. We demonstrate that there exists a steady-state extension of the thermodynamic function that correctly accounts for the multiterminal Landauer-Büttiker formula of quantum transport of charge, energy, or heat via the nonequilibrium thermodynamic relations. Its explicit form is obtained for a single bosonic or fermionic level in the wide-band limit, and corresponding thermodynamic forces (affinities) are identified. Nonlinear generalization of the Onsager reciprocity relations are derived. We suggest that the steady-state thermodynamic function is also capable of characterizing the heat current fluctuations of the critical transport where the thermal fluctuations dominate. Also, the suggested nonequilibrium steady-state thermodynamic relations seemingly persist for a spin-degenerate single level with local interaction.

  5. Equilibrium and out-of-equilibrium thermodynamics in supercooled liquids and glasses

    International Nuclear Information System (INIS)

    Mossa, S; Nave, E La; Tartaglia, P; Sciortino, F

    2003-01-01

    We review the inherent structure thermodynamical formalism and the formulation of an equation of state (EOS) for liquids in equilibrium based on the (volume) derivatives of the statistical properties of the potential energy surface. We also show that, under the hypothesis that during ageing the system explores states associated with equilibrium configurations, it is possible to generalize the proposed EOS to out-of-equilibrium (OOE) conditions. The proposed formulation is based on the introduction of one additional parameter which, in the chosen thermodynamic formalism, can be chosen as the local minimum where the slowly relaxing OOE liquid is trapped

  6. Experimental determination of thermodynamic equilibrium in biocatalytic transamination.

    Science.gov (United States)

    Tufvesson, Pär; Jensen, Jacob S; Kroutil, Wolfgang; Woodley, John M

    2012-08-01

    The equilibrium constant is a critical parameter for making rational design choices in biocatalytic transamination for the synthesis of chiral amines. However, very few reports are available in the scientific literature determining the equilibrium constant (K) for the transamination of ketones. Various methods for determining (or estimating) equilibrium have previously been suggested, both experimental as well as computational (based on group contribution methods). However, none of these were found suitable for determining the equilibrium constant for the transamination of ketones. Therefore, in this communication we suggest a simple experimental methodology which we hope will stimulate more accurate determination of thermodynamic equilibria when reporting the results of transaminase-catalyzed reactions in order to increase understanding of the relationship between substrate and product molecular structure on reaction thermodynamics. Copyright © 2012 Wiley Periodicals, Inc.

  7. Equilibrium Molecular Thermodynamics from Kirkwood Sampling

    OpenAIRE

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

    2015-01-01

    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, wher...

  8. Thermodynamics of ion exchange equilibrium for some uni ...

    African Journals Online (AJOL)

    The study on thermodynamics of ion exchange equilibrium for uni-univalent Cl-/I-, Cl-/Br-, and uni-divalent Cl-/SO42-, Cl-/C2O42- reaction systems was carried out using ion exchange resin Indion FF-IP. The equilibrium constant K was calculated by taking into account the activity coefficient of ions both in solution as well as ...

  9. Thermodynamics of Growth, Non-Equilibrium Thermodynamics of Bacterial Growth : The Phenomenological and the Mosaic Approach

    NARCIS (Netherlands)

    Westerhoff, Hans V.; Lolkema, Juke S.; Otto, Roel; Hellingwerf, K

    1982-01-01

    Microbial growth is analyzed in terms of mosaic and phenomenological non-equilibrium thermodynamics. It turns out that already existing parameters devised to measure bacterial growth, such as YATP, µ, and Qsubstrate, have as thermodynamic equivalents flow ratio, output flow and input flow. With this

  10. Irreversible thermodynamic analysis and application for molecular heat engines

    Science.gov (United States)

    Lucia, Umberto; Açıkkalp, Emin

    2017-09-01

    Is there a link between the macroscopic approach to irreversibility and microscopic behaviour of the systems? Consumption of free energy keeps the system away from a stable equilibrium. Entropy generation results from the redistribution of energy, momentum, mass and charge. This concept represents the essence of the thermodynamic approach to irreversibility. Irreversibility is the result of the interaction between systems and their environment. The aim of this paper is to determine lost works in a molecular engine and compare results with macro (classical) heat engines. Firstly, irreversible thermodynamics are reviewed for macro and molecular cycles. Secondly, irreversible thermodynamics approaches are applied for a quantum heat engine with -1/2 spin system. Finally, lost works are determined for considered system and results show that macro and molecular heat engines obey same limitations. Moreover, a quantum thermodynamic approach is suggested in order to explain the results previously obtained from an atomic viewpoint.

  11. Thermodynamics of the Rhodamine B Lactone--Zwitterion Equilibrium.

    Science.gov (United States)

    Hinckley, Daniel A.; Seybold, Paul G.

    1987-01-01

    Discusses the benefits of thermochromic transformations for studying thermodynamic properties. Describes an experiment that uses a commercially available dye, attains equilibrium rapidly, employs a simple, single-beam spectrophotometer, and is suitable for both physical chemistry and introductory chemistry laboratories. (TW)

  12. Kinetic, Equilibrium and thermodynamic studies on the biosorption ...

    African Journals Online (AJOL)

    The kinetics, equilibrium and thermodynamics of the biosorption of Cd (II) from aqueous solution by the leaf biomass of Calotropis procera popularly known in western Nigeria as 'bom bom'and genrally known as Sodom apple were investigated at different experimental conditions. Optimum conditions of pH, contact time, ...

  13. Thermodynamic equilibrium and heavy particles near a black hole

    Energy Technology Data Exchange (ETDEWEB)

    Zeldovich, Ya B [AN SSSR, Moscow

    1976-02-23

    The purpose of this letter is to point out, that thermodynamic equilibrium in general relativity corresponds to T(r)=Tsub(infinity)g/sub 00/sup(-1/2)=Tsub(infinity)..sqrt..(r/(r-rsub(g))). The last expression is written for a static non-rotating (Schwarzschild) black hole.

  14. Local equilibrium and the second law of thermodynamics for irreversible systems with thermodynamic inertia.

    Science.gov (United States)

    Glavatskiy, K S

    2015-10-28

    Validity of local equilibrium has been questioned for non-equilibrium systems which are characterized by delayed response. In particular, for systems with non-zero thermodynamic inertia, the assumption of local equilibrium leads to negative values of the entropy production, which is in contradiction with the second law of thermodynamics. In this paper, we address this question by suggesting a variational formulation of irreversible evolution of a system with non-zero thermodynamic inertia. We introduce the Lagrangian, which depends on the properties of the normal and the so-called "mirror-image" systems. We show that the standard evolution equations, in particular, the Maxwell-Cattaneo-Vernotte equation, can be derived from the variational procedure without going beyond the assumption of local equilibrium. We also argue that the second law of thermodynamics in non-equilibrium should be understood as a consequence of the variational procedure and the property of local equilibrium. For systems with instantaneous response this leads to the standard requirement of the local instantaneous entropy production being always positive. However, if a system is characterized by delayed response, the formulation of the second law of thermodynamics should be altered. In particular, the quantity, which is always positive, is not the instantaneous entropy production, but the entropy production averaged over a proper time interval.

  15. Local equilibrium and the second law of thermodynamics for irreversible systems with thermodynamic inertia

    International Nuclear Information System (INIS)

    Glavatskiy, K. S.

    2015-01-01

    Validity of local equilibrium has been questioned for non-equilibrium systems which are characterized by delayed response. In particular, for systems with non-zero thermodynamic inertia, the assumption of local equilibrium leads to negative values of the entropy production, which is in contradiction with the second law of thermodynamics. In this paper, we address this question by suggesting a variational formulation of irreversible evolution of a system with non-zero thermodynamic inertia. We introduce the Lagrangian, which depends on the properties of the normal and the so-called “mirror-image” systems. We show that the standard evolution equations, in particular, the Maxwell-Cattaneo-Vernotte equation, can be derived from the variational procedure without going beyond the assumption of local equilibrium. We also argue that the second law of thermodynamics in non-equilibrium should be understood as a consequence of the variational procedure and the property of local equilibrium. For systems with instantaneous response this leads to the standard requirement of the local instantaneous entropy production being always positive. However, if a system is characterized by delayed response, the formulation of the second law of thermodynamics should be altered. In particular, the quantity, which is always positive, is not the instantaneous entropy production, but the entropy production averaged over a proper time interval

  16. Equilibrium and thermodynamics of azo dyes biosorption onto Spirulina platensis

    Directory of Open Access Journals (Sweden)

    G. L. Dotto

    2013-03-01

    Full Text Available The equilibrium and thermodynamics of azo dye (tartrazine and allura red biosorption onto Spirulina platensis biomass were investigated. The equilibrium curves were obtained at 298, 308, 318 and 328 K, and four isotherm models were fitted the experimental data. Biosorption thermodynamic parameters (ΔG, ΔH and ΔS were estimated. The results showed that the biosorption was favored by a temperature decrease. For both dyes, the Sips model was the best to represent the equilibrium experimental data (R²>0.99 and ARE<5.0% and the maximum biosorption capacities were 363.2 and 468.7 mg g-1 for tartrazine and allura red, respectively, obtained at 298 K. The negative values of ΔG and ΔH showed that the biosorption of both dyes was spontaneous, favorable and exothermic. The positive values of ΔS suggested that the system disorder increases during the biosorption process.

  17. Stochastic thermodynamics of quantum maps with and without equilibrium.

    Science.gov (United States)

    Barra, Felipe; Lledó, Cristóbal

    2017-11-01

    We study stochastic thermodynamics for a quantum system of interest whose dynamics is described by a completely positive trace-preserving (CPTP) map as a result of its interaction with a thermal bath. We define CPTP maps with equilibrium as CPTP maps with an invariant state such that the entropy production due to the action of the map on the invariant state vanishes. Thermal maps are a subgroup of CPTP maps with equilibrium. In general, for CPTP maps, the thermodynamic quantities, such as the entropy production or work performed on the system, depend on the combined state of the system plus its environment. We show that these quantities can be written in terms of system properties for maps with equilibrium. The relations that we obtain are valid for arbitrary coupling strengths between the system and the thermal bath. The fluctuations of thermodynamic quantities are considered in the framework of a two-point measurement scheme. We derive the entropy production fluctuation theorem for general maps and a fluctuation relation for the stochastic work on a system that starts in the Gibbs state. Some simplifications for the probability distributions in the case of maps with equilibrium are presented. We illustrate our results by considering spin 1/2 systems under thermal maps, nonthermal maps with equilibrium, maps with nonequilibrium steady states, and concatenations of them. Finally, and as an important application, we consider a particular limit in which the concatenation of maps generates a continuous time evolution in Lindblad form for the system of interest, and we show that the concept of maps with and without equilibrium translates into Lindblad equations with and without quantum detailed balance, respectively. The consequences for the thermodynamic quantities in this limit are discussed.

  18. Thermodynamic efficiency of information and heat flow

    International Nuclear Information System (INIS)

    Allahverdyan, Armen E; Janzing, Dominik; Mahler, Guenter

    2009-01-01

    A basic task of information processing is information transfer (flow). Here we study a pair of Brownian particles each coupled to a thermal bath at temperatures T 1 and T 2 . The information flow in such a system is defined via the time-shifted mutual information. The information flow nullifies at equilibrium, and its efficiency is defined as the ratio of the flow to the total entropy production in the system. For a stationary state the information flows from higher to lower temperatures, and its efficiency is bounded from above by (max[T 1 ,T 2 ])/(|T 1 −T 2 |). This upper bound is imposed by the second law and it quantifies the thermodynamic cost for information flow in the present class of systems. It can be reached in the adiabatic situation, where the particles have widely different characteristic times. The efficiency of heat flow—defined as the heat flow over the total amount of dissipated heat—is limited from above by the same factor. There is a complementarity between heat and information flow: the set-up which is most efficient for the former is the least efficient for the latter and vice versa. The above bound for the efficiency can be (transiently) overcome in certain non-stationary situations, but the efficiency is still limited from above. We study yet another measure of information processing (transfer entropy) proposed in the literature. Though this measure does not require any thermodynamic cost, the information flow and transfer entropy are shown to be intimately related for stationary states

  19. Equilibrium sampling for a thermodynamic assessment of contaminated sediments

    DEFF Research Database (Denmark)

    ) govern diffusive uptake and partitioning. Equilibrium sampling of sediment was introduced 15 years ago to measure Cfree, and it has since developed into a straightforward, precise and sensitive approach for determining Cfree and other exposure parameters that allow for thermodynamic assessment...... of polluted sediments. Glass jars with µm-thin silicone coatings on the inner walls can be used for ex situ equilibration while a device housing several silicone-coated fibers can be used for in situ equilibration. In both cases, parallel sampling with varying silicone thicknesses can be applied to confirm...... will focus at the latest developments in equilibrium sampling concepts and methods. Further, we will explain how these approaches can provide a new basis for a thermodynamic assessment of polluted sediments....

  20. Understanding Non-equilibrium Thermodynamics Foundations, Applications, Frontiers

    CERN Document Server

    Jou, David; Lebon, Georgy

    2007-01-01

    This book offers a homogeneous presentation of the many faces of non-equilibrium thermodynamics. The first part is devoted to a description of the nowadays thermodynamic formalism recognized as the classical theory of non-equilibrium processes. This part of the book may serve as a basis to an introductory course dedicated to first-year graduate students in sciences and engineering. The classical description can however not be complete, as it rests on the hypothesis of local equilibrium. This has fostered the development of many theories going beyond local equilibrium and which cannot be put aside. The second part of the book is concerned with these different approaches, and will be of special interest for PhD students and researchers. For the sake of homogeneity, the authors have used the general structure and methods presented in the first part. Indeed, besides their differences, all these formalisms are not closed boxes but present some overlappings and parallelisms which are emphasized in this book. For pe...

  1. GEODAT. Development of thermodynamic data for the thermodynamic equilibrium modeling of processes in deep geothermal formations. Combined report

    International Nuclear Information System (INIS)

    Moog, Helge C.; Regenspurg, Simona; Voigt, Wolfgang

    2015-02-01

    The concept for geothermal energy application for electricity generation can be differentiated into three compartments: In the geologic compartment cooled fluid is pressed into a porous or fractured rock formation, in the borehole compartment a hot fluid is pumped to the surface and back into the geothermal reservoir, in the aboveground facility the energy is extracted from the geothermal fluid by heat exchangers. Pressure and temperature changes influence the thermodynamic equilibrium of a system. The modeling of a geothermal system has therefore to consider besides the mass transport the heat transport and consequently changing solution compositions and the pressure/temperature effected chemical equilibrium. The GEODAT project is aimed to simulate the reactive mass transport in a geothermal reservoir in the North German basin (Gross Schoenebeck). The project was performed by the cooperation of three partners: Geoforschungsinstitut Potsdam, Bergakademie Freiberg and GRS.

  2. The Rate-Controlled Constrained-Equilibrium Approach to Far-From-Local-Equilibrium Thermodynamics

    Directory of Open Access Journals (Sweden)

    Hameed Metghalchi

    2012-01-01

    Full Text Available The Rate-Controlled Constrained-Equilibrium (RCCE method for the description of the time-dependent behavior of dynamical systems in non-equilibrium states is a general, effective, physically based method for model order reduction that was originally developed in the framework of thermodynamics and chemical kinetics. A generalized mathematical formulation is presented here that allows including nonlinear constraints in non-local equilibrium systems characterized by the existence of a non-increasing Lyapunov functional under the system’s internal dynamics. The generalized formulation of RCCE enables to clarify the essentials of the method and the built-in general feature of thermodynamic consistency in the chemical kinetics context. In this paper, we work out the details of the method in a generalized mathematical-physics framework, but for definiteness we detail its well-known implementation in the traditional chemical kinetics framework. We detail proofs and spell out explicit functional dependences so as to bring out and clarify each underlying assumption of the method. In the standard context of chemical kinetics of ideal gas mixtures, we discuss the relations between the validity of the detailed balance condition off-equilibrium and the thermodynamic consistency of the method. We also discuss two examples of RCCE gas-phase combustion calculations to emphasize the constraint-dependent performance of the RCCE method.

  3. Finite-size polyelectrolyte bundles at thermodynamic equilibrium

    Science.gov (United States)

    Sayar, M.; Holm, C.

    2007-01-01

    We present the results of extensive computer simulations performed on solutions of monodisperse charged rod-like polyelectrolytes in the presence of trivalent counterions. To overcome energy barriers we used a combination of parallel tempering and hybrid Monte Carlo techniques. Our results show that for small values of the electrostatic interaction the solution mostly consists of dispersed single rods. The potential of mean force between the polyelectrolyte monomers yields an attractive interaction at short distances. For a range of larger values of the Bjerrum length, we find finite-size polyelectrolyte bundles at thermodynamic equilibrium. Further increase of the Bjerrum length eventually leads to phase separation and precipitation. We discuss the origin of the observed thermodynamic stability of the finite-size aggregates.

  4. Extended irreversible thermodynamics and non-equilibrium temperature

    Directory of Open Access Journals (Sweden)

    Casas-Vazquez, Jose'

    2008-02-01

    Full Text Available We briefly review the concept of non-equilibrium temperature from the perspectives of extended irreversible thermodynamics, fluctuation theory, and statistical mechanics. The relations between different proposals are explicitly examined in two especially simple systems: an ideal gas in steady shear flow and a forced harmonic oscillator in a thermal bath. We examine with special detail temperatures related to the average molecular kinetic energy along different spatial directions, to the average configurational energy, to the derivative of the entropy with respect to internal energy, to fluctuation-dissipation relation and discuss their measurement.

  5. Equilibrium econophysics: A unified formalism for neoclassical economics and equilibrium thermodynamics

    Science.gov (United States)

    Sousa, Tânia; Domingos, Tiago

    2006-11-01

    We develop a unified conceptual and mathematical structure for equilibrium econophysics, i.e., the use of concepts and tools of equilibrium thermodynamics in neoclassical microeconomics and vice versa. Within this conceptual structure the results obtained in microeconomic theory are: (1) the definition of irreversibility in economic behavior; (2) the clarification that the Engel curve and the offer curve are not descriptions of real processes dictated by the maximization of utility at constant endowment; (3) the derivation of a relation between elasticities proving that economic elasticities are not all independent; (4) the proof that Giffen goods do not exist in a stable equilibrium; (5) the derivation that ‘economic integrability’ is equivalent to the generalized Le Chatelier principle and (6) the definition of a first order phase transition, i.e., a transition between separate points in the utility function. In thermodynamics the results obtained are: (1) a relation between the non-dimensional isothermal and adiabatic compressibilities and the increase or decrease in the thermodynamic potentials; (2) the distinction between mathematical integrability and optimization behavior and (3) the generalization of the Clapeyron equation.

  6. Equilibrium and Thermodynamic Studies of Anionic Dyes Removal by an Anionic Clay-Layered Double Hydroxide

    International Nuclear Information System (INIS)

    Kantasamy, N.; Siti Mariam Sumari

    2016-01-01

    Adsorption isotherm describes the interaction of adsorbates with adsorbent in equilibrium. Equilibrium data was examined using Langmuir and Freundlich isotherm models. Thermodynamic studies were used to evaluate the thermodynamic parameters; heat of enthalpy change (ΔH degree), Gibbs free energy change (ΔG degree) and heat of entropy change (ΔSdegree) in order to gain information regarding the nature of adsorption (exothermic or endothermic). Four reactive dyes of anionic type, Acid Blue 29 (AB29), Reactive Black 5 (RB5), Reactive Orange 16 (RO16) and Reactive Red 120 (RR120) were used to obtain equilibrium isotherms at 25, 35, 45 and 55 degree Celsius. Based on Giles' classification, the isotherm produced were of L2-type, indicating strong dye affinity towards the adsorbent, and with weak competition with the solvent molecules for active adsorption sites. Equilibrium data fitted both Langmuir and Freundlich isotherm models with high correlation coefficient (R"2 > 0.91) indicating the possibility of both homogeneity and heterogeneous nature of adsorption. The negative values of ΔGdegree indicate the adsorption processes were spontaneous and feasible. The negative values of ΔHdegree lie between -20 to -75 kJ/ mol, suggesting these processes were exothermic and physical in nature. The negative values of ΔSdegree are indication of decreased disorder and randomness of spontaneous adsorption of reactive dyes on layered double hydroxide as adsorbent. (author)

  7. Exact analytical thermodynamic expressions for a Brownian heat engine

    Science.gov (United States)

    Taye, Mesfin Asfaw

    2015-09-01

    The nonequilibrium thermodynamics feature of a Brownian motor operating between two different heat baths is explored as a function of time t . Using the Gibbs entropy and Schnakenberg microscopic stochastic approach, we find exact closed form expressions for the free energy, the rate of entropy production, and the rate of entropy flow from the system to the outside. We show that when the system is out of equilibrium, it constantly produces entropy and at the same time extracts entropy out of the system. Its entropy production and extraction rates decrease in time and saturate to a constant value. In the long time limit, the rate of entropy production balances the rate of entropy extraction, and at equilibrium both entropy production and extraction rates become zero. Furthermore, via the present model, many thermodynamic theories can be checked.

  8. Computation of thermodynamic equilibrium in systems under stress

    Science.gov (United States)

    Vrijmoed, Johannes C.; Podladchikov, Yuri Y.

    2016-04-01

    Metamorphic reactions may be partly controlled by the local stress distribution as suggested by observations of phase assemblages around garnet inclusions related to an amphibolite shear zone in granulite of the Bergen Arcs in Norway. A particular example presented in fig. 14 of Mukai et al. [1] is discussed here. A garnet crystal embedded in a plagioclase matrix is replaced on the left side by a high pressure intergrowth of kyanite and quartz and on the right side by chlorite-amphibole. This texture apparently represents disequilibrium. In this case, the minerals adapt to the low pressure ambient conditions only where fluids were present. Alternatively, here we compute that this particular low pressure and high pressure assemblage around a stressed rigid inclusion such as garnet can coexist in equilibrium. To do the computations we developed the Thermolab software package. The core of the software package consists of Matlab functions that generate Gibbs energy of minerals and melts from the Holland and Powell database [2] and aqueous species from the SUPCRT92 database [3]. Most up to date solid solutions are included in a general formulation. The user provides a Matlab script to do the desired calculations using the core functions. Gibbs energy of all minerals, solutions and species are benchmarked versus THERMOCALC, PerpleX [4] and SUPCRT92 and are reproduced within round off computer error. Multi-component phase diagrams have been calculated using Gibbs minimization to benchmark with THERMOCALC and Perple_X. The Matlab script to compute equilibrium in a stressed system needs only two modifications of the standard phase diagram script. Firstly, Gibbs energy of phases considered in the calculation is generated for multiple values of thermodynamic pressure. Secondly, for the Gibbs minimization the proportion of the system at each particular thermodynamic pressure needs to be constrained. The user decides which part of the stress tensor is input as thermodynamic

  9. A survey of upwind methods for flows with equilibrium and non-equilibrium chemistry and thermodynamics

    Science.gov (United States)

    Grossman, B.; Garrett, J.; Cinnella, P.

    1989-01-01

    Several versions of flux-vector split and flux-difference split algorithms were compared with regard to general applicability and complexity. Test computations were performed using curve-fit equilibrium air chemistry for an M = 5 high-temperature inviscid flow over a wedge, and an M = 24.5 inviscid flow over a blunt cylinder for test computations; for these cases, little difference in accuracy was found among the versions of the same flux-split algorithm. For flows with nonequilibrium chemistry, the effects of the thermodynamic model on the development of flux-vector split and flux-difference split algorithms were investigated using an equilibrium model, a general nonequilibrium model, and a simplified model based on vibrational relaxation. Several numerical examples are presented, including nonequilibrium air chemistry in a high-temperature shock tube and nonequilibrium hydrogen-air chemistry in a supersonic diffuser.

  10. SOLGAS refined: A computerized thermodynamic equilibrium calculation tool

    Energy Technology Data Exchange (ETDEWEB)

    Trowbridge, L.D.; Leitnaker, J.M.

    1993-11-01

    SOLGAS, an early computer program for calculating equilibrium in a chemical system, has been made more user-friendly, and several{open_quote} bells and whistles{close_quotes} have been added. The necessity to include elemental species has been eliminated. The input of large numbers of starting conditions has been automated. A revised format for entering data simplifies and reduces chances for error. Calculated errors by SOLGAS are flagged, and several programming errors are corrected. Auxiliary programs are available to assemble and partially automate plotting of large amounts of data. Thermodynamic input data can be changed {open_quotes}on line.{close_quote} The program can be operated with or without a co-processor. Copies of the program, suitable for the IBM-PC or compatible with at least 384 bytes of low RAM, are available from the authors.

  11. Thermodynamic Equilibrium Calculations on Cd Transformation during Sewage Sludge Incineration.

    Science.gov (United States)

    Liu, Jing-yong; Huang, Limao; Sun, Shuiyu; Ning, Xun'an; Kuo, Jiahong; Sun, Jian; Wang, Yujie; Xie, Wuming

    2016-06-01

    Thermodynamic equilibrium calculations were performed to reveal the distribution of cadmium during the sewage sludge incineration process. During sludge incineration in the presence of major minerals, such as SiO2, Al2O3 and CaO, the strongest effect was exerted by SiO2 on the Cd transformation compared with the effect of others. The stable solid product of CdSiO3 was formed easily with the reaction between Cd and SiO2, which can restrain the emissions of gaseous Cd pollutants. CdCl2 was formed more easily in the presence of chloride during incineration, thus, the volatilization of Cd was advanced by increasing chlorine content. At low temperatures, the volatilization of Cd was restrained due to the formation of the refractory solid metal sulfate. At high temperatures, the speciation of Cd was not affected by the presence of sulfur, but sulfur could affect the formation temperature of gaseous metals.

  12. SOLGAS refined: A computerized thermodynamic equilibrium calculation tool

    International Nuclear Information System (INIS)

    Trowbridge, L.D.; Leitnaker, J.M.

    1993-11-01

    SOLGAS, an early computer program for calculating equilibrium in a chemical system, has been made more user-friendly, and several open-quote bells and whistlesclose quotes have been added. The necessity to include elemental species has been eliminated. The input of large numbers of starting conditions has been automated. A revised format for entering data simplifies and reduces chances for error. Calculated errors by SOLGAS are flagged, and several programming errors are corrected. Auxiliary programs are available to assemble and partially automate plotting of large amounts of data. Thermodynamic input data can be changed open-quotes on line.close-quote The program can be operated with or without a co-processor. Copies of the program, suitable for the IBM-PC or compatible with at least 384 bytes of low RAM, are available from the authors

  13. Application of constrained equilibrium thermodynamics to irradiated alloy systems

    Science.gov (United States)

    Holloway, James Paul; Stubbins, James F.

    1984-05-01

    Equilibrium thermodynamics are applied to systems with an excess of point defects to calculate the relative stability of phases. It is possible to model systems with supersaturation levels of vacancies and interstitials, such as those found under irradiation. The calculations reveal the extent to which phase compositional boundaries could shift when one phase or both in a two phase system contain an excess of point defects. Phase boundary shifts in the Ni-Si, Fe-Ni, Ni-Cr, and Fe-Cr systems are examined as a function of the number of excess defects in each phase. It is also found that the critical temperature of the sigma phase in the Fe-Cr system and the fcc-bcc transition in the Fe-Ni are sensitive to excess defect concentrations. These results may apply to local irradiation-induced phase transformations in the presence of solute segregation.

  14. Equilibrium sampling for a thermodynamic assessment of contaminated sediments

    DEFF Research Database (Denmark)

    Mayer, Philipp; Nørgaard Schmidt, Stine; Mäenpää, Kimmo

    Hydrophobic organic contaminants (HOCs) reaching the aquatic environment are largely stored in sediments. The risk of contaminated sediments is challenging to assess since traditional exhaustive extraction methods yield total HOC concentrations, whereas freely dissolved concentrations (Cfree......) govern diffusive uptake and partitioning. Equilibrium sampling of sediment was introduced 15 years ago to measure Cfree, and it has since developed into a straightforward, precise and sensitive approach for determining Cfree and other exposure parameters that allow for thermodynamic assessment...... of polluted sediments. Glass jars with µm-thin silicone coatings on the inner walls can be used for ex situ equilibration while a device housing several silicone-coated fibers can be used for in situ equilibration. In both cases, parallel sampling with varying silicone thicknesses can be applied to confirm...

  15. Heat pipe thermodynamic cycle and its applications

    International Nuclear Information System (INIS)

    Kobayashi, Y.

    1985-01-01

    A new type of thermodynamic cycle originating from extended application of the heat pipe principle is proposed and its thermal cycle is discussed from the viewpoint of theoretical thermal efficiency and Coefficient of Performance. An idealized structure that will meet the basic function for thermal systems is also suggested. A significant advantage of these systems is their use with lowtemperature energy sources found in nature or heat rejected from industrial sites

  16. Coronal and local thermodynamic equilibriums in a hollow cathode discharge

    International Nuclear Information System (INIS)

    Zheng Xutao

    2005-01-01

    A characteristic two-section profile of excited-state populations is observed in a hollow cathode discharge and is explained by coexistence of the coronal equilibrium (CE) and the local thermodynamic equilibrium (LTE). At helium pressure 0.1 Torr and cathode current 200-300 mA, vacuum ultraviolet radiations from He I 1snp 1 P (n=2-16) and He II np 2 P (n=2-14) are resolved with a 2.2-M McPherson spectrometer. Relative populations of these states are deduced from the discrete line intensities and are plotted against energy levels. For both the He I and He II series, as energy level increases, populations of high-n (n>10) states are found to decrease much more quickly than low-n (n<7) populations. While low-n populations are described with the CE dominated by direct electron-impact excitations, high-n populations are fitted with the LTE to calculate the population temperatures of gas atoms and ions. Validities of the CE and LTE in different n-ranges are considered on the competition between radiative decays of the excited states and their collisions with gas atoms. (author)

  17. The zeroth law of thermodynamics and volume-preserving conservative system in equilibrium with stochastic damping

    International Nuclear Information System (INIS)

    Qian, Hong

    2014-01-01

    We propose a mathematical formulation of the zeroth law of thermodynamics and develop a stochastic dynamical theory, with a consistent irreversible thermodynamics, for systems possessing sustained conservative stationary current in phase space while in equilibrium with a heat bath. The theory generalizes underdamped mechanical equilibrium: dx=gdt+{−D∇ϕdt+√(2D)dB(t)}, with ∇⋅g=0 and {⋯} respectively representing phase-volume preserving dynamics and stochastic damping. The zeroth law implies stationary distribution u ss (x)=e −ϕ(x) . We find an orthogonality ∇ϕ⋅g=0 as a hallmark of the system. Stochastic thermodynamics based on time reversal (t,ϕ,g)→(−t,ϕ,−g) is formulated: entropy production e p # (t)=−dF(t)/dt; generalized “heat” h d # (t)=−dU(t)/dt, U(t)=∫ R n ϕ(x)u(x,t)dx being “internal energy”, and “free energy” F(t)=U(t)+∫ R n u(x,t)lnu(x,t)dx never increases. Entropy follows (dS)/(dt) =e p # −h d # . Our formulation is shown to be consistent with an earlier theory of P. Ao. Its contradistinctions to other theories, potential-flux decomposition, stochastic Hamiltonian system with even and odd variables, Klein–Kramers equation, Freidlin–Wentzell's theory, and GENERIC, are discussed.

  18. Elemental transport coefficients in viscous plasma flows near local thermodynamic equilibrium

    International Nuclear Information System (INIS)

    Orsini, Alessio; Kustova, Elena V.

    2009-01-01

    We propose a convenient formulation of elemental transport coefficients in chemically reacting and plasma flows locally approaching thermodynamic equilibrium. A set of transport coefficients for elemental diffusion velocities, heat flux, and electric current is introduced. These coefficients relate the transport fluxes with the electric field and with the spatial gradients of elemental fractions, pressure, and temperature. The proposed formalism based on chemical elements and fully symmetric with the classical transport theory based on chemical species, is particularly suitable to model mixing and demixing phenomena due to diffusion of chemical elements. The aim of this work is threefold: to define a simple and rigorous framework suitable for numerical implementation, to allow order of magnitude estimations and qualitative predictions of elemental transport phenomena, and to gain a deeper insight into the physics of chemically reacting flows near local equilibrium.

  19. A consistent model for the equilibrium thermodynamic functions of partially ionized flibe plasma with Coulomb corrections

    International Nuclear Information System (INIS)

    Zaghloul, Mofreh R.

    2003-01-01

    Flibe (2LiF-BeF2) is a molten salt that has been chosen as the coolant and breeding material in many design studies of the inertial confinement fusion (ICF) chamber. Flibe plasmas are to be generated in the ICF chamber in a wide range of temperatures and densities. These plasmas are more complex than the plasma of any single chemical species. Nevertheless, the composition and thermodynamic properties of the resulting flibe plasmas are needed for the gas dynamics calculations and the determination of other design parameters in the ICF chamber. In this paper, a simple consistent model for determining the detailed plasma composition and thermodynamic functions of high-temperature, fully dissociated and partially ionized flibe gas is presented and used to calculate different thermodynamic properties of interest to fusion applications. The computed properties include the average ionization state; kinetic pressure; internal energy; specific heats; adiabatic exponent, as well as the sound speed. The presented results are computed under the assumptions of local thermodynamic equilibrium (LTE) and electro-neutrality. A criterion for the validity of the LTE assumption is presented and applied to the computed results. Other attempts in the literature are assessed with their implied inaccuracies pointed out and discussed

  20. Local thermodynamic equilibrium considerations in powerchip laser-induced plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Merten, Jonathan A., E-mail: jmerten@astate.edu; Smith, Benjamin W., E-mail: bwsmith@chem.ufl.edu; Omenetto, Nicoló, E-mail: omenetto@chem.ufl.edu

    2013-05-01

    Time-resolved emission experiments are reported in the fast-decaying transient plasma induced by a microchip laser on an aluminum target in three different cover gases, i.e., air, argon and helium. The laser operates at 532 nm, with a repetition frequency of 1 kHz and a pulse width of less than 0.5 ns. The overall persistence of plasma emission is of the order of 100 ns. We examine the existence of local thermodynamic equilibrium (LTE) by evaluating the temporal criteria required (in addition to the McWhirter criterion), as recommended by Cristoforetti et al. (Spectrochim. Acta Part B 65, 2010, 86–95). The temporal criteria examine the evolution of temperature and electron number density and compare their rate of change to the rate at which electron collisions can thermalize the change. These considerations are used to determine time windows in which LTE may be present. Our results suggest that calibration-free LIBS measurements with these lasers may be possible for some elements at early times, especially under argon. - Highlights: ► Powerchip laser-induced plasma evolution is affected by cover gas. ► Plasma often out of LTE, despite fulfilling the McWhirter criterion ► Calibration-free LIBS may be possible with powerchip laser plasmas.

  1. Local thermodynamic equilibrium considerations in powerchip laser-induced plasmas

    International Nuclear Information System (INIS)

    Merten, Jonathan A.; Smith, Benjamin W.; Omenetto, Nicoló

    2013-01-01

    Time-resolved emission experiments are reported in the fast-decaying transient plasma induced by a microchip laser on an aluminum target in three different cover gases, i.e., air, argon and helium. The laser operates at 532 nm, with a repetition frequency of 1 kHz and a pulse width of less than 0.5 ns. The overall persistence of plasma emission is of the order of 100 ns. We examine the existence of local thermodynamic equilibrium (LTE) by evaluating the temporal criteria required (in addition to the McWhirter criterion), as recommended by Cristoforetti et al. (Spectrochim. Acta Part B 65, 2010, 86–95). The temporal criteria examine the evolution of temperature and electron number density and compare their rate of change to the rate at which electron collisions can thermalize the change. These considerations are used to determine time windows in which LTE may be present. Our results suggest that calibration-free LIBS measurements with these lasers may be possible for some elements at early times, especially under argon. - Highlights: ► Powerchip laser-induced plasma evolution is affected by cover gas. ► Plasma often out of LTE, despite fulfilling the McWhirter criterion ► Calibration-free LIBS may be possible with powerchip laser plasmas

  2. Analysis of radioactive-matter interaction near thermodynamical equilibrium states

    International Nuclear Information System (INIS)

    Damamme, G.

    1993-01-01

    We study the absorption/emission process of photon by matter in the framework of a radiativo-collisionnal model of atom, a thermodynamical approach being used. The considered matter description is the atomic sphere one. First we give the expression of the balance equation around an equilibrium state. Then we express the atomic populations in function of the characteristics of the radiation and of the free electrons and of their time history. This permit us to interpret the photon balance as being due to true emission/absorption process of photons as well as fluorescence terms, all these processes being affected by relaxation effects. The total energy balance between matter and radiation can also be analyzed in the same way and conduct to introduce one photon effective interactions terms for each radiative proper mode, terms also affected by retardation effects. Such a taking into account of atom populations has no consequence on the radiative flux equation (i.e. the transfer opacity) but can considerably modify the energy balance between matter and radiation. (author). 11 refs., 3 figs

  3. Non-equilibrium statistical thermodynamics of neutron gas in reactor

    International Nuclear Information System (INIS)

    Hayasaka, Hideo

    1977-01-01

    The thermodynamic structures of non-equilibrium steady states of highly rarefied neutron gas in various media are considered for the irreversible processes owing to creative and destructive reactions of neutrons with nuclei of these media and supply from the external sources. Under the so-called clean and cold condition in reactor, the medium is regarded virtually as offering the different chemical potential fields for each subsystem of a steady neutron gas system. The fluctuations around a steady state are considered in a Markovian-Gaussian process. The generalized Einstein relations are derived for stationary neutron gas systems. The forces and flows of neutron gases in a medium are defined upon the general stationary solution of the Fokker-Planck equation. There exist the symmetry of the kinetic coefficients, and the minimum entropy production upon neutron-nuclear reactions. The distribution functions in various media are determined by each corresponding extremum condition under the vanishing of changes of the respective total entropies in the Gibbs equation. (auth.)

  4. Adiabatic equilibrium models for direct containment heating

    International Nuclear Information System (INIS)

    Pilch, M.; Allen, M.D.

    1991-01-01

    Probabilistic risk assessment (PRA) studies are being extended to include a wider spectrum of reactor plants than was considered in NUREG-1150. There is a need for simple direct containment heating (DCH) models that can be used for screening studies aimed at identifying potentially significant contributors to overall risk in individual nuclear power plants. This paper presents two adiabatic equilibrium models suitable for the task. The first, a single-cell model, places a true upper bound on DCH loads. This upper bound, however, often far exceeds reasonable expectations of containment loads based on CONTAIN calculations and experiment observations. In this paper, a two cell model is developed that captures the major mitigating feature of containment compartmentalization, thus providing more reasonable estimates of the containment load

  5. EquilTheTA: Thermodynamic and transport properties of complex equilibrium plasmas

    International Nuclear Information System (INIS)

    Colonna, G.; D'Angola, A.

    2012-01-01

    EquilTheTA (EQUILibrium for plasma THErmodynamics and Transport Applications) is a web-based software which calculates chemical equilibrium product concentrations from any set of reactants and determines thermodynamic and transport properties for the product mixture in wide temperature and pressure ranges. The program calculates chemical equilibrium by using a hierarchical approach, thermodynamic properties and transport coefficients starting from recent and accurate databases of atomic and molecular energy levels and collision integrals. In the calculations, Debye length and cut-off are consistently updated and virial corrections (up to third order) can be considered. Transport coefficients are calculated by using high order approximations of the Chapman-Enskog method.

  6. A redefinition of Hawking temperature on the event horizon: Thermodynamical equilibrium

    International Nuclear Information System (INIS)

    Saha, Subhajit; Chakraborty, Subenoy

    2012-01-01

    In this Letter we have used the recently introduced redefined Hawking temperature on the event horizon and investigated whether the generalized second law of thermodynamics (GSLT) and thermodynamic equilibrium holds for both the event and the apparent horizons. Here we have considered FRW universe and examined the GSLT and thermodynamic equilibrium with three examples. Finally, we have concluded that from the thermodynamic viewpoint, the universe bounded by the event horizon is more realistic than that by the apparent horizon at least for some examples.

  7. Thermodynamical interactions: subtleties of heat and work concepts

    International Nuclear Information System (INIS)

    Anacleto, Joaquim; Anacleto, Joaquim Alberto C

    2008-01-01

    This paper focuses on the determination of the final equilibrium state when two ideal gases, isolated from the exterior and starting from preset initial conditions, interact with each other through a piston. Depending on the piston properties, different processes take place and also different sets of equilibrium conditions must be satisfied. Three cases are analysed, namely, when (case 1) the piston is a heat conductor and free to move, (case 2) the piston allows heat conduction but its position is fixed, and (case 3) the piston is free to move but it is adiabatic (so no heat can be exchanged). Cases 1 and 2 have straightforward solutions, but it is shown that case 3 leads to an undeterminable final state. Even though this last situation seems to be strange and difficult, mechanical and thermodynamical analyses are performed. It is shown that the determinability of the final state depends on whether friction is considered or not. Carried out numerically, both analyses provide consistent results and not only do they enable an interesting and useful discussion regarding the concepts of energy, heat, work and entropy, but they also reinforce some ideas which were recently published

  8. Experimental determination of thermodynamic equilibrium in biocatalytic transamination

    DEFF Research Database (Denmark)

    Tufvesson, Pär; Jensen, Jacob Skibsted; Kroutil, Wolfgang

    2012-01-01

    The equilibrium constant is a critical parameter for making rational design choices in biocatalytic transamination for the synthesis of chiral amines. However, very few reports are available in the scientific literature determining the equilibrium constant (K) for the transamination of ketones....... Various methods for determining (or estimating) equilibrium have previously been suggested, both experimental as well as computational (based on group contribution methods). However, none of these were found suitable for determining the equilibrium constant for the transamination of ketones. Therefore...

  9. Thermodynamic properties and equilibrium constant of chemical reaction in nanosystem: An theoretical and experimental study

    International Nuclear Information System (INIS)

    Du, Jianping; Zhao, Ruihua; Xue, Yongqiang

    2012-01-01

    Highlights: ► There is an obvious influence of the size on thermodynamic properties for the reaction referring nano-reactants. ► Gibbs function, enthalpy, entropy and equilibrium constant are dependent on the reactant size. ► There is an approximate linear relation between them. - Abstract: The theoretical relations of thermodynamic properties, the equilibrium constant and reactant size in nanosystem are described. The effects of size on thermodynamic properties and the equilibrium constant were studied using nanosize zinc oxide and sodium bisulfate solution as a reaction system. The experimental results indicated that the molar Gibbs free energy, the molar enthalpy and the molar entropy of the reaction decrease, but the equilibrium constant increases with decreasing reactant size. Linear trends were observed between the reciprocal of size for nano-reactant and thermodynamic variable, which are consistent with the theoretical relations.

  10. Non-equilibrium thermodynamics of radiation-induced processes in solids

    International Nuclear Information System (INIS)

    Yurov, V.M.; Eshchanov, A.N.; Kuketaev, A.T.; Sidorenya, Yu.S.

    2005-01-01

    In the paper an item about a defect system response in solids on external action (temperature, pressure, light, etc.) from the point of view of non-equilibrium statistical thermodynamics is considered

  11. Studies on the formulation of thermodynamics and stochastic theory for systems far from equilibrium

    Energy Technology Data Exchange (ETDEWEB)

    Ross, J. [Stanford Univ., CA (United States)

    1995-12-31

    We have been working for some time on the formulation of thermodynamics and the theory of fluctuations in systems far from equilibrium and progress in several aspects of that development are reported here.

  12. Deviation from local thermodynamical equilibrium in the solar atmosphere. Metodology. The line source function

    International Nuclear Information System (INIS)

    Shchukina, N.G.

    1980-01-01

    The methodology of the problem of deviation from local thermodynamical equilibrium in the solar atmosphere is presented. The difficulties of solution and methods of realization are systematized. The processes of line formation are considered which take into account velocity fields, structural inhomogeneity, radiation non-coherence etc. as applied to a quiet solar atmosphere. The conclusion is made on the regularity of deviation of the local thermodynamic equilibrium in upper layers of the solar atmosphere

  13. Non-equilibrium thermodynamics, maximum entropy production and Earth-system evolution.

    Science.gov (United States)

    Kleidon, Axel

    2010-01-13

    The present-day atmosphere is in a unique state far from thermodynamic equilibrium. This uniqueness is for instance reflected in the high concentration of molecular oxygen and the low relative humidity in the atmosphere. Given that the concentration of atmospheric oxygen has likely increased throughout Earth-system history, we can ask whether this trend can be generalized to a trend of Earth-system evolution that is directed away from thermodynamic equilibrium, why we would expect such a trend to take place and what it would imply for Earth-system evolution as a whole. The justification for such a trend could be found in the proposed general principle of maximum entropy production (MEP), which states that non-equilibrium thermodynamic systems maintain steady states at which entropy production is maximized. Here, I justify and demonstrate this application of MEP to the Earth at the planetary scale. I first describe the non-equilibrium thermodynamic nature of Earth-system processes and distinguish processes that drive the system's state away from equilibrium from those that are directed towards equilibrium. I formulate the interactions among these processes from a thermodynamic perspective and then connect them to a holistic view of the planetary thermodynamic state of the Earth system. In conclusion, non-equilibrium thermodynamics and MEP have the potential to provide a simple and holistic theory of Earth-system functioning. This theory can be used to derive overall evolutionary trends of the Earth's past, identify the role that life plays in driving thermodynamic states far from equilibrium, identify habitability in other planetary environments and evaluate human impacts on Earth-system functioning. This journal is © 2010 The Royal Society

  14. 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…

  15. Is neoclassical microeconomics formally valid? An approach based on an analogy with equilibrium thermodynamics

    Energy Technology Data Exchange (ETDEWEB)

    Sousa, Tania; Domingos, Tiago [Environment and Energy Section, DEM, Instituto Superior Tecnico, Avenida Rovisco Pais, 1, 1049-001 Lisboa (Portugal)

    2006-06-10

    The relation between Thermodynamics and Economics is a paramount issue in Ecological Economics. Two different levels can be distinguished when discussing it: formal and substantive. At the formal level, a mathematical framework is used to describe both thermodynamic and economic systems. At the substantive level, thermodynamic laws are applied to economic processes. In Ecological Economics, there is a widespread claim that neoclassical economics has the same mathematical formulation as classical mechanics and is therefore fundamentally flawed because: (1) utility does not obey a conservation law as energy does; (2) an equilibrium theory cannot be used to study irreversible processes. Here, we show that neoclassical economics is based on a wrong formulation of classical mechanics, being in fact formally analogous to equilibrium thermodynamics. The similarity between both formalisms, namely that they are both cases of constrained optimisation, is easily perceived when thermodynamics is looked upon using the Tisza-Callen axiomatisation. In this paper, we take the formal analogy between equilibrium thermodynamics and economic systems far enough to answer the formal criticisms, proving that the formalism of neoclassical economics has irreversibility embedded in it. However, the formal similarity between equilibrium thermodynamics and neoclassical microeconomics does not mean that economic models are in accordance with mass, energy and entropy balance equations. In fact, neoclassical theory suffers from flaws in the substantive integration with thermodynamic laws as has already been fully demonstrated by valuable work done by ecological economists in this field. (author)

  16. Coherent application of a contact structure to formulate Classical Non-Equilibrium Thermodynamics

    NARCIS (Netherlands)

    Knobbe, E; Roekaerts, D.J.E.M.

    2017-01-01

    This contribution presents an outline of a new mathematical formulation for
    Classical Non-Equilibrium Thermodynamics (CNET) based on a contact
    structure in differential geometry. First a non-equilibrium state space is introduced as the third key element besides the first and second law of

  17. The Donnan equilibrium: I. On the thermodynamic foundation of the Donnan equation of state

    NARCIS (Netherlands)

    Philipse, A.P.; Vrij, A.

    2011-01-01

    The thermodynamic equilibrium between charged colloids and an electrolyte reservoir is named after Frederic Donnan who first published on it one century ago (Donnan 1911 Z. Electrochem. 17 572). One of the intriguing features of the Donnan equilibrium is the ensuing osmotic equation of state which

  18. Chemical equilibrium. [maximizing entropy of gas system to derive relations between thermodynamic variables

    Science.gov (United States)

    1976-01-01

    The entropy of a gas system with the number of particles subject to external control is maximized to derive relations between the thermodynamic variables that obtain at equilibrium. These relations are described in terms of the chemical potential, defined as equivalent partial derivatives of entropy, energy, enthalpy, free energy, or free enthalpy. At equilibrium, the change in total chemical potential must vanish. This fact is used to derive the equilibrium constants for chemical reactions in terms of the partition functions of the species involved in the reaction. Thus the equilibrium constants can be determined accurately, just as other thermodynamic properties, from a knowledge of the energy levels and degeneracies for the gas species involved. These equilibrium constants permit one to calculate the equilibrium concentrations or partial pressures of chemically reacting species that occur in gas mixtures at any given condition of pressure and temperature or volume and temperature.

  19. Thermodynamic quantities and defect equilibrium in La2-xSrxNiO4+δ

    International Nuclear Information System (INIS)

    Nakamura, Takashi; Yashiro, Keiji; Sato, Kazuhisa; Mizusaki, Junichiro

    2009-01-01

    In order to elucidate the relation between thermodynamic quantities, the defect structure, and the defect equilibrium in La 2-x Sr x NiO 4+δ , statistical thermodynamic calculation is carried out and calculated results are compared to those obtained from experimental data. Partial molar enthalpy of oxygen and partial molar entropy of oxygen are obtained from δ-P(O 2 )-T relation by using Gibbs-Helmholtz equation. Statistical thermodynamic model is derived from defect equilibrium models proposed before by authors, localized electron model and delocalized electron model which could well explain the variation of oxygen content of La 2-x Sr x NiO 4+δ . Although assumed defect species and their equilibrium are different, the results of thermodynamic calculation by localized electron model and delocalized electron model show minor difference. Calculated results by the both models agree with the thermodynamic quantities obtained from oxygen nonstoichiometry of La 2-x Sr x NiO 4+δ . - Graphical abstract: In order to elucidate the relation between thermodynamic quantities, the defect structure, and the defect equilibrium in La 2-x Sr x NiO 4+δ , statistics thermodynamic calculation is carried out and calculated results are compared to those obtained from experimental data.

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

    Science.gov (United States)

    Horowitz, Jordan M

    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.

  1. Thermodynamic criterions for heat exchanger networks design

    Energy Technology Data Exchange (ETDEWEB)

    Guiglion, C.; Farhat, S.; Pibouleau, L.; Domenech, S. (Ecole Nationale Superieure d' Ingenieurs de Genie Chimique, 31 - Toulouse (France))

    1994-03-01

    This problem under consideration consists in selecting a heat exchanger network able to carry out a given request in heatings and coolings, in steady-state behaviour with constant pressure, by using if necessary cold and hot utilities, and under the constraint [Delta] T [>=] e in order to restrict investment costs. The exchanged energy and the produced entropy are compared in terms of operating costs. According to the request to be satisfied and the constraints of utility consumption, it is shown that the goal to minimize the produced entropy more or less agrees with the goal to minimize the exchanged energy. In the last part, the case where the cost of utility use is assumed to be proportional to the flow rate, with a proportionality constant only depending on the input thermodynamic state, is studied thoroughly. Under this assumption, the minimization of operating costs is compatible with the minimization of exchanged energy, and can be obtained via the maximization of the difficulty of the request part, made without using utilities. This point is based on the notion of a request easier than another, which explicits the quite vague idea that a request is all the more easier because it involves less heatings at high temperatures and less coolings at low temperatures. (author). 5 refs., 1 fig.

  2. thermodynamics of ion exchange equilibrium for some uni

    African Journals Online (AJOL)

    a

    equilibrium studies [9-30], extending over a wide range of composition of solution and ... by dissolving their corresponding potassium salts (Analytical grade) in distilled ... calculated from which average value of K for that set of experiment was ...

  3. The thermodynamics of heat- and mass exchange in chemical engineering. Vol. 1. 2. rev. ed.

    International Nuclear Information System (INIS)

    Matz, G.

    1979-01-01

    The second and completely revised edition of the approved textbook 'The thermodynamics of heat- and mass exchange in chemical engineering' is devoted to students of technical and natural science disciplines as well as to practicians and scientists, which are confronted with thermodynamical problems of chemical engineering. Starting from the different phases and properties of matter, the first and the second law of thermodynamics are discussed together with many applications. After an introduction of the equilibrium state, the general principle of similarity for heat- and mass exchange is discussed, considering in particular the heat- and mass exchange in the counter flow between two phases. In a final chapter, the heat- and mass exchange between the vapor- and liquid phase is discussed, with special emphasis on problems as evaporation and drying. (orig./HK) [de

  4. Study of ion exchange equilibrium and determination of heat of ion exchange by ion chromatography

    International Nuclear Information System (INIS)

    Liu Kailu; Yang Wenying

    1996-01-01

    Ion chromatography using pellicularia ion exchange resins and dilute solution can be devoted to the study of ion exchange thermodynamics and kinetics. Ion exchange equilibrium equation was obtained, and examined by the experiments. Based on ion exchange equilibrium, the influence of eluent concentration and resin capacity on adjusted retention volumes was examined. The effect of temperature on adjusted retention volumes was investigated and heats of ion exchange of seven anions were determined by ion chromatography. The interaction between anions and skeleton structure of resins were observed

  5. Thermodynamic formalism the mathematical structures of equilibrium statistical mechanics

    CERN Document Server

    Ruelle, David

    2004-01-01

    Reissued in the Cambridge Mathematical Library, this classic book outlines the theory of thermodynamic formalism which was developed to describe the properties of certain physical systems consisting of a large number of subunits. Background material on physics has been collected in appendices to help the reader. Supplementary work is provided in the form of exercises and problems that were "open" at the original time of writing.

  6. Thermodynamic optimization of heat exchanger tanks by exergy ...

    African Journals Online (AJOL)

    The paper introduces heat exchanger tanks, detailing their dominant thermodynamic relations to obtain the exergy analysis relations of heat exchanger tanks. Heat exchanger tank is examined under various laboratory conditions, including the power of heat element inside the tank, mass flow rate of cooling water of tank ...

  7. Non-equilibrium Thermodynamics and the Production of Entropy Life, Earth, and Beyond

    CERN Document Server

    Kleidon, Axel

    2005-01-01

    The present volume studies the application of concepts from non-equilibrium thermodynamics to a variety of research topics. Emphasis is on the Maximum Entropy Production (MEP) principle and applications to Geosphere-Biosphere couplings. Written by leading researchers form a wide range of background, the book proposed to give a first coherent account of an emerging field at the interface of thermodynamics, geophysics and life sciences.

  8. Optimization of powered Stirling heat engine with finite speed thermodynamics

    International Nuclear Information System (INIS)

    Ahmadi, Mohammad H.; Ahmadi, Mohammad Ali; Pourfayaz, Fathollah; Bidi, Mokhtar; Hosseinzade, Hadi; Feidt, Michel

    2016-01-01

    Highlights: • Based on finite speed method and direct method, the optimal performance is investigated. • The effects of major parameters on the optimal performance are investigated. • The accuracy of the results was compared with previous works. - Abstract: Popular thermodynamic analyses including finite time thermodynamic analysis was lately developed based upon external irreversibilities while internal irreversibilities such as friction, pressure drop and entropy generation were not considered. The aforementioned disadvantage reduces the reliability of the finite time thermodynamic analysis in the design of an accurate Stirling engine model. Consequently, the finite time thermodynamic analysis could not sufficiently satisfy researchers for implementing in design and optimization issues. In this study, finite speed thermodynamic analysis was employed instead of finite time thermodynamic analysis for studying Stirling heat engine. The finite speed thermodynamic analysis approach is based on the first law of thermodynamics for a closed system with finite speed and the direct method. The effects of heat source temperature, regenerating effectiveness, volumetric ratio, piston stroke as well as rotational speed are included in the analysis. Moreover, maximum output power in optimal rotational speed was calculated while pressure losses in the Stirling engine were systematically considered. The result reveals the accuracy and the reliability of the finite speed thermodynamic method in thermodynamic analysis of Stirling heat engine. The outcomes can help researchers in the design of an appropriate and efficient Stirling engine.

  9. Equilibrium, kinetic and thermodynamic studies of uranium biosorption by calcium alginate beads

    International Nuclear Information System (INIS)

    Bai, Jing; Fan, Fangli; Wu, Xiaolei; Tian, Wei; Zhao, Liang; Yin, Xiaojie; Fan, Fuyou; Li, Zhan; Tian, Longlong; Wang, Yang; Qin, Zhi; Guo, Junsheng

    2013-01-01

    Calcium alginate beads are potential biosorbent for radionuclides removal as they contain carboxyl groups. However, until now limited information is available concerning the uptake behavior of uranium by this polymer gel, especially when sorption equilibrium, kinetics and thermodynamics are concerned. In present work, batch experiments were carried out to study the equilibrium, kinetics and thermodynamics of uranium sorption by calcium alginate beads. The effects of initial solution pH, sorbent amount, initial uranium concentration and temperature on uranium sorption were also investigated. The determined optimal conditions were: initial solution pH of 3.0, added sorbent amount of 40 mg, and uranium sorption capacity increased with increasing initial uranium concentration and temperature. Equilibrium data obtained under different temperatures were fitted better with Langmuir model than Freundlich model, uranium sorption was dominated by a monolayer way. The kinetic data can be well depicted by the pseudo-second-order kinetic model. The activation energy derived from Arrhenius equation was 30.0 kJ/mol and the sorption process had a chemical nature. Thermodynamic constants such as ΔH 0 , ΔS 0 and ΔG 0 were also evaluated, results of thermodynamic study showed that the sorption process was endothermic and spontaneous. -- Highlights: • Equilibrium, kinetics and thermodynamics of uranium sorption by CaAlg were studied. • Equilibrium studies show that Langmuir isotherm better fit with experimental data. • Pseudo-second-order kinetics model is found to be well depicting the kinetic data. • Thermodynamic study shows that the sorption process is endothermic and spontaneous

  10. Calculation of thermodynamic equilibrium for reactions of plutonium with air

    International Nuclear Information System (INIS)

    Zou Lexi; Sun Ying; Luo Deli; Xue Weidong; Zhu Zhenghe; Wang Rong

    2000-01-01

    There are six independent component with 4 chemical elements, i.e. PuH 2.7 (s), PuN(s), Pu 2 O 3 (s), N 2 (g) and H 2 (g), therefore, the system described involves of 2 independent reactions, both ΔG degree << O. The mass balances calculated for gas and solid phases are in good agreement with those of experimental, indicating the chemical equilibrium is nearly approached. So, it is believed that the reaction ratio of plutonium hydride with air is extremely rapid. The results are meaningful to the storage of plutonium

  11. Relation between absorbed dose, charged particle equilibrium and nuclear transformations: A non-equilibrium thermodynamics point of view

    International Nuclear Information System (INIS)

    Alvarez-Romero, J. T.

    2006-01-01

    We present a discussion to show that the absorbed dose D is a time-dependent function. This time dependence is demonstrated based on the concepts of charged particle equilibrium and on radiation equilibrium within the context of thermodynamic non-equilibrium. In the latter, the time dependence is due to changes of the rest mass energy of the nuclei and elementary particles involved in the terms ΣQ and Q that appear in the definitions of energy imparted ε and energy deposit ε i , respectively. In fact, nothing is said about the averaging operation of the non-stochastic quantity mean energy imparted ε-bar, which is used in the definition of D according to ICRU 60. It is shown in this research that the averaging operation necessary to define the ε-bar employed to get D cannot be performed with an equilibrium statistical operator ρ(r) as could be expected. Rather, the operation has to be defined with a time-dependent non-equilibrium statistical operator (r, t) therefore, D is a time-dependent function D(r, t). (authors)

  12. The energy balance of a plasma in partial local thermodynamic equilibrium

    NARCIS (Netherlands)

    Kroesen, G.M.W.; Schram, D.C.; Timmermans, C.J.; de Haas, J.C.M.

    1990-01-01

    The energy balance for electrons and heavy particles constituting a plasma in partial local thermodynamic equilibrium is derived. The formulation of the energy balance used allows for evaluation of the source terms without knowledge of the particle and radiation transport situation, since most of

  13. The Matrix model, a driven state variables approach to non-equilibrium thermodynamics

    NARCIS (Netherlands)

    Jongschaap, R.J.J.

    2001-01-01

    One of the new approaches in non-equilibrium thermodynamics is the so-called matrix model of Jongschaap. In this paper some features of this model are discussed. We indicate the differences with the more common approach based upon internal variables and the more sophisticated Hamiltonian and GENERIC

  14. An Easy and Effective Demonstration of Enzyme Stereospecificity and Equilibrium Thermodynamics

    Science.gov (United States)

    Herdman, Chelsea; Dickman, Michael

    2011-01-01

    Enzyme stereospecificity and equilibrium thermodynamics can be demonstrated using the coupling of two amino acid derivatives by Thermoase C160. This protease will catalyze peptide bond formation between Z-L-AspOH and L-PheOMe to form the Aspartame precursor Z-L-Asp-L-PheOMe. Reaction completion manifests itself by precipitation of the product. As…

  15. Modelling non-equilibrium thermodynamic systems from the speed-gradient principle.

    Science.gov (United States)

    Khantuleva, Tatiana A; Shalymov, Dmitry S

    2017-03-06

    The application of the speed-gradient (SG) principle to the non-equilibrium distribution systems far away from thermodynamic equilibrium is investigated. The options for applying the SG principle to describe the non-equilibrium transport processes in real-world environments are discussed. Investigation of a non-equilibrium system's evolution at different scale levels via the SG principle allows for a fresh look at the thermodynamics problems associated with the behaviour of the system entropy. Generalized dynamic equations for finite and infinite number of constraints are proposed. It is shown that the stationary solution to the equations, resulting from the SG principle, entirely coincides with the locally equilibrium distribution function obtained by Zubarev. A new approach to describe time evolution of systems far from equilibrium is proposed based on application of the SG principle at the intermediate scale level of the system's internal structure. The problem of the high-rate shear flow of viscous fluid near the rigid plane plate is discussed. It is shown that the SG principle allows closed mathematical models of non-equilibrium processes to be constructed.This article is part of the themed issue 'Horizons of cybernetical physics'. © 2017 The Author(s).

  16. Thermodynamics of the multicomponent vapor-liquid equilibrium under capillary pressure difference

    DEFF Research Database (Denmark)

    Shapiro, Alexander; Stenby, Erling Halfdan

    2001-01-01

    We discuss the two-phase multicomponent equilibrium, provided that the phase pressures are different due to the action of capillary forces. We prove the two general properties of such an equilibrium, which have previously been known for a single-component case, however, to the best of our knowledge......, not for the multicomponent mixtures. The importance is emphasized on the space of the intensive variables P, T and mu (i), where the laws of capillary equilibrium have a simple geometrical interpretation. We formulate thermodynamic problems specific to such an equilibrium, and outline changes to be introduced to common...... algorithms of flash calculations in order to solve these problems. Sample calculations show large variation of the capillary properties of the mixture in the very neighborhood of the phase envelope and the restrictive role of the spinodal surface as a boundary for possible equilibrium states with different...

  17. Equilibrium thermodynamics and neutrino decoupling in quasi-metric cosmology

    Science.gov (United States)

    Østvang, Dag

    2018-05-01

    The laws of thermodynamics in the expanding universe are formulated within the quasi-metric framework. The quasi-metric cosmic expansion does not directly influence momenta of material particles, so the expansion directly cools null particles only (e.g., photons). Therefore, said laws differ substantially from their counterparts in standard cosmology. Consequently, all non-null neutrino mass eigenstates are predicted to have the same energy today as they had just after neutrino decoupling in the early universe. This indicates that the predicted relic neutrino background is strongly inconsistent with detection rates measured in solar neutrino detectors (Borexino in particular). Thus quasi-metric cosmology is in violent conflict with experiment unless some exotic property of neutrinos makes the relic neutrino background essentially undetectable (e.g., if all massive mass eigenstates decay into "invisible" particles over cosmic time scales). But in absence of hard evidence in favour of the necessary exotic neutrino physics needed to resolve said conflict, the current status of quasi-metric relativity has been changed to non-viable.

  18. Equilibrium sampling to determine the thermodynamic potential for bioaccumulation of persistent organic pollutants from sediment.

    Science.gov (United States)

    Jahnke, Annika; MacLeod, Matthew; Wickström, Håkan; Mayer, Philipp

    2014-10-07

    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 pollutants (polychlorinated biphenyls (PCBs) and hexachlorobenzene (HCB)) to lipid-normalized concentrations for a range of biota from a Swedish background lake. PCBs in duck mussels, roach, eel, pikeperch, perch and pike were mostly below the equilibrium partitioning level relative to the sediment, i.e., lipid-normalized concentrations were ≤CLip⇌Sed, whereas HCB was near equilibrium between biota and sediment. Equilibrium sampling allows straightforward, sensitive and precise measurement of CLip⇌Sed. We propose CLip⇌Sed as a metric of the thermodynamic potential for bioaccumulation of persistent organic chemicals from sediment useful to prioritize management actions to remediate contaminated sites.

  19. Potential and flux field landscape theory. II. Non-equilibrium thermodynamics of spatially inhomogeneous stochastic dynamical systems

    International Nuclear Information System (INIS)

    Wu, Wei; Wang, Jin

    2014-01-01

    We have established a general non-equilibrium thermodynamic formalism consistently applicable to both spatially homogeneous and, more importantly, spatially inhomogeneous systems, governed by the Langevin and Fokker-Planck stochastic dynamics with multiple state transition mechanisms, using the potential-flux landscape framework as a bridge connecting stochastic dynamics with non-equilibrium thermodynamics. A set of non-equilibrium thermodynamic equations, quantifying the relations of the non-equilibrium entropy, entropy flow, entropy production, and other thermodynamic quantities, together with their specific expressions, is constructed from a set of dynamical decomposition equations associated with the potential-flux landscape framework. The flux velocity plays a pivotal role on both the dynamic and thermodynamic levels. On the dynamic level, it represents a dynamic force breaking detailed balance, entailing the dynamical decomposition equations. On the thermodynamic level, it represents a thermodynamic force generating entropy production, manifested in the non-equilibrium thermodynamic equations. The Ornstein-Uhlenbeck process and more specific examples, the spatial stochastic neuronal model, in particular, are studied to test and illustrate the general theory. This theoretical framework is particularly suitable to study the non-equilibrium (thermo)dynamics of spatially inhomogeneous systems abundant in nature. This paper is the second of a series

  20. Entropy production in a fluid-solid system far from thermodynamic equilibrium.

    Science.gov (United States)

    Chung, Bong Jae; Ortega, Blas; Vaidya, Ashwin

    2017-11-24

    The terminal orientation of a rigid body in a moving fluid is an example of a dissipative system, out of thermodynamic equilibrium and therefore a perfect testing ground for the validity of the maximum entropy production principle (MaxEP). Thus far, dynamical equations alone have been employed in studying the equilibrium states in fluid-solid interactions, but these are far too complex and become analytically intractable when inertial effects come into play. At that stage, our only recourse is to rely on numerical techniques which can be computationally expensive. In our past work, we have shown that the MaxEP is a reliable tool to help predict orientational equilibrium states of highly symmetric bodies such as cylinders, spheroids and toroidal bodies. The MaxEP correctly helps choose the stable equilibrium in these cases when the system is slightly out of thermodynamic equilibrium. In the current paper, we expand our analysis to examine i) bodies with fewer symmetries than previously reported, for instance, a half-ellipse and ii) when the system is far from thermodynamic equilibrium. Using two-dimensional numerical studies at Reynolds numbers ranging between 0 and 14, we examine the validity of the MaxEP. Our analysis of flow past a half-ellipse shows that overall the MaxEP is a good predictor of the equilibrium states but, in the special case of the half-ellipse with aspect ratio much greater than unity, the MaxEP is replaced by the Min-MaxEP, at higher Reynolds numbers when inertial effects come into play. Experiments in sedimentation tanks and with hinged bodies in a flow tank confirm these calculations.

  1. Specific heat, polarization and heat conduction in microwave heating systems: A nonequilibrium thermodynamic point of view

    International Nuclear Information System (INIS)

    Bergese, Paolo

    2006-01-01

    A microwave (MW) field can induce in a dielectric material an oscillatory polarization. By this mechanism part of the energy carried by the waves is converted into chaotic agitation, and the material heats up. MW heating is a nonequilibrium phenomenon, while conventional heating can generally be considered as quasi-static. Excess (or nonthermal) effects of MWs with respect to conventional heating lie in this difference. Macroscopically, MW heating can be described in the framework of linear nonequilibrium thermodynamics (NET). This approach indicates that in a dielectric material under MW heating the specific heat has a dynamic component linked to the variation of polarization with temperature, and that polarization and heat conduction are intertwined. In particular, linear NET provides a new phenomenological equation for heat conduction that is composed of the classic Fourier's law and an additional term due to polarization relaxation. This term quantitatively describes the excess effect of MWs on thermal conduction

  2. The Donnan equilibrium: I. On the thermodynamic foundation of the Donnan equation of state

    International Nuclear Information System (INIS)

    Philipse, A; Vrij, A

    2011-01-01

    The thermodynamic equilibrium between charged colloids and an electrolyte reservoir is named after Frederic Donnan who first published on it one century ago (Donnan 1911 Z. Electrochem. 17 572). One of the intriguing features of the Donnan equilibrium is the ensuing osmotic equation of state which is a nonlinear one, even when both colloids and ions obey Van 't Hoff's ideal osmotic pressure law. The Donnan equation of state, nevertheless, is internally consistent; we demonstrate it to be a rigorous consequence of the phenomenological thermodynamics of a neutral bulk suspension equilibrating with an infinite salt reservoir. Our proof is based on an exact thermodynamic relation between osmotic pressure and salt adsorption which, when applied to ideal ions, does indeed entail the Donnan equation of state. Our derivation also shows that, contrary to what is often assumed, the Donnan equilibrium does not require ideality of the colloids: the Donnan model merely evaluates the osmotic pressure of homogeneously distributed ions, in excess of the pressure exerted by an arbitrary reference fluid of uncharged colloids. We also conclude that results from the phenomenological Donnan model coincide with predictions from statistical thermodynamics in the limit of weakly charged, point-like colloids.

  3. Thermodynamic parameters for adsorption equilibrium of heavy metals and dyes from wastewaters.

    Science.gov (United States)

    Liu, Xiang; Lee, Duu-Jong

    2014-05-01

    This meta-analysis evaluates adsorption studies that report thermodynamic parameters for heavy metals and dyes from wastewaters. The adsorbents were derived from agricultural waste, industrial wastes, inorganic particulates, or some natural products. The adsorption mechanisms, derivation of thermodynamic relationships, and possible flaws made in such evaluation are discussed. This analysis shows that conclusions from the examined standard enthalpy and entropy changes are highly contestable. The reason for this flaw may be the poor physical structure of adsorbents tested, such that pore transport controlled the solute flux, leaving a surface reaction process near equilibrium. Copyright © 2013 Elsevier Ltd. All rights reserved.

  4. Non-Equilibrium Thermodynamic Chemistry and the Composition of the Atmosphere of Mars

    Science.gov (United States)

    Levine, J. S.; Summers, M. E.

    2003-01-01

    A high priority objective of the Mars Exploration Program is to Determine if life exists today (MEPAG Goal I, Objective A). The measurement of gases of biogenic origin may be an approach to detect the presence of microbial life on the surface or subsurface of Mars. Chemical thermodynamic calculations indicate that on both Earth and Mars, certain gases should exist in extremely low concentrations, if at all. Microbial metabolic activity is an important non-equilibrium chemistry process on Earth, and if microbial life exists on Mars, may be an important nonequilibrium chemistry process on Mars. The non-equilibrium chemistry of the atmosphere of Mars is discussed in this paper.

  5. 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...... 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...... organic chemicals from sediment useful to prioritize management actions to remediate contaminated sites....

  6. A development of multi-Species mass transport model considering thermodynamic phase equilibrium

    DEFF Research Database (Denmark)

    Hosokawa, Yoshifumi; Yamada, Kazuo; Johannesson, Björn

    2008-01-01

    ) variation in solid-phase composition when using different types of cement, (ii) physicochemical evaluation of steel corrosion initiation behaviour by calculating the molar ratio of chloride ion to hydroxide ion [Cl]/[OH] in pore solution, (iii) complicated changes of solid-phase composition caused......In this paper, a multi-species mass transport model, which can predict time dependent variation of pore solution and solid-phase composition due to the mass transport into the hardened cement paste, has been developed. Since most of the multi-species models established previously, based...... on the Poisson-Nernst-Planck theory, did not involve the modeling of chemical process, it has been coupled to thermodynamic equilibrium model in this study. By the coupling of thermodynamic equilibrium model, the multi-species model could simulate many different behaviours in hardened cement paste such as: (i...

  7. Disposal of high level nuclear wastes: Thermodynamic equilibrium and environment ethics

    Institute of Scientific and Technical Information of China (English)

    RANA Mukhtar Ahmed

    2009-01-01

    Contamination of soil, water or air, due to a failure of containment or disposal of high level nuclear wastes, can potentially cause serious hazards to the environment or human health. Essential elements of the environment and radioactivity dangers to it are illustrated. Issues of high level nuclear waste disposal are discussed with a focus on thermodynamic equilibrium and environment ethics. Major aspects of the issues are analyzed and described briefly to build a perception of risks involved and ethical implications. Nuclear waste containment repository should be as close as possible to thermodynamic equilibrium. A clear demonstration about safety aspects of nuclear waste management is required in gaining public and political confidence in any possible scheme of permanent disposal. Disposal of high level nuclear waste offers a spectrum of environment connected challenges and a long term future of nuclear power depends on the environment friendly solution of the problem of nuclear wastes.

  8. Disposal of high level nuclear wastes: thermodynamic equilibrium and environment ethics

    International Nuclear Information System (INIS)

    Rana, M.A.

    2009-01-01

    Contamination of soil, water or air, due to a failure of containment or disposal of high level nuclear wastes, can potentially cause serious hazards to the environment or human health. Essential elements of the environment and radioactivity dangers to it are illustrated. Issues of high level nuclear waste disposal are discussed with a focus on thermodynamic equilibrium and environment ethics. Major aspects of the issues are analyzed and described briefly to build a perception of risks involved and ethical implications. Nuclear waste containment repository should be as close as possible to thermodynamic equilibrium. A clear demonstration about safety aspects of nuclear waste management is required in gaining public and political confidence in any possible scheme of permanent disposal. Disposal of high level nuclear waste offers a spectrum of environment connected challenges and a long term future of nuclear power depends on the environment friendly solution of the problem of nuclear wastes. (authors)

  9. Thermodynamic parameters for mixtures of quartz under shock wave loading in views of the equilibrium model

    International Nuclear Information System (INIS)

    Maevskii, K. K.; Kinelovskii, S. A.

    2015-01-01

    The numerical results of modeling of shock wave loading of mixtures with the SiO 2 component are presented. The TEC (thermodynamic equilibrium component) model is employed to describe the behavior of solid and porous multicomponent mixtures and alloys under shock wave loading. State equations of a Mie–Grüneisen type are used to describe the behavior of condensed phases, taking into account the temperature dependence of the Grüneisen coefficient, gas in pores is one of the components of the environment. The model is based on the assumption that all components of the mixture under shock-wave loading are in thermodynamic equilibrium. The calculation results are compared with the experimental data derived by various authors. The behavior of the mixture containing components with a phase transition under high dynamic loads is described

  10. Effect of configuration widths on the spectra of local thermodynamic equilibrium plasmas

    International Nuclear Information System (INIS)

    Bar-Shalom, A.; Oreg, J.; Goldstein, W.H.

    1995-01-01

    We present the extension of the supertransition-array (STA) theory to include configuration widths in the spectra of local thermodynamic equilibrium (LTE) plasmas. Exact analytic expressions for the moments of a STA are given, accounting for the detailed contributions of individual levels within the configurations that belong to a STA. The STA average energy is shifted and an additional term appears in its variance. Various cases are presented, demonstrating the effect of these corrections on the LTE spectrum

  11. Allowance for effects of thermodynamic nonideality in sedimentation equilibrium distributions reflecting protein dimerization.

    Science.gov (United States)

    Wills, Peter R; Scott, David J; Winzor, Donald J

    2012-03-01

    This reexamination of a high-speed sedimentation equilibrium distribution for α-chymotrypsin under slightly acidic conditions (pH 4.1, I(M) 0.05) has provided experimental support for the adequacy of nearest-neighbor considerations in the allowance for effects of thermodynamic nonideality in the characterization of protein self-association over a moderate concentration range (up to 8 mg/mL). A widely held but previously untested notion about allowance for thermodynamic nonideality effects is thereby verified experimentally. However, it has also been shown that a greater obstacle to better characterization of protein self-association is likely to be the lack of a reliable estimate of monomer net charge, a parameter that has a far more profound effect on the magnitude of the measured equilibrium constant than any deficiency in current procedures for incorporating the effects of thermodynamic nonideality into the analysis of sedimentation equilibrium distributions reflecting reversible protein self-association. Copyright © 2011 Elsevier Inc. All rights reserved.

  12. Monte Carlo simulations for thermodynamical properties calculations of plasmas at thermodynamical equilibrium. Applications to opacity and equation of state calculations

    International Nuclear Information System (INIS)

    Gilles, D.

    2005-01-01

    This report is devoted to illustrate the power of a Monte Carlo (MC) simulation code to study the thermodynamical properties of a plasma, composed of classical point particles at thermodynamical equilibrium. Such simulations can help us to manage successfully the challenge of taking into account 'exactly' all classical correlations between particles due to density effects, unlike analytical or semi-analytical approaches, often restricted to low dense plasmas. MC simulations results allow to cover, for laser or astrophysical applications, a wide range of thermodynamical conditions from more dense (and correlated) to less dense ones (where potentials are long ranged type). Therefore Yukawa potentials, with a Thomas-Fermi temperature- and density-dependent screening length, are used to describe the effective ion-ion potentials. In this report we present two MC codes ('PDE' and 'PUCE') and applications performed with these codes in different fields (spectroscopy, opacity, equation of state). Some examples of them are discussed and illustrated at the end of the report. (author)

  13. Modeling the Non-Equilibrium Process of the Chemical Adsorption of Ammonia on GaN(0001) Reconstructed Surfaces Based on Steepest-Entropy-Ascent Quantum Thermodynamics.

    Science.gov (United States)

    Kusaba, Akira; Li, Guanchen; von Spakovsky, Michael R; Kangawa, Yoshihiro; Kakimoto, Koichi

    2017-08-15

    Clearly understanding elementary growth processes that depend on surface reconstruction is essential to controlling vapor-phase epitaxy more precisely. In this study, ammonia chemical adsorption on GaN(0001) reconstructed surfaces under metalorganic vapor phase epitaxy (MOVPE) conditions (3Ga-H and N ad -H + Ga-H on a 2 × 2 unit cell) is investigated using steepest-entropy-ascent quantum thermodynamics (SEAQT). SEAQT is a thermodynamic-ensemble based, first-principles framework that can predict the behavior of non-equilibrium processes, even those far from equilibrium where the state evolution is a combination of reversible and irreversible dynamics. SEAQT is an ideal choice to handle this problem on a first-principles basis since the chemical adsorption process starts from a highly non-equilibrium state. A result of the analysis shows that the probability of adsorption on 3Ga-H is significantly higher than that on N ad -H + Ga-H. Additionally, the growth temperature dependence of these adsorption probabilities and the temperature increase due to the heat of reaction is determined. The non-equilibrium thermodynamic modeling applied can lead to better control of the MOVPE process through the selection of preferable reconstructed surfaces. The modeling also demonstrates the efficacy of DFT-SEAQT coupling for determining detailed non-equilibrium process characteristics with a much smaller computational burden than would be entailed with mechanics-based, microscopic-mesoscopic approaches.

  14. Thermodynamical Approach for The Determination of The Speed of Heat Propagation in Heat Conduction

    International Nuclear Information System (INIS)

    Shnaid, I.

    1998-01-01

    In this work, a thermodynamical approach for the determination of the speed of heat propagation in a heat conductive body is developed. It employs equations of the First and the Second Laws of thermodynamics. The present analyses show that no time delay exists between time moments of heat extraction and heat supply. Therefore, an infinite speed of heat propagation is proven. It is also predicted that there is no time lag between heat flow and temperature difference. A theoretical approach straightforwardly leading from basic equations of the First and the Second Laws of thermodynamics to a kinetic equation describing heat conduction in an isotropic continuum is also developed. It is shown that Fourier's equation is a particular case of the derived kinetic equation. Based on the kinetic equation, the governing heat conduction equation is of tile parabolic type, thus, confirming that speed of heat propagation is infinite

  15. Considerations about the correct evaluation of sorption thermodynamic parameters from equilibrium isotherms

    International Nuclear Information System (INIS)

    Salvestrini, Stefano; Leone, Vincenzo; Iovino, Pasquale; Canzano, Silvana; Capasso, Sante

    2014-01-01

    Highlights: • Different methods to derive sorption thermodynamic parameters have been discussed. • ΔG° and, ΔS° values depend on the selected standard states. • Isosteric heat values help in evaluating the applicability of the sorption models. -- Abstract: This is a comparative analysis of popular methods currently in use to derive sorption thermodynamic parameters from temperature dependence of sorption isotherms. It is emphasized that the standard and isosteric thermodynamic parameters have sharply different meanings. Moreover, it is shown with examples how the sorption model adopted conditions the standard state and consequently the value of ΔG° and ΔS°. These trivial but often neglected aspects should carefully be considered when comparing thermodynamic parameters from different literature sources. An effort by the scientific community is needed to define criteria for the choice of the standard state in sorption processes

  16. 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

  17. Comparison of analytical charge-form and equilibrium thermodynamic speciation of certain radionuclides

    International Nuclear Information System (INIS)

    Jenne, E.A.; Cowan, C.E.; Robertson, D.E.

    1984-01-01

    Calculating trace element speciation with a thermodynamic model is often challenged on the basis that the existing thermodynamic data are not sufficiently reliable. Water quality data and corresponding analytical charge-form speciation analysis were available for radionuclides occurring in a low-level radioactive groundwater. This offered an opportunity for comparing the results of an equilibrium thermodynamic model with the results of analytical charge-form speciation. The charge-form speciation was determined using the Battelle Large Volume Water Sampler, which contains consecutive layers of cation resin, anion resin and activated aluminum oxide for retention of cationic, anionic and non-ionic dissolved chemical species, respectively. The thermodynamic speciation of Cs, Cr, Fe, I, Mn, Mo, Na, and Zn was calculated using the MINTEQ geochemical model. Ce, Co, Tc, Np, Pm, and Sb were speciated by hand calculation. Excellent agreement between the analytically determined charge-form and the thermodynamic speciation was observed for 54 Mn, 144 Ce, 131 I, 24 Na, 137 Cs, 99 Mo, 99 Tc, 151 Pm, 239 Np. Organic complexation by natural and/or synthetic organics in the waters may be important in the speciation of 65 An, 60 Co, 131 I, 59 Fe and possibly 51 Cr. Both 124 Sb and 125 Sb appeared to be in redox disequilibria with the groundwater. 29 references, 2 tables

  18. Thermodynamic analysis of a new Marnoch Heat Engine

    International Nuclear Information System (INIS)

    Saneipoor, P.; Dincer, I.; Naterer, G.F.

    2013-01-01

    In this paper, recovery of waste heat from an industrial facility with a new Marnoch Heat Engine (MHE) is examined. The MHE can be operated with temperature differentials below 100 K. A flowing liquid transfers heat from the heat source into heat exchangers and then removes heat from cold heat exchangers. Compressed dry air is used as a working medium in the heat engine. In this paper, the mechanical configuration of the heat engine is presented and analyzed. A thermodynamic model is developed to study the performance of the heat engine under various operating conditions. The results show that the exergy efficiency of the MHE reaches up to 17%. The major sources of exergy loss are presented and discussed, in order to optimize the system performance. -- Highlights: ► To develop a thermodynamic model to study the performance of a Marnoch Heat Engine (MHE). ► To investigate the effects of changing operational conditions on the MHE's efficiency. ► To assess the application of the MHE's commercial viability

  19. Thermodynamic Simulation of Equilibrium Composition of Reaction Products at Dehydration of a Technological Channel in a Uranium-Graphite Reactor

    Science.gov (United States)

    Pavliuk, A. O.; Zagumennov, V. S.; Kotlyarevskiy, S. G.; Bespala, E. V.

    2018-01-01

    The problems of accumulation of nuclear fuel spills in the graphite stack in the course of operation of uranium-graphite nuclear reactors are considered. The results of thermodynamic analysis of the processes in the graphite stack at dehydration of a technological channel, fuel element shell unsealing and migration of fission products, and activation of stable nuclides in structural elements of the reactor and actinides inside the graphite moderator are given. The main chemical reactions and compounds that are produced in these modes in the reactor channel during its operation and that may be hazardous after its shutdown and decommissioning are presented. Thermodynamic simulation of the equilibrium composition is performed using the specialized code TERRA. The results of thermodynamic simulation of the equilibrium composition in different cases of technological channel dehydration in the course of the reactor operation show that, if the temperature inside the active core of the nuclear reactor increases to the melting temperature of the fuel element, oxides and carbides of nuclear fuel are produced. The mathematical model of the nonstationary heat transfer in a graphite stack of a uranium-graphite reactor in the case of the technological channel dehydration is presented. The results of calculated temperature evolution at the center of the fuel element, the replaceable graphite element, the air gap, and in the surface layer of the block graphite are given. The numerical results show that, in the case of dehydration of the technological channel in the uranium-graphite reactor with metallic uranium, the main reaction product is uranium dioxide UO2 in the condensed phase. Low probability of production of pyrophoric uranium compounds (UH3) in the graphite stack is proven, which allows one to disassemble the graphite stack without the risk of spontaneous graphite ignition in the course of decommissioning of the uranium-graphite nuclear reactor.

  20. General thermodynamic performance of irreversible absorption heat pump

    International Nuclear Information System (INIS)

    Zhao Xiling; Fu Lin; Zhang Shigang

    2011-01-01

    The absorption heat pump (AHP) was studied with thermodynamics. A four reservoirs model of absorption heat pump was established considering the heat resistance, heat leak and the internal irreversibility. The reasonable working regions, the performance effects of irreversibility, heat leak and the correlation of four components were studied. When studying the effects of internal irreversibility, two internal irreversibility parameters (I he for generator-absorber assembly and I re for evaporator-condenser assembly) were introduced to distinguish the different effects. When studying the heat transfer relations of four components, a universal relationship between the main parameters were deduced. The results which have more realized meaning show that, the reduction of the friction, heat loss, and internal dissipations of the evaporator-condenser assembly are more important than its reduction of generator-absorber assembly, and lessening the heat leak of generator are more important than its reduction of other components to improve the AHP performance.

  1. A thermodynamic data base for Tc to calculate equilibrium solubilities at temperatures up to 300 deg C

    International Nuclear Information System (INIS)

    Puigdomenech, I.; Bruno, J.

    1995-04-01

    Thermodynamic data has been selected for solids and aqueous species of technetium. Equilibrium constants have been calculated in the temperature range 0 to 300 deg C at a pressure of 1 bar for T r Cdeg pm values for mononuclear hydrolysis reactions. The formation constants for chloro complexes of Tc(V) and Tc(IV), whose existence is well established, have been estimated. The majority of entropy and heat capacity values in the data base have also been estimated, and therefore temperature extrapolations are largely based on estimations. The uncertainties derived from these calculations are described. Using the data base developed in this work, technetium solubilities have been calculated as a function of temperature for different chemical conditions. The implications for the mobility of Tc under nuclear repository conditions are discussed. 70 refs

  2. Stability of the thermodynamic equilibrium - A test of the validity of dynamic models as applied to gyroviscous perpendicular magnetohydrodynamics

    Science.gov (United States)

    Faghihi, Mustafa; Scheffel, Jan; Spies, Guenther O.

    1988-05-01

    Stability of the thermodynamic equilibrium is put forward as a simple test of the validity of dynamic equations, and is applied to perpendicular gyroviscous magnetohydrodynamics (i.e., perpendicular magnetohydrodynamics with gyroviscosity added). This model turns out to be invalid because it predicts exponentially growing Alfven waves in a spatially homogeneous static equilibrium with scalar pressure.

  3. Stability of the thermodynamic equilibrium: A test of the validity of dynamic models as applied to gyroviscous perpendicular magnetohydrodynamics

    International Nuclear Information System (INIS)

    Faghihi, M.; Scheffel, J.; Spies, G.O.

    1988-01-01

    Stability of the thermodynamic equilibrium is put forward as a simple test of the validity of dynamic equations, and is applied to perpendicular gyroviscous magnetohydrodynamics (i.e., perpendicular magnetohydrodynamics with gyroviscosity added). This model turns out to be invalid because it predicts exponentially growing Alfven waves in a spatially homogeneous static equilibrium with scalar pressure

  4. Thermodynamics and proton activities of protic ionic liquids with quantum cluster equilibrium theory

    Science.gov (United States)

    Ingenmey, Johannes; von Domaros, Michael; Perlt, Eva; Verevkin, Sergey P.; Kirchner, Barbara

    2018-05-01

    We applied the binary Quantum Cluster Equilibrium (bQCE) method to a number of alkylammonium-based protic ionic liquids in order to predict boiling points, vaporization enthalpies, and proton activities. The theory combines statistical thermodynamics of van-der-Waals-type clusters with ab initio quantum chemistry and yields the partition functions (and associated thermodynamic potentials) of binary mixtures over a wide range of thermodynamic phase points. Unlike conventional cluster approaches that are limited to the prediction of thermodynamic properties, dissociation reactions can be effortlessly included into the bQCE formalism, giving access to ionicities, as well. The method is open to quantum chemical methods at any level of theory, but combination with low-cost composite density functional theory methods and the proposed systematic approach to generate cluster sets provides a computationally inexpensive and mostly parameter-free way to predict such properties at good-to-excellent accuracy. Boiling points can be predicted within an accuracy of 50 K, reaching excellent accuracy for ethylammonium nitrate. Vaporization enthalpies are predicted within an accuracy of 20 kJ mol-1 and can be systematically interpreted on a molecular level. We present the first theoretical approach to predict proton activities in protic ionic liquids, with results fitting well into the experimentally observed correlation. Furthermore, enthalpies of vaporization were measured experimentally for some alkylammonium nitrates and an excellent linear correlation with vaporization enthalpies of their respective parent amines is observed.

  5. Quantum corrections to the stress-energy tensor in thermodynamic equilibrium with acceleration

    Science.gov (United States)

    Becattini, F.; Grossi, E.

    2015-08-01

    We show that the stress-energy tensor has additional terms with respect to the ideal form in states of global thermodynamic equilibrium in flat spacetime with nonvanishing acceleration and vorticity. These corrections are of quantum origin and their leading terms are second order in the gradients of the thermodynamic fields. Their relevant coefficients can be expressed in terms of correlators of the stress-energy tensor operator and the generators of the Lorentz group. With respect to previous assessments, we find that there are more second-order coefficients and that all thermodynamic functions including energy density receive acceleration and vorticity dependent corrections. Notably, also the relation between ρ and p , that is, the equation of state, is affected by acceleration and vorticity. We have calculated the corrections for a free real scalar field—both massive and massless—and we have found that they increase, particularly for a massive field, at very high acceleration and vorticity and very low temperature. Finally, these nonideal terms depend on the explicit form of the stress-energy operator, implying that different stress-energy tensors of the scalar field—canonical or improved—are thermodynamically inequivalent.

  6. Deviation from local thermodynamic equilibrium in a cesium-seeded argon plasma

    International Nuclear Information System (INIS)

    Stefanov, B.; Zarkova, L.

    1985-11-01

    The possibility of deviations from local thermodynamic equilibrium of a cesium seeded argon plasma has been analyzed. A four level model of cesium has been employed. Overpopulations of the ground state and the first excited state as well as the corresponding reduction of the electron density are calculated for cylindrical discharge structures by solving stationary rate equations. Numerical results are presented. These results indicate that in a large regime of plasma conditions the LTE assumption is valid for electron temperatures larger than 3000 K. (orig.)

  7. Equilibrium, kinetics and thermodynamics studies of textile dyes adsorption on modified Tunisian clay

    Directory of Open Access Journals (Sweden)

    naghmouchi nahed

    2016-04-01

    Full Text Available The adsorption capacity of two anionic textile dyes (RR120 and BB150 on DMSO intercalated Tunisian raw clay was investigated with respect to contact time, initial dye concentration, pH and Temperature. The equilibrium data were fitted into Langmuir, Freundlich, Temkin and Dubinin–Radushkevich isotherms. The kinetic parameters were calculated using pseudo-first order, pseudo second-order, intra-particle diffusion and Elovich kinetic models. The thermodynamic parameters (DH°, DS° and DG° of the adsorption process were also evaluated.

  8. A conservative multicomponent diffusion algorithm for ambipolar plasma flows in local thermodynamic equilibrium

    International Nuclear Information System (INIS)

    Peerenboom, Kim; Van Boxtel, Jochem; Janssen, Jesper; Van Dijk, Jan

    2014-01-01

    The usage of the local thermodynamic equilibrium (LTE) approximation can be a very powerful assumption for simulations of plasmas in or close to equilibrium. In general, the elemental composition in LTE is not constant in space and effects of mixing and demixing have to be taken into account using the Stefan–Maxwell diffusion description. In this paper, we will introduce a method to discretize the resulting coupled set of elemental continuity equations. The coupling between the equations is taken into account by the introduction of the concept of a Péclet matrix. It will be shown analytically and numerically that the mass and charge conservation constraints can be fulfilled exactly. Furthermore, a case study is presented to demonstrate the applicability of the method to a simulation of a mercury-free metal-halide lamp. The source code for the simulations presented in this paper is provided as supplementary material (stacks.iop.org/JPhysD/47/425202/mmedia). (paper)

  9. Non-equilibrium thermodynamics of highly rarefied neutron gas under creative and destructive reactions

    International Nuclear Information System (INIS)

    Hayasaka, Hideo

    1978-01-01

    The thermodynamic structures of non-equilibrium steady states of a highly rarefied neutron gas in various media are considered in terms of the irreversible processes due to creative and destructive reactions of neutrons with nuclei of these media and to neutrons supplied from external sources. The respective subsystems of the stationary neutron gas are regarded as imperfect equilibrium systems in the presence of the medium and the external neutron sources, and are treated like different species in a mixture. The entropy production due to neutron-nuclear reactions has a minimum value at the steady state. The distribution function of such a neutron gas is determined from the extremum condition in which entropy does not change, and is expressed as a shifted Boltzmann distribution specified by the respective values of the generalized chemical potential for each energy level. (author)

  10. Formation of super disperse phase and its influence on equilibrium and thermodynamics of thermal dehydration

    Energy Technology Data Exchange (ETDEWEB)

    Polyachenok, O.G. [Department of Chemistry, Mogilev State University of Foodstuffs, 212027 (Belarus)], E-mail: polyachenok@mogilev.by; Dudkina, E.N.; Branovitskaya, N.V. [Department of Chemistry, Mogilev State University of Foodstuffs, 212027 (Belarus); Polyachenok, L.D. [Department of Chemistry, Mogilev State University of A.A. Kuleshov, 212022 (Belarus)

    2008-01-30

    New data on the dehydration and rehydration processes of calcium, manganese and copper dichlorides are presented that reveal surprising, in a certain sense, behaviour difficult to be explained for the last two chlorides in terms of the usual conception of thermodynamic equilibrium. A substantial role of a super disperse phase at studying the equilibrium of the thermal decomposition of a hydrate is postulated to explain the experimental results for manganese and copper dichlorides. It is shown that the formation of such a phase of the hydrate is able to change appreciably the experimental results, causing the increase of water vapour pressure and the decrease of the derived enthalpy of a reaction. The results obtained allow to understand the reasons for considerable differences of some literature data. They enable to receive more precise and reliable data for thermal dehydration and probably for some other decomposition processes.

  11. Classical relativistic ideal gas in thermodynamic equilibrium in a uniformly accelerated reference frame

    International Nuclear Information System (INIS)

    Louis-Martinez, Domingo J

    2011-01-01

    A classical (non-quantum-mechanical) relativistic ideal gas in thermodynamic equilibrium in a uniformly accelerated frame of reference is studied using Gibbs's microcanonical and grand canonical formulations of statistical mechanics. Using these methods explicit expressions for the particle, energy and entropy density distributions are obtained, which are found to be in agreement with the well-known results of the relativistic formulation of Boltzmann's kinetic theory. Explicit expressions for the total entropy, total energy and rest mass of the gas are obtained. The position of the center of mass of the gas in equilibrium is found. The non-relativistic and ultrarelativistic approximations are also considered. The phase space volume of the system is calculated explicitly in the ultrarelativistic approximation.

  12. Thermodynamic parameters for adsorption equilibrium of heavy metals and dyes from wastewaters: Research updated.

    Science.gov (United States)

    Chang, Yingju; Lai, Juin-Yih; Lee, Duu-Jong

    2016-12-01

    The standard Gibbs free energy, enthalpy and entropy change data for adsorption equilibrium reported in biosorption literature during January 2013-May2016 were listed. Since the studied biosorption systems are all near-equilibrium processes, the enthalpy and entropy change data evaluated by fitting temperature-dependent free energy data using van Hoff's equation reveal a compensation artifact. Additional confusion is introduced with arbitrarily chosen adsorbate concentration unit in bulk solution that added free energy change of mixing into the reported free energy and enthalpy change data. Different standard states may be chosen for properly describing biosorption processes; however, this makes the general comparison between data from different systems inappropriate. No conclusion should be drawn based on unjustified thermodynamic parameters reported in biosorption studies. Copyright © 2016 Elsevier Ltd. All rights reserved.

  13. Local thermodynamic equilibrium in a laser-induced plasma evidenced by blackbody radiation

    Science.gov (United States)

    Hermann, Jörg; Grojo, David; Axente, Emanuel; Craciun, Valentin

    2018-06-01

    We show that the plasma produced by laser ablation of solid materials in specific conditions has an emission spectrum that is characterized by the saturation of the most intense spectral lines at the blackbody radiance. The blackbody temperature equals the excitation temperature of atoms and ions, proving directly and unambiguously a plasma in local thermodynamic equilibrium. The present investigations take benefit from the very rich and intense emission spectrum generated by ablation of a nickel-chromium-molybdenum alloy. This alternative and direct proof of the plasma equilibrium state re-opens the perspectives of quantitative material analyses via calibration-free laser-induced breakdown spectroscopy. Moreover, the unique properties of this laser-produced plasma promote its use as radiation standard for intensity calibration of spectroscopic instruments.

  14. Thermodynamic equilibrium solubility measurements in simulated fluids by 96-well plate method in early drug discovery.

    Science.gov (United States)

    Bharate, Sonali S; Vishwakarma, Ram A

    2015-04-01

    An early prediction of solubility in physiological media (PBS, SGF and SIF) is useful to predict qualitatively bioavailability and absorption of lead candidates. Despite of the availability of multiple solubility estimation methods, none of the reported method involves simplified fixed protocol for diverse set of compounds. Therefore, a simple and medium-throughput solubility estimation protocol is highly desirable during lead optimization stage. The present work introduces a rapid method for assessment of thermodynamic equilibrium solubility of compounds in aqueous media using 96-well microplate. The developed protocol is straightforward to set up and takes advantage of the sensitivity of UV spectroscopy. The compound, in stock solution in methanol, is introduced in microgram quantities into microplate wells followed by drying at an ambient temperature. Microplates were shaken upon addition of test media and the supernatant was analyzed by UV method. A plot of absorbance versus concentration of a sample provides saturation point, which is thermodynamic equilibrium solubility of a sample. The established protocol was validated using a large panel of commercially available drugs and with conventional miniaturized shake flask method (r(2)>0.84). Additionally, the statistically significant QSPR models were established using experimental solubility values of 52 compounds. Copyright © 2015 Elsevier Ltd. All rights reserved.

  15. Thermodynamics of micellization from heat-capacity measurements.

    Science.gov (United States)

    Šarac, Bojan; Bešter-Rogač, Marija; Lah, Jurij

    2014-06-23

    Differential scanning calorimetry (DSC), the most important technique for studying the thermodynamics of structural transitions of biological macromolecules, is seldom used in quantitative thermodynamic studies of surfactant micellization/demicellization. The reason for this could be ascribed to an insufficient understanding of the temperature dependence of the heat capacity of surfactant solutions (DSC data) in terms of thermodynamics, which leads to problems with the design of experiments and interpretation of the output signals. We address these issues by careful design of DSC experiments performed with solutions of ionic and nonionic surfactants at various surfactant concentrations, and individual and global mass-action model analysis of the obtained DSC data. Our approach leads to reliable thermodynamic parameters of micellization for all types of surfactants, comparable with those obtained by using isothermal titration calorimetry (ITC). In summary, we demonstrate that DSC can be successfully used as an independent method to obtain temperature-dependent thermodynamic parameters for micellization. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. Absolute determination of the gelling point of gelatin under quasi-thermodynamic equilibrium.

    Science.gov (United States)

    Bellini, Franco; Alberini, Ivana; Ferreyra, María G; Rintoul, Ignacio

    2015-05-01

    Thermodynamic studies on phase transformation of biopolymers in solution are useful to understand their nature and to evaluate their technological potentials. Thermodynamic studies should be conducted avoiding time-related phenomena. This condition is not easily achieved in hydrophilic biopolymers. In this contribution, the simultaneous effects of pH, salt concentration, and cooling rate (Cr) on the folding from random coil to triple helical collagen-like structures of gelatin were systematically studied. The phase transformation temperature at the absolute invariant condition of Cr = 0 °C/min (T(T)Cr=0) ) is introduced as a conceptual parameter to study phase transformations in biopolymers under quasi-thermodynamic equilibrium and avoiding interferences coming from time-related phenomena. Experimental phase diagrams obtained at different Cr are presented. The T(T)(Cr=0) compared with pH and TT(Cr=0) compared with [NaCl] diagram allowed to explore the transformation process at Cr = 0 °C/min. The results were explained by electrostatic interactions between the biopolymers and its solvation milieu. © 2015 Institute of Food Technologists®

  17. Equilibrium, kinetic and thermodynamic studies of adsorption of Th(IV) from aqueous solution onto kaolin

    International Nuclear Information System (INIS)

    Hongxia Zhang; Zhiwei Niu; Zhi Liu; Zhaodong Wen; Weiping Li; Xiaoyun Wang; Wangsuo Wu

    2015-01-01

    The kinetics and thermodynamics of the adsorption of Th(IV) on the kaolin were studied by using batch method. In addition, the experimental data were studied by dynamic and thermodynamic models. The results showed that the adsorption capacity of the adsorbent increased with increasing temperature and solid liquid ratio, but decreased with increasing initial Th(IV) ion concentration, and the best fit was obtained for the pseudo-second-order kinetics model. The calculated activation energy for adsorption was about 45 kJ/mol, which indicated the adsorption process to be chemisorption. The adsorption isotherm data could be well described by the Langmuir as well as Dubinin-Radushkevich model. The mean free energy (E) of adsorption was calculated to be about 15 kJ/mol. The thermodynamic data calculated showed that the adsorption was spontaneous and enhanced at higher temperature. Considering kinetics and equilibrium studies, the adsorption on the sites was the rate-limiting step and that adsorption was mainly a chemisorption process through cation exchange. (author)

  18. Adsorption of cadmium from aqueous solution onto untreated coffee grounds: Equilibrium, kinetics and thermodynamics

    Energy Technology Data Exchange (ETDEWEB)

    Azouaou, N., E-mail: azouaou20@yahoo.fr [Laboratory of Reaction Genius, Faculty of Mechanical and Processes Genius, University of Sciences and Technology Houari - Boumediene, USTHB, BP no 32 El Alia bab ezzouar, 16111 Algiers (Algeria); Sadaoui, Z. [Laboratory of Reaction Genius, Faculty of Mechanical and Processes Genius, University of Sciences and Technology Houari - Boumediene, USTHB, BP no 32 El Alia bab ezzouar, 16111 Algiers (Algeria); Djaafri, A. [Central laboratory, SEAAL, 97 Parc ben omar, Kouba, Algiers (Algeria); Mokaddem, H. [Laboratory of Reaction Genius, Faculty of Mechanical and Processes Genius, University of Sciences and Technology Houari - Boumediene, USTHB, BP no 32 El Alia bab ezzouar, 16111 Algiers (Algeria)

    2010-12-15

    Adsorption can be used as a cost effective and efficient technique for the removal of toxic heavy metals from wastewater. Waste materials with no further treatment such as coffee grounds from cafeterias may act as adsorbents for the removal of cadmium. Batch kinetic and equilibrium experiments were conducted to study the effects of contact time, adsorbent dose, initial pH, particle size, initial concentration of cadmium and temperature. Three adsorption isotherm models namely, Langmuir, Freundlich and Dubinin-Radushkevich were used to analyse the equilibrium data. The Langmuir isotherm which provided the best correlation for Cd{sup 2+} adsorption onto coffee grounds, shows that the adsorption was favourable and the adsorption capacity found was equal to 15.65 mg g{sup -1}. Thermodynamic parameters were evaluated and the adsorption was exothermic. The equilibrium was achieved less than 120 min. The adsorption kinetic data was fitted with first and second order kinetic models. Finally it was concluded that the cadmium adsorption kinetic onto coffee grounds was well fitted by second order kinetic model rather than first order model. The results suggest that coffee grounds have high possibility to be used as effective and economical adsorbent for Cd{sup 2+} removal.

  19. Adsorption of cadmium from aqueous solution onto untreated coffee grounds: Equilibrium, kinetics and thermodynamics

    International Nuclear Information System (INIS)

    Azouaou, N.; Sadaoui, Z.; Djaafri, A.; Mokaddem, H.

    2010-01-01

    Adsorption can be used as a cost effective and efficient technique for the removal of toxic heavy metals from wastewater. Waste materials with no further treatment such as coffee grounds from cafeterias may act as adsorbents for the removal of cadmium. Batch kinetic and equilibrium experiments were conducted to study the effects of contact time, adsorbent dose, initial pH, particle size, initial concentration of cadmium and temperature. Three adsorption isotherm models namely, Langmuir, Freundlich and Dubinin-Radushkevich were used to analyse the equilibrium data. The Langmuir isotherm which provided the best correlation for Cd 2+ adsorption onto coffee grounds, shows that the adsorption was favourable and the adsorption capacity found was equal to 15.65 mg g -1 . Thermodynamic parameters were evaluated and the adsorption was exothermic. The equilibrium was achieved less than 120 min. The adsorption kinetic data was fitted with first and second order kinetic models. Finally it was concluded that the cadmium adsorption kinetic onto coffee grounds was well fitted by second order kinetic model rather than first order model. The results suggest that coffee grounds have high possibility to be used as effective and economical adsorbent for Cd 2+ removal.

  20. Heat exchangers for high-temperature thermodynamic cycles

    International Nuclear Information System (INIS)

    Fraas, A.P.

    1975-01-01

    The special requirements of heat exchangers for high temperature thermodynamic cycles are outlined and discussed with particular emphasis on cost and thermal stress problems. Typical approaches that have been taken to a comprehensive solution intended to meet all of the many boundary conditions are then considered by examining seven typical designs including liquid-to-liquid heat exchangers for nuclear plants, a heater for a closed cycle gas turbine coupled to a fluidized bed coal combustion chamber, steam generators for nuclear plants, a fossil fuel-fired potassium boiler, and a potassium condenser-steam generator. (auth)

  1. GEODAT. Development of thermodynamic data for the thermodynamic equilibrium modeling of processes in deep geothermal formations. Combined report; GEODAT. Entwicklung von thermodynamischen Daten zur thermodynamischen Gleichgewichtsmodellierung von Prozessen in tiefen, geothermalen Schichten. Synthesebericht

    Energy Technology Data Exchange (ETDEWEB)

    Moog, Helge C. [Gesellschaft fuer Anlagen- und Reaktorsicherheit mbH (GRS), Koeln (Germany); Regenspurg, Simona [GeoForschungsZentrum Potsdam (Germany); Voigt, Wolfgang [Technische Univ. Bergakademie Freiberg (Germany). Inst. fuer Anorganische Chemie

    2015-02-15

    The concept for geothermal energy application for electricity generation can be differentiated into three compartments: In the geologic compartment cooled fluid is pressed into a porous or fractured rock formation, in the borehole compartment a hot fluid is pumped to the surface and back into the geothermal reservoir, in the aboveground facility the energy is extracted from the geothermal fluid by heat exchangers. Pressure and temperature changes influence the thermodynamic equilibrium of a system. The modeling of a geothermal system has therefore to consider besides the mass transport the heat transport and consequently changing solution compositions and the pressure/temperature effected chemical equilibrium. The GEODAT project is aimed to simulate the reactive mass transport in a geothermal reservoir in the North German basin (Gross Schoenebeck). The project was performed by the cooperation of three partners: Geoforschungsinstitut Potsdam, Bergakademie Freiberg and GRS.

  2. Non-equilibrium thermodynamical description of rhythmic motion patterns of active systems: a canonical-dissipative approach.

    Science.gov (United States)

    Dotov, D G; Kim, S; Frank, T D

    2015-02-01

    We derive explicit expressions for the non-equilibrium thermodynamical variables of a canonical-dissipative limit cycle oscillator describing rhythmic motion patterns of active systems. These variables are statistical entropy, non-equilibrium internal energy, and non-equilibrium free energy. In particular, the expression for the non-equilibrium free energy is derived as a function of a suitable control parameter. The control parameter determines the Hopf bifurcation point of the deterministic active system and describes the effective pumping of the oscillator. In analogy to the equilibrium free energy of the Landau theory, it is shown that the non-equilibrium free energy decays as a function of the control parameter. In doing so, a similarity between certain equilibrium and non-equilibrium phase transitions is pointed out. Data from an experiment on human rhythmic movements is presented. Estimates for pumping intensity as well as the thermodynamical variables are reported. It is shown that in the experiment the non-equilibrium free energy decayed when pumping intensity was increased, which is consistent with the theory. Moreover, pumping intensities close to zero could be observed at relatively slow intended rhythmic movements. In view of the Hopf bifurcation underlying the limit cycle oscillator model, this observation suggests that the intended limit cycle movements were actually more similar to trajectories of a randomly perturbed stable focus. Copyright © 2015 Elsevier Ireland Ltd. All rights reserved.

  3. A basic introduction to the thermodynamics of the Earth system far from equilibrium and maximum entropy production

    Science.gov (United States)

    Kleidon, A.

    2010-01-01

    The Earth system is remarkably different from its planetary neighbours in that it shows pronounced, strong global cycling of matter. These global cycles result in the maintenance of a unique thermodynamic state of the Earth's atmosphere which is far from thermodynamic equilibrium (TE). Here, I provide a simple introduction of the thermodynamic basis to understand why Earth system processes operate so far away from TE. I use a simple toy model to illustrate the application of non-equilibrium thermodynamics and to classify applications of the proposed principle of maximum entropy production (MEP) to such processes into three different cases of contrasting flexibility in the boundary conditions. I then provide a brief overview of the different processes within the Earth system that produce entropy, review actual examples of MEP in environmental and ecological systems, and discuss the role of interactions among dissipative processes in making boundary conditions more flexible. I close with a brief summary and conclusion. PMID:20368248

  4. A basic introduction to the thermodynamics of the Earth system far from equilibrium and maximum entropy production.

    Science.gov (United States)

    Kleidon, A

    2010-05-12

    The Earth system is remarkably different from its planetary neighbours in that it shows pronounced, strong global cycling of matter. These global cycles result in the maintenance of a unique thermodynamic state of the Earth's atmosphere which is far from thermodynamic equilibrium (TE). Here, I provide a simple introduction of the thermodynamic basis to understand why Earth system processes operate so far away from TE. I use a simple toy model to illustrate the application of non-equilibrium thermodynamics and to classify applications of the proposed principle of maximum entropy production (MEP) to such processes into three different cases of contrasting flexibility in the boundary conditions. I then provide a brief overview of the different processes within the Earth system that produce entropy, review actual examples of MEP in environmental and ecological systems, and discuss the role of interactions among dissipative processes in making boundary conditions more flexible. I close with a brief summary and conclusion.

  5. Correlations in plasma in thermodynamic equilibrium; Les correlations dans un plasma en equilibre

    Energy Technology Data Exchange (ETDEWEB)

    Yvon, J [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1958-07-01

    This paper treats of a fully, ionized plasma in thermodynamic equilibrium. An attempt is made at reviewing the calculation of spatial correlations in such a plasma. The equation of recurrence and the principle of superposition are used. The linear approximation is first treated. The next higher approximation is studied in the case of a neutral homogeneous and isotropic plasma. (author) [French] Un plasma completement ionise est en equilibre thermodynamique. On tente une mise au point du calcul des correlations de position dans ce plasma. On utilise les equations de recurrence et le principe de superposition. On expose d'abord l'approximation lineaire. Dans le cas d'un plasma neutre homogene et isotrope l'etude est poursuivie a l'approximation suivante. (auteur)

  6. Non local-thermodynamical-equilibrium effects in the simulation of laser-produced plasmas

    Science.gov (United States)

    Klapisch, M.; Bar-Shalom, A.; Oreg, J.; Colombant, D.

    1998-05-01

    Local thermodynamic equilibrium (LTE) breaks down in directly or indirectly driven laser plasmas because of sharp gradients, energy deposition, etc. For modeling non-LTE effects in hydrodynamical simulations, Busquet's model [Phys. Fluids B 5, 4191 (1993)] is very convenient and efficient. It uses off-line generated LTE opacities and equation of states via an effective, radiation-dependent ionization temperature Tz. An overview of the model is given. The results are compared with an elaborate collisional radiative model based on superconfigurations. The agreements for average charge Z* and opacities are surprisingly good, even more so when the plasma is immersed in a radiation field. Some remaining discrepancy at low density is attributed to dielectronic recombination. Improvement appears possible, especially for emissivities, because the concept of ionization temperature seems to be validated.

  7. Non local-thermodynamical-equilibrium effects in the simulation of laser-produced plasmas

    International Nuclear Information System (INIS)

    Klapisch, M.; Bar-Shalom, A.; Oreg, J.; Colombant, D.

    1998-01-01

    Local thermodynamic equilibrium (LTE) breaks down in directly or indirectly driven laser plasmas because of sharp gradients, energy deposition, etc. For modeling non-LTE effects in hydrodynamical simulations, Busquet close-quote s model [Phys. Fluids B 5, 4191 (1993)] is very convenient and efficient. It uses off-line generated LTE opacities and equation of states via an effective, radiation-dependent ionization temperature T z . An overview of the model is given. The results are compared with an elaborate collisional radiative model based on superconfigurations. The agreements for average charge Z * and opacities are surprisingly good, even more so when the plasma is immersed in a radiation field. Some remaining discrepancy at low density is attributed to dielectronic recombination. Improvement appears possible, especially for emissivities, because the concept of ionization temperature seems to be validated. copyright 1998 American Institute of Physics

  8. Telon Blue AGLF Adsorption by NiO Based Nanomaterials:Equilibrium, Kinetic And Thermodynamic Approach

    Directory of Open Access Journals (Sweden)

    Gizem Biçer

    2017-06-01

    Full Text Available In this study, the effects of adsorption parameters such as initial pH, initial dye concentration, temperature and adsorbent dosage on the colour removal from aqueous solution containing Telon Blue AGLF(TB AGLF textile dye were investigated by NiO based nanomaterials and then the compliance of the equilibrium data with the different isotherm models in the literature was evaluated. In the next step, the adsorption sytem was analyzed in terms of kinetics and thermodynamics. At the end of the study, XRD, SEM and FTIR analysis methods were used for the particle characterization. As a result of the experimental studies, it was detected the successful use of NiO based nanomaterials synthesized by aqueous solution method rarely seen in literature for colour removal. Through this study, it is believed that the additional contributions are provided to the scientific investigations about the recovery of the water resources.

  9. A non-equilibrium thermodynamic model for tumor extracellular matrix with enzymatic degradation

    Science.gov (United States)

    Xue, Shi-Lei; Li, Bo; Feng, Xi-Qiao; Gao, Huajian

    2017-07-01

    The extracellular matrix (ECM) of a solid tumor not only affords scaffolding to support tumor architecture and integrity but also plays an essential role in tumor growth, invasion, metastasis, and therapeutics. In this paper, a non-equilibrium thermodynamic theory is established to study the chemo-mechanical behaviors of tumor ECM, which is modeled as a poroelastic polyelectrolyte consisting of a collagen network and proteoglycans. By using the principle of maximum energy dissipation rate, we deduce a set of governing equations for drug transport and mechanosensitive enzymatic degradation in ECM. The results reveal that osmosis is primarily responsible for the compression resistance of ECM. It is suggested that a well-designed ECM degradation can effectively modify the tumor microenvironment for improved efficiency of cancer therapy. The theoretical predictions show a good agreement with relevant experimental observations. This study aimed to deepen our understanding of tumor ECM may be conducive to novel anticancer strategies.

  10. Computer codes for the evaluation of thermodynamic and transport properties for equilibrium air to 30000 K

    Science.gov (United States)

    Thompson, Richard A.; Lee, Kam-Pui; Gupta, Roop N.

    1991-01-01

    The computer codes developed here provide self-consistent thermodynamic and transport properties for equilibrium air for temperatures from 500 to 30000 K over a temperature range of 10 (exp -4) to 10 (exp -2) atm. These properties are computed through the use of temperature dependent curve fits for discrete values of pressure. Interpolation is employed for intermediate values of pressure. The curve fits are based on mixture values calculated from an 11-species air model. Individual species properties used in the mixture relations are obtained from a recent study by the present authors. A review and discussion of the sources and accuracy of the curve fitted data used herein are given in NASA RP 1260.

  11. Local Thermodynamic Equilibrium in Laser-Induced Breakdown Spectroscopy: Beyond the McWhirter criterion

    International Nuclear Information System (INIS)

    Cristoforetti, G.; De Giacomo, A.; Dell'Aglio, M.; Legnaioli, S.; Tognoni, E.; Palleschi, V.; Omenetto, N.

    2010-01-01

    In the Laser-Induced Breakdown Spectroscopy (LIBS) technique, the existence of Local Thermodynamic Equilibrium (LTE) is the essential requisite for meaningful application of theoretical Boltzmann-Maxwell and Saha-Eggert expressions that relate fundamental plasma parameters and concentration of analyte species. The most popular criterion reported in the literature dealing with plasma diagnostics, and usually invoked as a proof of the existence of LTE in the plasma, is the McWhirter criterion [R.W.P. McWhirter, in: Eds. R.H. Huddlestone, S.L. Leonard, Plasma Diagnostic Techniques, Academic Press, New York, 1965, pp. 201-264]. However, as pointed out in several papers, this criterion is known to be a necessary but not a sufficient condition to insure LTE. The considerations reported here are meant to briefly review the theoretical analysis underlying the concept of thermodynamic equilibrium and the derivation of the McWhirter criterion, and to critically discuss its application to a transient and non-homogeneous plasma, like that created by a laser pulse on solid targets. Specific examples are given of theoretical expressions involving relaxation times and diffusion coefficients, as well as a discussion of different experimental approaches involving space and time-resolved measurements that could be used to complement a positive result of the calculation of the minimum electron number density required for LTE using the McWhirter formula. It is argued that these approaches will allow a more complete assessment of the existence of LTE and therefore permit a better quantitative result. It is suggested that the mere use of the McWhirter criterion to assess the existence of LTE in laser-induced plasmas should be discontinued.

  12. A spreadsheet-coupled SOLGAS: A computerized thermodynamic equilibrium calculation tool. Revision 1

    Energy Technology Data Exchange (ETDEWEB)

    Trowbridge, L.D.; Leitnaker, J.M. [Oak Ridge K-25 Site, TN (United States). Technical Analysis and Operations Div.

    1995-07-01

    SOLGAS, an early computer program for calculating equilibrium in a chemical system, has been made more user-friendly, and several ``bells and whistles`` have been added. The necessity to include elemental species has been eliminated. The input of large numbers of starting conditions has been automated. A revised spreadsheet-based format for entering data, including non-ideal binary and ternary mixtures, simplifies and reduces chances for error. Calculational errors by SOLGAS are flagged, and several programming errors are corrected. Auxiliary programs are available to assemble and partially automate plotting of large amounts of data. Thermodynamic input data can be changed on line. The program can be operated with or without a co-processor. Copies of the program, suitable for the IBM-PC or compatibles with at least 384 bytes of low RAM, are available from the authors. This user manual contains appendices with examples of the use of SOLGAS. These range from elementary examples, such as, the relationships among water, ice, and water vapor, to more complex systems: phase diagram calculation of UF{sub 4} and UF{sub 6} system; burning UF{sub 4} in fluorine; thermodynamic calculation of the Cl-F-O-H system; equilibria calculations in the CCl{sub 4}--CH{sub 3}OH system; and limitations applicable to aqueous solutions. An appendix also contains the source code.

  13. Application of non-equilibrium thermodynamics to two-phase flows with a change of phase

    International Nuclear Information System (INIS)

    Delhaye, J.M.

    1969-01-01

    In this report we use the methods of non-equilibrium thermodynamics in two-phase flows. This paper follows a prior one in which we have studied the conservation laws and derived the general equations of two-phase flow. In the first part the basic ideas of thermodynamics of irreversible systems are given. We follow the classical point of view. The second part is concerned with the derivation of a closed set of equations for the two phase elementary volume model. In this model we assume that the elementary volume contains two phases and that it is possible to define a volumetric local concentration. To obtain the entropy balance we can choose either the reversibility of the barycentric motion or the reversibility of each phase. We adopt the last assumption and our derivation is the same as this of I.Prigogine and P. Mazur about the hydrodynamics of liquid helium. The scope of this work is not to find a general solution to the problems of two phase flows but to obtain a new set of equations which may be used to explain some characteristic phenomena of two-phase flow such as wave propagation or critical states. (author) [fr

  14. Bifurcation and Stability Analysis of the Equilibrium States in Thermodynamic Systems in a Small Vicinity of the Equilibrium Values of Parameters

    Science.gov (United States)

    Barsuk, Alexandr A.; Paladi, Florentin

    2018-04-01

    The dynamic behavior of thermodynamic system, described by one order parameter and one control parameter, in a small neighborhood of ordinary and bifurcation equilibrium values of the system parameters is studied. Using the general methods of investigating the branching (bifurcations) of solutions for nonlinear equations, we performed an exhaustive analysis of the order parameter dependences on the control parameter in a small vicinity of the equilibrium values of parameters, including the stability analysis of the equilibrium states, and the asymptotic behavior of the order parameter dependences on the control parameter (bifurcation diagrams). The peculiarities of the transition to an unstable state of the system are discussed, and the estimates of the transition time to the unstable state in the neighborhood of ordinary and bifurcation equilibrium values of parameters are given. The influence of an external field on the dynamic behavior of thermodynamic system is analyzed, and the peculiarities of the system dynamic behavior are discussed near the ordinary and bifurcation equilibrium values of parameters in the presence of external field. The dynamic process of magnetization of a ferromagnet is discussed by using the general methods of bifurcation and stability analysis presented in the paper.

  15. Effect of heavy ion irradiation on thermodynamically equilibrium Zr-Excel alloy

    Science.gov (United States)

    Yu, Hongbing; Liang, Jianlie; Yao, Zhongwen; Kirk, Mark A.; Daymond, Mark R.

    2017-05-01

    The thermodynamically equilibrium state was achieved in a Zr-Sn-Nb-Mo alloy by long-term annealing at an intermediate temperature. The fcc intermetallic Zr(Mo, Nb)2 enriched with Fe was observed at the equilibrium state. In-situ 1 MeV Kr2+ heavy ion irradiation was performed in a TEM to study the stability of the intermetallic particles under irradiation and the effects of the intermetallic particle on the evolution of type dislocation loops at different temperatures from 80 to 550 °C. Chemi-STEM elemental maps were made at the same particles before and after irradiation up to 10 dpa. It was found that no elemental redistribution occurs at 200 °C and below. Selective depletion of Fe was observed from some precipitates under irradiation at higher temperatures. No change in the morphology of particles and no evidence showing a crystalline to amorphous transformation were observed at all irradiation temperatures. The formation of type dislocation loops was observed under irradiation at 80 and 200 °C, but not at 450 and 550 °C. The loops were non-uniformly distributed; a localized high density of type dislocation loops were observed near the second phase particles; we suggest that loop nucleation is favored as a result of the stress induced by the particles, rather than by elemental redistribution. The stability of the second phase particles and the formation of the type loops under heavy ion irradiation are discussed.

  16. Thermodynamic and structure-property study of liquid-vapor equilibrium for aroma compounds.

    Science.gov (United States)

    Tromelin, Anne; Andriot, Isabelle; Kopjar, Mirela; Guichard, Elisabeth

    2010-04-14

    Thermodynamic parameters (T, DeltaH degrees , DeltaS degrees , K) were collected from the literature and/or calculated for five esters, four ketones, two aldehydes, and three alcohols, pure compounds and compounds in aqueous solution. Examination of correlations between these parameters and the range values of DeltaH degrees and DeltaS degrees puts forward the key roles of enthalpy for vaporization of pure compounds and of entropy in liquid-vapor equilibrium of compounds in aqueous solution. A structure-property relationship (SPR) study was performed using molecular descriptors on aroma compounds to better understand their vaporization behavior. In addition to the role of polarity for vapor-liquid equilibrium of compounds in aqueous solution, the structure-property study points out the role of chain length and branching, illustrated by the correlation between the connectivity index CHI-V-1 and the difference between T and log K for vaporization of pure compounds and compounds in aqueous solution. Moreover, examination of the esters' enthalpy values allowed a probable conformation adopted by ethyl octanoate in aqueous solution to be proposed.

  17. Thermodynamics of premixed combustion in a heat recirculating micro combustor

    International Nuclear Information System (INIS)

    Rana, Uttam; Chakraborty, Suman; Som, S.K.

    2014-01-01

    A thermodynamic model has been developed to evaluate exergy transfer and its destruction in the process of premixed combustion in a heat recirculating micro combustor. Exergy destruction caused by process irreversibilities is characterized by entropy generation in the process. The entropy transport equation along with the solution of temperature and species concentration fields in the wake of flame sheet assumptions have been used to determine the different components of entropy generation. The role of thermal conductivity and thickness of combustor wall, and Peclet number on transfer and destruction rate of exergy is depicted in the process of flame stabilization via heat recirculation. The entropy generations due to gas phase heat conduction and chemical reaction are identified as the major sources of exergy destruction. The total irreversibility in pre-flame region is confined only within a small distance upstream of the flame. It has been observed that the local volumetric entropy generation is higher near the axis than that near the combustor wall. The second law efficiency is almost invariant with heat loss from the combustor, Peclet number, and thermal conductivity and thickness of combustor wall. - Highlights: • Irreversibility in the combustor is mainly due to conduction and chemical reaction. • Entropy generation near the axis is higher compared to that near the wall. • Heat recirculation and process irreversibility decrease with heat loss. • The second law efficiency is almost independent of Peclet number. • Second law efficiency is almost independent of wall thermal conductivity

  18. The thermodynamics of enhanced heat transfer: a model study

    International Nuclear Information System (INIS)

    Hovhannisyan, Karen; Allahverdyan, Armen E

    2010-01-01

    Situations where a spontaneous process of energy or matter transfer is enhanced by an external device are widespread in nature (the human sweating system, enzyme catalysis, facilitated diffusion across biomembranes, industrial heat-exchangers and so on). The thermodynamics of such processes remains, however, open. Here we study enhanced heat transfer by using a model junction immersed between two thermal baths at different temperatures T h and T c (T h > T c ). The transferred heat power is enhanced via controlling the junction by means of external time-dependent fields. Provided that the spontaneous heat flow process is optimized over the junction Hamiltonian, any enhancement of this spontaneous process demands consumption and subsequent dissipation of work. The efficiency of the enhancement is defined via the increment in the heat power divided by the amount of work done. We show that this efficiency is bounded from above by T c /(T h − T c ). Formally this is identical to the Carnot bound for the efficiency of ordinary refrigerators which transfer heat from cold to hot bodies. It also shares some (but not all) physical features of the Carnot bound

  19. Atomistic-level non-equilibrium model for chemically reactive systems based on steepest-entropy-ascent quantum thermodynamics

    International Nuclear Information System (INIS)

    Li, Guanchen; Al-Abbasi, Omar; Von Spakovsky, Michael R

    2014-01-01

    This paper outlines an atomistic-level framework for modeling the non-equilibrium behavior of chemically reactive systems. The framework called steepest- entropy-ascent quantum thermodynamics (SEA-QT) is based on the paradigm of intrinsic quantum thermodynamic (IQT), which is a theory that unifies quantum mechanics and thermodynamics into a single discipline with wide applications to the study of non-equilibrium phenomena at the atomistic level. SEA-QT is a novel approach for describing the state of chemically reactive systems as well as the kinetic and dynamic features of the reaction process without any assumptions of near-equilibrium states or weak-interactions with a reservoir or bath. Entropy generation is the basis of the dissipation which takes place internal to the system and is, thus, the driving force of the chemical reaction(s). The SEA-QT non-equilibrium model is able to provide detailed information during the reaction process, providing a picture of the changes occurring in key thermodynamic properties (e.g., the instantaneous species concentrations, entropy and entropy generation, reaction coordinate, chemical affinities, reaction rate, etc). As an illustration, the SEA-QT framework is applied to an atomistic-level chemically reactive system governed by the reaction mechanism F + H 2 ↔ FH + H

  20. A procedure to find thermodynamic equilibrium constants for CO2 and CH4 adsorption on activated carbon.

    Science.gov (United States)

    Trinh, T T; van Erp, T S; Bedeaux, D; Kjelstrup, S; Grande, C A

    2015-03-28

    Thermodynamic equilibrium for adsorption means that the chemical potential of gas and adsorbed phase are equal. A precise knowledge of the chemical potential is, however, often lacking, because the activity coefficient of the adsorbate is not known. Adsorption isotherms are therefore commonly fitted to ideal models such as the Langmuir, Sips or Henry models. We propose here a new procedure to find the activity coefficient and the equilibrium constant for adsorption which uses the thermodynamic factor. Instead of fitting the data to a model, we calculate the thermodynamic factor and use this to find first the activity coefficient. We show, using published molecular simulation data, how this procedure gives the thermodynamic equilibrium constant and enthalpies of adsorption for CO2(g) on graphite. We also use published experimental data to find similar thermodynamic properties of CO2(g) and of CH4(g) adsorbed on activated carbon. The procedure gives a higher accuracy in the determination of enthalpies of adsorption than ideal models do.

  1. Acid-base equilibrium. A thermodynamic study of formation and stability of the Bi-2223 phase

    International Nuclear Information System (INIS)

    Xi, Z.; Zhou, L.

    1993-01-01

    A general acid-base equilibrium theory was proposed to explain the formation and stability of the Bi-2223 phase based on the Lewis acid base theory and principle of metallurgical physical chemistry. The acid-base nature of oxide was defined according to the electrostatic force between cation and oxygen anion. A series of experimental facts were systematically explained based on the theory: substitution of Bi for Ca in the Pb-free 2223 phase, and the effect of substitution of the high-valent cation for Bi 3+ ; oxygen-pressure atmosphere, and the heat-schocking technique on the formation and stability of the 2223 phase. 14 refs., 2 tabs

  2. The Dynamics of Heat A Unified Approach to Thermodynamics and Heat Transfer

    CERN Document Server

    Fuchs, Hans U

    2010-01-01

    Based on courses for students of science, engineering, and systems science at the Zurich University of Applied Sciences at Winterthur, this text approaches the fundamentals of thermodynamics from the point of view of continuum physics. By describing physical processes in terms of the flow and balance of physical quantities, the author achieves a unified approach to hydraulics, electricity, mechanics and thermodynamics. In this way, it becomes clear that entropy is the fundamental property that is transported in thermal processes (i.e., heat), and that temperature is the corresponding potential. The resulting theory of the creation, flow, and balance of entropy provides the foundation of a dynamical theory of heat. This extensively revised and updated second edition includes new material on dynamical chemical processes, thermoelectricity, and explicit dynamical modeling of thermal and chemical processes. To make the book more useful for courses on thermodynamics and physical chemistry at different levels, cove...

  3. A facilitated diffusion model constrained by the probability isotherm: a pedagogical exercise in intuitive non-equilibrium thermodynamics.

    Science.gov (United States)

    Chapman, Brian

    2017-06-01

    This paper seeks to develop a more thermodynamically sound pedagogy for students of biological transport than is currently available from either of the competing schools of linear non-equilibrium thermodynamics (LNET) or Michaelis-Menten kinetics (MMK). To this end, a minimal model of facilitated diffusion was constructed comprising four reversible steps: cis- substrate binding, cis → trans bound enzyme shuttling, trans -substrate dissociation and trans → cis free enzyme shuttling. All model parameters were subject to the second law constraint of the probability isotherm, which determined the unidirectional and net rates for each step and for the overall reaction through the law of mass action. Rapid equilibration scenarios require sensitive 'tuning' of the thermodynamic binding parameters to the equilibrium substrate concentration. All non-equilibrium scenarios show sigmoidal force-flux relations, with only a minority of cases having their quasi -linear portions close to equilibrium. Few cases fulfil the expectations of MMK relating reaction rates to enzyme saturation. This new approach illuminates and extends the concept of rate-limiting steps by focusing on the free energy dissipation associated with each reaction step and thereby deducing its respective relative chemical impedance. The crucial importance of an enzyme's being thermodynamically 'tuned' to its particular task, dependent on the cis- and trans- substrate concentrations with which it deals, is consistent with the occurrence of numerous isoforms for enzymes that transport a given substrate in physiologically different circumstances. This approach to kinetic modelling, being aligned with neither MMK nor LNET, is best described as intuitive non-equilibrium thermodynamics, and is recommended as a useful adjunct to the design and interpretation of experiments in biotransport.

  4. A thermodynamic data base for Tc to calculate equilibrium solubilities at temperatures up to 300 deg C

    Energy Technology Data Exchange (ETDEWEB)

    Puigdomenech, I [Studsvik AB, Nykoeping (Sweden); Bruno, J [Intera Information Technologies SL, Cerdanyola (Spain)

    1995-04-01

    Thermodynamic data has been selected for solids and aqueous species of technetium. Equilibrium constants have been calculated in the temperature range 0 to 300 deg C at a pressure of 1 bar for T<100 deg C and at the steam saturated pressure at higher temperatures. For aqueous species, the revised Helgeson-Kirkham-Flowers model is used for temperature extrapolations. The data base contains a large amount of estimated data, and the methods used for these estimations are described in detail. A new equation is presented that allows the estimation of {Delta}{sub r}Cdeg{sub pm} values for mononuclear hydrolysis reactions. The formation constants for chloro complexes of Tc(V) and Tc(IV), whose existence is well established, have been estimated. The majority of entropy and heat capacity values in the data base have also been estimated, and therefore temperature extrapolations are largely based on estimations. The uncertainties derived from these calculations are described. Using the data base developed in this work, technetium solubilities have been calculated as a function of temperature for different chemical conditions. The implications for the mobility of Tc under nuclear repository conditions are discussed. 70 refs.

  5. The Zr-Pt system. Experimental determination of the phase equilibrium conditions, and obtention of the diagram by thermodynamical modeling

    International Nuclear Information System (INIS)

    Alonso, Regina P.

    1997-01-01

    Two regions in the zirconium-platinum system (Zr-Pt) were investigated, namely, the zirconium rich and the platinum rich regions. With this purpose, five alloys were obtained. The performed experiences consisted on heat treatments and electrical resistivity variations with temperature measurements. The appearing phases were analyzed by optical and scanning electron microscopy (SEM), quantitative microanalysis and X-ray diffraction techniques. Besides that, the existing phases in the rich zirconium region between 0 and 50 % at. Pt were thermodynamically modelled and the resulting diagram was calculated by means of the Thermocalc computational program. Several proposals were formulated: a) A change in the eutectoid transformation temperature βZr ↔ αZr + pp (800 C degrees according to this work); b) The existence of the phase Zr 3 Pt in the equilibrium diagram; c) The existence of the peritectic transformation Liquid + Zr 5 Pt 3 ↔ Zr 3 Pt; d) The occurrence of the two - phases region ZrPt 3 + ZrPt 8 between 1050 and 1320 C degrees, and finally; e) The occurrence of the peritectic transformation ZrPt 3 + Liquid ↔ γPt was verified. (author)

  6. A NON-LOCAL THERMODYNAMIC EQUILIBRIUM ANALYSIS OF BORON ABUNDANCES IN METAL-POOR STARS

    International Nuclear Information System (INIS)

    Tan Kefeng; Shi Jianrong; Zhao Gang

    2010-01-01

    The non-local thermodynamic equilibrium (NLTE) line formation of neutral boron in the atmospheres of cool stars are investigated. Our results confirm that NLTE effects for the B I resonance lines, which are due to a combination of overionization and optical pumping effects, are most important for hot, metal-poor, and low-gravity stars; however, the amplitude of departures from local thermodynamic equilibrium (LTE) found by this work is smaller than that of previous studies. In addition, our calculation shows that the line formation of B I will get closer to LTE if the strength of collisions with neutral hydrogen increases, which is contrary to the result of previous studies. The NLTE line formation results are applied to the determination of boron abundances for a sample of 16 metal-poor stars with the method of spectrum synthesis of the B I 2497 A resonance lines using the archived HST/GHRS spectra. Beryllium and oxygen abundances are also determined for these stars with the published equivalent widths of the Be II 3131 A resonance and O I 7774 A triplet lines, respectively. The abundances of the nine stars which are not depleted in Be or B show that, no matter what the strength of collisions with neutral hydrogen may be, both Be and B increase with O quasilinearly in the logarithmic plane, which confirms the conclusions that Be and B are mainly produced by the primary process in the early Galaxy. The most noteworthy result of this work is that B increases with Fe or O at a very similar speed as, or a bit faster than, Be does, which is in accord with the theoretical models. The B/Be ratios remain almost constant over the metallicity range investigated here. Our average B/Be ratio falls in the interval [13 ± 4, 17 ± 4], which is consistent with the predictions of the spallation process. The contribution of B from the ν-process may be required if the 11 B/ 10 B isotopic ratios in metal-poor stars are the same as the meteoric value. An accurate measurement of the

  7. Effect of heavy ion irradiation on thermodynamically equilibrium Zr-Excel alloy

    Energy Technology Data Exchange (ETDEWEB)

    Yu, Hongbing [Department of Mechanical and Materials Engineering, Queen' s University, Kingston, ON, K7L 3N6 (Canada); Liang, Jianlie [Department of Mechanical and Materials Engineering, Queen' s University, Kingston, ON, K7L 3N6 (Canada); College of Science, Guangxi University for Nationalities, 188, East Da Xue Rd., Nanning, Guangxi, 530006 P.R.C (China); Yao, Zhongwen, E-mail: yaoz@queensu.ca [Department of Mechanical and Materials Engineering, Queen' s University, Kingston, ON, K7L 3N6 (Canada); Kirk, Mark A. [Material Science Division Argonne National Laboratory, Argonne, IL 60439 (United States); Daymond, Mark R., E-mail: mark.daymond@queensu.ca [Department of Mechanical and Materials Engineering, Queen' s University, Kingston, ON, K7L 3N6 (Canada)

    2017-05-15

    The thermodynamically equilibrium state was achieved in a Zr-Sn-Nb-Mo alloy by long-term annealing at an intermediate temperature. The fcc intermetallic Zr(Mo, Nb){sub 2} enriched with Fe was observed at the equilibrium state. In-situ 1 MeV Kr{sup 2+} heavy ion irradiation was performed in a TEM to study the stability of the intermetallic particles under irradiation and the effects of the intermetallic particle on the evolution of type dislocation loops at different temperatures from 80 to 550 °C. Chemi-STEM elemental maps were made at the same particles before and after irradiation up to 10 dpa. It was found that no elemental redistribution occurs at 200 °C and below. Selective depletion of Fe was observed from some precipitates under irradiation at higher temperatures. No change in the morphology of particles and no evidence showing a crystalline to amorphous transformation were observed at all irradiation temperatures. The formation of type dislocation loops was observed under irradiation at 80 and 200 °C, but not at 450 and 550 °C. The loops were non-uniformly distributed; a localized high density of type dislocation loops were observed near the second phase particles; we suggest that loop nucleation is favored as a result of the stress induced by the particles, rather than by elemental redistribution. The stability of the second phase particles and the formation of the type loops under heavy ion irradiation are discussed.

  8. General method and thermodynamic tables for computation of equilibrium composition and temperature of chemical reactions

    Science.gov (United States)

    Huff, Vearl N; Gordon, Sanford; Morrell, Virginia E

    1951-01-01

    A rapidly convergent successive approximation process is described that simultaneously determines both composition and temperature resulting from a chemical reaction. This method is suitable for use with any set of reactants over the complete range of mixture ratios as long as the products of reaction are ideal gases. An approximate treatment of limited amounts of liquids and solids is also included. This method is particularly suited to problems having a large number of products of reaction and to problems that require determination of such properties as specific heat or velocity of sound of a dissociating mixture. The method presented is applicable to a wide variety of problems that include (1) combustion at constant pressure or volume; and (2) isentropic expansion to an assigned pressure, temperature, or Mach number. Tables of thermodynamic functions needed with this method are included for 42 substances for convenience in numerical computations.

  9. Linear and nonlinear thermodynamics of a kinetic heat engine with fast transformations

    Science.gov (United States)

    Cerino, Luca; Puglisi, Andrea; Vulpiani, Angelo

    2016-04-01

    We investigate a kinetic heat engine model composed of particles enclosed in a box where one side acts as a thermostat and the opposite side is a piston exerting a given pressure. Pressure and temperature are varied in a cyclical protocol of period τ : their relative excursions, δ and ɛ , respectively, constitute the thermodynamic forces dragging the system out of equilibrium. The analysis of the entropy production of the system allows us to define the conjugated fluxes, which are proportional to the extracted work and the consumed heat. In the limit of small δ and ɛ the fluxes are linear in the forces through a τ -dependent Onsager matrix whose off-diagonal elements satisfy a reciprocal relation. The dynamics of the piston can be approximated, through a coarse-graining procedure, by a Klein-Kramers equation which—in the linear regime—yields analytic expressions for the Onsager coefficients and the entropy production. A study of the efficiency at maximum power shows that the Curzon-Ahlborn formula is always an upper limit which is approached at increasing values of the thermodynamic forces, i.e., outside of the linear regime. In all our analysis the adiabatic limit τ →∞ and the the small-force limit δ ,ɛ →0 are not directly related.

  10. Early history of extended irreversible thermodynamics (1953-1983): An exploration beyond local equilibrium and classical transport theory

    Science.gov (United States)

    Lebon, G.; Jou, D.

    2015-06-01

    This paper gives a historical account of the early years (1953-1983) of extended irreversible thermodynamics (EIT). The salient features of this formalism are to upgrade the thermodynamic fluxes of mass, momentum, energy, and others, to the status of independent variables, and to explore the consistency between generalized transport equations and a generalized version of the second law of thermodynamics. This requires going beyond classical irreversible thermodynamics by redefining entropy and entropy flux. EIT provides deeper foundations, closer relations with microscopic formalisms, a wider spectrum of applications, and a more exciting conceptual appeal to non-equilibrium thermodynamics. We first recall the historical contributions by Maxwell, Cattaneo, and Grad on generalized transport equations. A thermodynamic theory wide enough to cope with such transport equations was independently proposed between 1953 and 1983 by several authors, each emphasizing different kinds of problems. In 1983, the first international meeting on this theory took place in Bellaterra (Barcelona). It provided the opportunity for the various authors to meet together for the first time and to discuss the common points and the specific differences of their previous formulations. From then on, a large amount of applications and theoretical confirmations have emerged. From the historical point of view, the emergence of EIT has been an opportunity to revisit the foundations and to open new avenues in thermodynamics, one of the most classical and well consolidated physical theories.

  11. Non-equilibrium thermodynamics theory of econometric source discovery for large data analysis

    Science.gov (United States)

    van Bergem, Rutger; Jenkins, Jeffrey; Benachenhou, Dalila; Szu, Harold

    2014-05-01

    Almost all consumer and firm transactions are achieved using computers and as a result gives rise to increasingly large amounts of data available for analysts. The gold standard in Economic data manipulation techniques matured during a period of limited data access, and the new Large Data Analysis (LDA) paradigm we all face may quickly obfuscate most tools used by Economists. When coupled with an increased availability of numerous unstructured, multi-modal data sets, the impending 'data tsunami' could have serious detrimental effects for Economic forecasting, analysis, and research in general. Given this reality we propose a decision-aid framework for Augmented-LDA (A-LDA) - a synergistic approach to LDA which combines traditional supervised, rule-based Machine Learning (ML) strategies to iteratively uncover hidden sources in large data, the artificial neural network (ANN) Unsupervised Learning (USL) at the minimum Helmholtz free energy for isothermal dynamic equilibrium strategies, and the Economic intuitions required to handle problems encountered when interpreting large amounts of Financial or Economic data. To make the ANN USL framework applicable to economics we define the temperature, entropy, and energy concepts in Economics from non-equilibrium molecular thermodynamics of Boltzmann viewpoint, as well as defining an information geometry, on which the ANN can operate using USL to reduce information saturation. An exemplar of such a system representation is given for firm industry equilibrium. We demonstrate the traditional ML methodology in the economics context and leverage firm financial data to explore a frontier concept known as behavioral heterogeneity. Behavioral heterogeneity on the firm level can be imagined as a firm's interactions with different types of Economic entities over time. These interactions could impose varying degrees of institutional constraints on a firm's business behavior. We specifically look at behavioral heterogeneity for firms

  12. A pseudo-equilibrium thermodynamic model of information processing in nonlinear brain dynamics.

    Science.gov (United States)

    Freeman, Walter J

    2008-01-01

    Computational models of brain dynamics fall short of performance in speed and robustness of pattern recognition in detecting minute but highly significant pattern fragments. A novel model employs the properties of thermodynamic systems operating far from equilibrium, which is analyzed by linearization near adaptive operating points using root locus techniques. Such systems construct order by dissipating energy. Reinforcement learning of conditioned stimuli creates a landscape of attractors and their basins in each sensory cortex by forming nerve cell assemblies in cortical connectivity. Retrieval of a selected category of stored knowledge is by a phase transition that is induced by a conditioned stimulus, and that leads to pattern self-organization. Near self-regulated criticality the cortical background activity displays aperiodic null spikes at which analytic amplitude nears zero, and which constitute a form of Rayleigh noise. Phase transitions in recognition and recall are initiated at null spikes in the presence of an input signal, owing to the high signal-to-noise ratio that facilitates capture of cortex by an attractor, even by very weak activity that is typically evoked by a conditioned stimulus.

  13. Equilibrium, kinetic and thermodynamic studies on the adsorption of phenol onto graphene

    Energy Technology Data Exchange (ETDEWEB)

    Li, Yanhui, E-mail: liyanhui@tsinghua.org.cn [Laboratory of Fiber Materials and Modern Textile, The Growing Base for State Key Laboratory, College of Electromechanical Engineering, Qingdao University, 308 Ningxia Road, Qingdao 266071 (China); Du, Qiuju; Liu, Tonghao; Sun, Jiankun; Jiao, Yuqin [Laboratory of Fiber Materials and Modern Textile, The Growing Base for State Key Laboratory, College of Electromechanical Engineering, Qingdao University, 308 Ningxia Road, Qingdao 266071 (China); Xia, Yanzhi, E-mail: xiayzh@qdu.edu.cn [Laboratory of Fiber Materials and Modern Textile, The Growing Base for State Key Laboratory, College of Electromechanical Engineering, Qingdao University, 308 Ningxia Road, Qingdao 266071 (China); Xia, Linhua; Wang, Zonghua [Laboratory of Fiber Materials and Modern Textile, The Growing Base for State Key Laboratory, College of Electromechanical Engineering, Qingdao University, 308 Ningxia Road, Qingdao 266071 (China); Zhang, Wei; Wang, Kunlin; Zhu, Hongwei; Wu, Dehai [Key Laboratory for Advanced Manufacturing by Material Processing Technology, Department of Mechanical Engineering, Tsinghua University, Beijing 100084 (China)

    2012-08-15

    Graphical abstract: The effect of temperature on phenol adsorbed by graphene shows that the equilibrium adsorption capacity of phenol increases with the increase in temperature from 285 to 333 K. Increasing adsorption capacities with temperature indicates that the adsorption of phenol is controlled by an endothermic reaction. Highlights: ► The graphene has high phenol adsorption capacity. ► The graphene has a high specific surface area of 305 m{sup 2}/g. ► The adsorption capacity is high at acidic pH range. ► The graphene has rapid phenol adsorption rate. ► Phenol adsorption is a spontaneous and endothermic process. -- Abstract: Graphene, a new member of carbon family, has been prepared, characterized and used as adsorbent to remove phenol from aqueous solution. The effect parameters including pH, dosage, contact time, and temperature on the adsorption properties of phenol onto graphene were investigated. The results showed that the maximum adsorption capacity can reach 28.26 mg/g at the conditions of initial phenol concentration of 50 mg/L, pH 6.3 and 285 K. Adsorption data were well described by both Freundlich and Langmuir models. The kinetic study illustrated that the adsorption of phenol onto graphene fit the pseudo second-order model. The thermodynamic parameters indicated that the adsorption of phenol onto graphene was endothermic and spontaneous.

  14. Equilibrium, kinetic and thermodynamic studies on the adsorption of phenol onto graphene

    International Nuclear Information System (INIS)

    Li, Yanhui; Du, Qiuju; Liu, Tonghao; Sun, Jiankun; Jiao, Yuqin; Xia, Yanzhi; Xia, Linhua; Wang, Zonghua; Zhang, Wei; Wang, Kunlin; Zhu, Hongwei; Wu, Dehai

    2012-01-01

    Graphical abstract: The effect of temperature on phenol adsorbed by graphene shows that the equilibrium adsorption capacity of phenol increases with the increase in temperature from 285 to 333 K. Increasing adsorption capacities with temperature indicates that the adsorption of phenol is controlled by an endothermic reaction. Highlights: ► The graphene has high phenol adsorption capacity. ► The graphene has a high specific surface area of 305 m 2 /g. ► The adsorption capacity is high at acidic pH range. ► The graphene has rapid phenol adsorption rate. ► Phenol adsorption is a spontaneous and endothermic process. -- Abstract: Graphene, a new member of carbon family, has been prepared, characterized and used as adsorbent to remove phenol from aqueous solution. The effect parameters including pH, dosage, contact time, and temperature on the adsorption properties of phenol onto graphene were investigated. The results showed that the maximum adsorption capacity can reach 28.26 mg/g at the conditions of initial phenol concentration of 50 mg/L, pH 6.3 and 285 K. Adsorption data were well described by both Freundlich and Langmuir models. The kinetic study illustrated that the adsorption of phenol onto graphene fit the pseudo second-order model. The thermodynamic parameters indicated that the adsorption of phenol onto graphene was endothermic and spontaneous.

  15. Modeling of thermodynamic non-equilibrium flows around cylinders and in channels

    Science.gov (United States)

    Sinha, Avick; Gopalakrishnan, Shiva

    2017-11-01

    Numerical simulations for two different types of flash-boiling flows, namely shear flow (flow through a de-Laval nozzle) and free shear flow (flow past a cylinder) are carried out in the present study. The Homogenous Relaxation Model (HRM) is used to model the thermodynamic non-equilibrium process. It was observed that the vaporization of the fluid stream, which was initially maintained at a sub-cooled state, originates at the nozzle throat. This is because the fluid accelerates at the vena-contracta and subsequently the pressure falls below the saturation vapor pressure, generating a two-phase mixture in the diverging section of the nozzle. The mass flow rate at the nozzle was found to decrease with the increase in fluid inlet temperature. A similar phenomenon also occurs for the free shear case due to boundary layer separation, causing a drop in pressure behind the cylinder. The mass fraction of vapor is maximum at rear end of the cylinder, where the size of the wake is highest. As the back pressure is reduced, severe flashing behavior was observed. The numerical simulations were validated against available experimental data. The authors gratefully acknowledge funding from the public-private partnership between DST, Confederation of Indian Industry and General Electric Pvt. Ltd.

  16. A non-equilibrium thermodynamics model of reconstituted Ca(2+)-ATPase.

    Science.gov (United States)

    Waldeck, A R; van Dam, K; Berden, J; Kuchel, P W

    1998-01-01

    A non-equilibrium thermodynamics (NET) model describing the action of completely coupled or 'slipping' reconstituted Ca(2+)-ATPase is presented. Variation of the coupling stoichiometries with the magnitude of the electrochemical gradients, as the ATPase hydrolyzes ATP, is an indication of molecular slip. However, the Ca2+ and H+ membrane-leak conductances may also be a function of their respective gradients. Such non-ohmic leak typically yields 'flow-force' relationships that are similar to those that are obtained when the pump slips; hence, caution needs to be exercised when interpreting data of Ca(2+)-ATPase-mediated fluxes that display a non-linear dependence on the electrochemical proton (delta mu H) and/or calcium gradients (delta mu Ca). To address this issue, three experimentally verifiable relationships differentiating between membrane leak and enzymic slip were derived. First, by measuring delta mu H as a function of the rate of ATP hydrolysis by the enzyme. Second, by measuring the overall 'efficiency' of the pump as a function of delta mu H. Third, by measuring the proton ejection rate by the pump as a function of its ATP hydrolysis rate.

  17. Towards understanding how surface life can affect interior geological processes: a non-equilibrium thermodynamics approach

    Directory of Open Access Journals (Sweden)

    J. G. Dyke

    2011-06-01

    Full Text Available Life has significantly altered the Earth's atmosphere, oceans and crust. To what extent has it also affected interior geological processes? To address this question, three models of geological processes are formulated: mantle convection, continental crust uplift and erosion and oceanic crust recycling. These processes are characterised as non-equilibrium thermodynamic systems. Their states of disequilibrium are maintained by the power generated from the dissipation of energy from the interior of the Earth. Altering the thickness of continental crust via weathering and erosion affects the upper mantle temperature which leads to changes in rates of oceanic crust recycling and consequently rates of outgassing of carbon dioxide into the atmosphere. Estimates for the power generated by various elements in the Earth system are shown. This includes, inter alia, surface life generation of 264 TW of power, much greater than those of geological processes such as mantle convection at 12 TW. This high power results from life's ability to harvest energy directly from the sun. Life need only utilise a small fraction of the generated free chemical energy for geochemical transformations at the surface, such as affecting rates of weathering and erosion of continental rocks, in order to affect interior, geological processes. Consequently when assessing the effects of life on Earth, and potentially any planet with a significant biosphere, dynamical models may be required that better capture the coupled nature of biologically-mediated surface and interior processes.

  18. Equilibrium Kinetics and Thermodynamic Studies of the Adsorption of Tartrazine and Sunset Yellow

    Directory of Open Access Journals (Sweden)

    F. O. Okeola

    2017-04-01

    Full Text Available Batch adsorption experiment was carried out on freema (combination of Tartrazine and Sunset Yellow an adsorbent prepared from moringa pod. The adsorption capacity of the adsorbent was determined. Effect of such factors as initial concentration of the adsorbate solution, contact time with the adsorbent, pH of the dye solution, and temperature of the dye solution on the adsorption capacity of the absorbent was determined. The result showed that the optimum adsorption was attained at pH of 3, adsorption equilibrium was attained within 60 min. The adsorption capacity increases with increase in initial concentration of the dye solution. The result of the kinetics study showed that the adsorption process was better described by the pseudo-second order rate equation. The adsorption process fitted well with both Freundlich (R2 = 0.983 and Langmuir (R2 = 0.933 models. Thermodynamic result showed ΔH and ΔS were all negative. Gibbs free energy change (ΔG increases with increase in temperature of the dye solution.

  19. Biosorption of Cr(VI from AqueousSolution Using New Adsorbent: Equilibrium and Thermodynamic Study

    Directory of Open Access Journals (Sweden)

    Israa G. Zainal

    2010-01-01

    Full Text Available Biosorption is one such emerging technology which utilized naturally occurring waste materials to sequester heavy metals from polluted water. In the present study cinnamon was utilized for Cr(VI removal from aqueous solutions.It was found that a time of two hours was sufficient for sorption to attain equilibrium. The optimum pH was 2 for Cr(VI removal. Temprature has little influence on the biosorption process. The Cr(VI removal decreased with increase in temperature. The biosorption data was well fitted to Dubinin - Radushkevich (D-R, Freundlich and Tempkin adsorption isotherm models, although the correlation coefficient of Langmuir model was high but the calculated adsorption capacity did not agree with the experimental. The thermodynamic study reveals that the biosorption process is spontaneous and the spontaneity decreased with temperature increase and the process is exothermic accompanied by highly ordered adsorbate at the solid liquid interface. ΔH° values were negative and lie in the range of physical adsorption.

  20. Model uncertainties of local-thermodynamic-equilibrium K-shell spectroscopy

    Science.gov (United States)

    Nagayama, T.; Bailey, J. E.; Mancini, R. C.; Iglesias, C. A.; Hansen, S. B.; Blancard, C.; Chung, H. K.; Colgan, J.; Cosse, Ph.; Faussurier, G.; Florido, R.; Fontes, C. J.; Gilleron, F.; Golovkin, I. E.; Kilcrease, D. P.; Loisel, G.; MacFarlane, J. J.; Pain, J.-C.; Rochau, G. A.; Sherrill, M. E.; Lee, R. W.

    2016-09-01

    Local-thermodynamic-equilibrium (LTE) K-shell spectroscopy is a common tool to diagnose electron density, ne, and electron temperature, Te, of high-energy-density (HED) plasmas. Knowing the accuracy of such diagnostics is important to provide quantitative conclusions of many HED-plasma research efforts. For example, Fe opacities were recently measured at multiple conditions at the Sandia National Laboratories Z machine (Bailey et al., 2015), showing significant disagreement with modeled opacities. Since the plasma conditions were measured using K-shell spectroscopy of tracer Mg (Nagayama et al., 2014), one concern is the accuracy of the inferred Fe conditions. In this article, we investigate the K-shell spectroscopy model uncertainties by analyzing the Mg spectra computed with 11 different models at the same conditions. We find that the inferred conditions differ by ±20-30% in ne and ±2-4% in Te depending on the choice of spectral model. Also, we find that half of the Te uncertainty comes from ne uncertainty. To refine the accuracy of the K-shell spectroscopy, it is important to scrutinize and experimentally validate line-shape theory. We investigate the impact of the inferred ne and Te model uncertainty on the Fe opacity measurements. Its impact is small and does not explain the reported discrepancies.

  1. Kinetics, Equilibrium, and Thermodynamic Studies on Adsorption of Methylene Blue by Carbonized Plant Leaf Powder

    Directory of Open Access Journals (Sweden)

    V. Gunasekar

    2013-01-01

    Full Text Available Carbon synthesized from plant leaf powder was employed for the adsorption of methylene blue from aqueous effluent. Effects of pH (2, 4, 6, 8, and 9, dye concentration (50, 100, 150, and 200 mg/dm3, adsorbent dosage (0.5, 1.0, 1.5, and 2.0 g/dm3, and temperature (303, 313, and 323 K were studied. The process followed pseudo-second-order kinetics. Equilibrium data was examined with Langmuir and Freundlich isotherm models and Langmuir model was found to be the best fitting model with high R2 and low chi2 values. Langmuir monolayer adsorption capacity of the adsorbent was found to be 61.22 mg/g. From the thermodynamic analysis, ΔH, ΔG, and ΔS values for the adsorption of MB onto the plant leaf carbon were found out. From the values of free energy change, the process was found out to be feasible process. From the magnitude of ΔH, the process was found to be endothermic physisorption.

  2. Non-equilibrium thermochemical heat storage in porous media: Part 1 – Conceptual model

    International Nuclear Information System (INIS)

    Nagel, T.; Shao, H.; Singh, A.K.; Watanabe, N.; Roßkopf, C.; Linder, M.; Wörner, A.; Kolditz, O.

    2013-01-01

    Thermochemical energy storage can play an important role in the establishment of a reliable renewable energy supply and can increase the efficiency of industrial processes. The application of directly permeated reactive beds leads to strongly coupled mass and heat transport processes that also determine reaction kinetics. To advance this technology beyond the laboratory stage requires a thorough theoretical understanding of the multiphysics phenomena and their quantification on a scale relevant to engineering analyses. Here, the theoretical derivation of a macroscopic model for multicomponent compressible gas flow through a porous solid is presented along with its finite element implementation where solid–gas reactions occur and both phases have individual temperature fields. The model is embedded in the Theory of Porous Media and the derivation is based on the evaluation of the Clausius–Duhem inequality. Special emphasis is placed on the interphase coupling via mass, momentum and energy interaction terms and their effects are partially illustrated using numerical examples. Novel features of the implementation of the described model are verified via comparisons to analytical solutions. The specification, validation and application of the full model to a calcium hydroxide/calcium oxide based thermochemical storage system are the subject of part 2 of this study. - Highlights: • Rigorous application of the Theory of Porous Media and the 2nd law of thermodynamics. • Thermodynamically consistent model for thermochemical heat storage systems. • Multicomponent gas; modified Fick's and Darcy's law; thermal non-equilibrium; solid–gas reactions. • Clear distinction between source and production terms. • Open source finite element implementation and benchmarks

  3. Combined steam and carbon dioxide reforming of methane and side reactions: Thermodynamic equilibrium analysis and experimental application

    International Nuclear Information System (INIS)

    Jang, Won-Jun; Jeong, Dae-Woon; Shim, Jae-Oh; Kim, Hak-Min; Roh, Hyun-Seog; Son, In Hyuk; Lee, Seung Jae

    2016-01-01

    Highlights: • Selected variables have a significant influence on yields of synthesis gas. • (CO_2 + H_2O)/CH_4 affects the temperature which can achieve the maximum conversion. • Coke is formed at low temperatures even with excess oxidizing agent. • The occurrence of RWGS becomes critical in real chemical reactions. • Equilibrium conversions are maintained for 500 h without detectable deactivation. - Abstract: Thermodynamic equilibrium analysis of the combined steam and carbon dioxide reforming of methane (CSCRM) and side reactions was performed using total Gibbs free energy minimization. The effects of (CO_2 + H_2O)/CH_4 ratio (0.9–2.9), CO_2:H_2O ratio (3:1–1:3), and temperature (500–1000 °C) on the equilibrium conversions, yields, coke yield, and H_2/CO ratio were investigated. A (CO_2 + H_2O)/CH_4 ratio greater than 1.2, a CO_2:H_2O ratio of 1:2.1, and a temperature of at least 850 °C are preferable reaction conditions for the synthesis gas preparation in the gas to liquid process. Simulated conditions were applied to the CSCRM reaction and the experimental data were compared with the thermodynamic equilibrium results. The thermodynamic equilibrium results were mostly consistent with the experimental data, but the reverse water gas shift reaction rapidly occurred in the real chemical reaction and under excess oxidizing agent conditions. In addition, a long-term stability test (under simulated conditions) showed that the equilibrium conversion was maintained for 500 h and that the coke formation on the used catalyst was not observed.

  4. Future sustainable desalination using waste heat: kudos to thermodynamic synergy

    KAUST Repository

    Shahzad, Muhammad Wakil

    2015-12-02

    There has been a plethora of published literature on thermally-driven adsorption desalination (AD) cycles for seawater desalination due to their favorable environmentally friendly attributes, such as the ability to operate with low-temperature heat sources, from either the renewable or the exhaust gases, and having almost no major moving parts. We present an AD cycle for seawater desalination due to its unique ability to integrate higher water production yields with the existing desalination methods such as reverse osmosis (RO), multi-stage flashing (MSF) and multi-effect distillation (MED), etc. The hybrid cycles exploit the thermodynamic synergy between processes, leading to significant enhancement of the systems\\' performance ratio (PR). In this paper, we demonstrate experimentally the synergetic effect between the AD and MED cycles that results in quantum improvement in water production. The unique feature is in the internal latent heat recovery from the condenser unit of AD to the top-brine stage of MED, resulting in a combined, or simply termed as MEAD, cycle that requires no additional heat input other than the regeneration of an adsorbent. The batch-operated cycles are simple to implement and require low maintenance when compared with conventional desalination methods. Together, they offer a low energy and environmentally friendly desalination solution that addresses the major issues of the water-energy-environment nexus. © 2016 The Royal Society of Chemistry.

  5. On Thermodynamics Problems in the Single-Phase-Lagging Heat Conduction Model

    Directory of Open Access Journals (Sweden)

    Shu-Nan Li

    2016-11-01

    Full Text Available Thermodynamics problems for the single-phase-lagging (SPL model have not been much studied. In this paper, the violation of the second law of thermodynamics by the SPL model is studied from two perspectives, which are the negative entropy production rate and breaking equilibrium spontaneously. The methods for the SPL model to avoid the negative entropy production rate are proposed, which are extended irreversible thermodynamics and the thermal relaxation time. Modifying the entropy production rate positive or zero is not enough to avoid the violation of the second law of thermodynamics for the SPL model, because the SPL model could cause breaking equilibrium spontaneously in some special circumstances. As comparison, it is shown that Fourier’s law and the CV model cannot break equilibrium spontaneously by analyzing mathematical energy integral.

  6. Direct evidence of departure from local thermodynamic equilibrium in a free-burning arc-discharge plasma

    International Nuclear Information System (INIS)

    Snyder, S.C.; Lassahn, G.D.; Reynolds, L.D.

    1993-01-01

    Radial profiles of gas temperature, electron temperature, and electron density were measured in a free-burning atmospheric-pressure argon arc-discharge plasma using line-shape analysis of scattered laser light. This method yields gas temperature, electron temperature, and electron density directly, with no reliance on the assumption of local thermodynamic equilibrium (LTE). Our results show a significant departure from LTE in the center of the discharge, contrary to expectations

  7. Particle creation and non-equilibrium thermodynamical prescription of dark fluids for universe bounded by an event horizon

    OpenAIRE

    Saha, Subhajit; Biswas, Atreyee; Chakraborty, Subenoy

    2015-01-01

    In the present work, flat FRW model of the universe is considered to be an isolated open thermodynamical system where non-equilibrium prescription has been studied using the mechanism of particle creation. In the perspective of recent observational evidences, the matter distribution in the universe is assumed to be dominated by dark matter and dark energy. The dark matter is chosen as dust while for dark energy, the following choices are considered: (i) Perfect fluid with constant equation of...

  8. Statistical thermodynamics

    International Nuclear Information System (INIS)

    Hwang, Jeong Ui; Jang, Jong Jae; Jee, Jong Gi

    1987-01-01

    The contents of this book are thermodynamics on the law of thermodynamics, classical thermodynamics and molecule thermodynamics, basics of molecule thermodynamics, molecule and assembly partition function, molecule partition function, classical molecule partition function, thermodynamics function for ideal assembly in fixed system, thermodynamics function for ideal assembly in running system, Maxwell-Boltzmann's law of distribution, chemical equilibrium like calculation of equilibrium constant and theory of absolute reaction rate.

  9. Biosorption studies on waste cotton seed for cationic dyes sequestration: equilibrium and thermodynamics

    Science.gov (United States)

    Sivarajasekar, N.; Baskar, R.; Ragu, T.; Sarika, K.; Preethi, N.; Radhika, T.

    2017-07-01

    The immature Gossypium hirsutum seeds—an agricultural waste was converted into a novel adsorbent and its effectiveness for cationic dyes removal was discussed in this study. Characterization revealed that sulfuric acid activated waste Gossypium hirsutum seed (WGSAB) contains surface area 496 m2 g-1. The ability of WGSAB to adsorb basic red 2 (BR2) and basic violet 3 (BV3) from aqueous solutions has been studied. Batch adsorption studies were carried out at different initial dye concentrations (100-300 mg l-1), contact time (1-5 h), pH (2-12) and temperature (293-323 K) to understand the adsorption mechanism. Adsorption data were modeled using Langmuir, Freundlich and Toth adsorption isotherms. Equilibrium data of the adsorption process fitted very well to the Toth model for both dyes. The Langmuir maximum adsorption capacity was 66.69 mg g-1 for BV3 and 50.11 mg g-1 for BR2 at optimum conditions. The near unity value of Toth isotherm constant (BR2: 0.999 and BV3: 1.0) indicates that WGSAB surface is heterogeneous in nature. The maximum adsorption capacity predicted by Toth isotherm of BV3 (66.699 mg g-1) is higher than BR2 (50.310 mg g-1). The kinetic investigation revealed that the BR2 and BV3 were chemisorbed on WGSAB surface following Avrami fractional order kinetics. Further, the fractional order and rate constant values are almost similar for every concentration in both the dyes. The thermodynamic parameters such as Δ H 0, Δ S 0 and Δ G 0 were evaluated. The dye adsorption process was found to be spontaneous and endothermic for the two dyes. Regeneration of WGSAB exhausted by the two dyes could be possible via acetic acid as elutant.

  10. Equilibrium, thermodynamic and kinetic investigations for biosorption of uranium with green algae (Cladophora hutchinsiae).

    Science.gov (United States)

    Bağda, Esra; Tuzen, Mustafa; Sarı, Ahmet

    2017-09-01

    Removal of toxic chemicals from environmental samples with low-cost methods and materials are very useful approach for especially large-scale applications. Green algae are highly abundant biomaterials which are employed as useful biosorbents in many studies. In the present study, an interesting type of green algae, Cladophora hutchinsiae (C. hutchinsiae) was used for removal of highly toxic chemical such as uranium. The pH, biosorbent concentration, contact time and temperature were optimized as 5.0, 12 g/L, 60 min and 20 °C, respectively. For the equilibrium calculations, three well known isotherm models (Langmuir, Freundlich and Dubinin-Radushkevich) were employed. The maximum biosorption capacity of the biosorbent was calculated as about 152 mg/g under the optimum batch conditions. The mean energy of biosorption was calculated as 8.39 kJ/mol from the D-R biosorption isotherm. The thermodynamic and kinetic characteristics of biosorption were also investigated to explain the nature of the process. The kinetic data best fits the pseudo-second-order kinetic model with a regression coefficient of >0.99 for all studied temperatures. The calculated ΔH° and ΔG° values showed that the biosorption process is exothermic and spontaneous for temperatures between 293 and 333 K. Furthermore, after seven cycling process, the sorption and desorption efficiencies of the biosorbent were found to be 70, and 58%, respectively meaning that the biosorbent had sufficiently high reusability performance as a clean-up tool. Copyright © 2017 Elsevier Ltd. All rights reserved.

  11. Phase equilibrium data and thermodynamic modeling of the system (CO2 + biodiesel + methanol) at high pressures

    International Nuclear Information System (INIS)

    Pinto, Leandro F.; Segalen da Silva, Diogo Italo; Rosa da Silva, Fabiano; Ramos, Luiz P.; Ndiaye, Papa M.; Corazza, Marcos L.

    2012-01-01

    Highlights: → We measured phase behavior for the system involving {CO 2 + biodiesel + methanol}. → The saturation pressures were obtained using a variable-volume view cell. → The experimental data were modeled using PR-vdW2 and PR-WS equations of state. - Abstract: The main objective of this work was to investigate the high pressure phase behavior of the binary systems {CO 2 (1) + methanol(2)} and {CO 2 (1) + soybean methyl esters (biodiesel)(2)} and the ternary system {CO 2 (1) + biodiesel(2) + methanol(3)} were determined. Biodiesel was produced from soybean oil, purified, characterized and used in this work. The static synthetic method, using a variable-volume view cell, was employed to obtain the experimental data in the temperature range of (303.15 to 343.15) K and pressures up to 21 MPa. The mole fractions of carbon dioxide were varied according to the systems as follows: (0.2383 to 0.8666) for the binary system {CO 2 (1) + methanol(2)}; (0.4201 to 0.9931) for the binary system {CO 2 (1) + biodiesel(2)}; (0.4864 to 0.9767) for the ternary system {CO 2 (1) + biodiesel(2) + methanol(3)} with a biodiesel to methanol molar ratio of (1:3); and (0.3732 to 0.9630) for the system {CO 2 + biodiesel + methanol} with a biodiesel to methanol molar ratio of (8:1). For these systems, (vapor + liquid), (liquid + liquid), (vapor + liquid + liquid) transitions were observed. The phase equilibrium data obtained for the systems were modeled using the Peng-Robinson equation of state with the classical van der Waals (PR-vdW2) and Wong-Sandler (PR-WS) mixing rules. Both thermodynamic models were able to satisfactorily correlate the phase behavior of the systems investigated and the PR-WS presented the best performance.

  12. Experimental benchmark of non-local-thermodynamic-equilibrium plasma atomic physics codes

    International Nuclear Information System (INIS)

    Nagels-Silvert, V.

    2004-09-01

    The main purpose of this thesis is to get experimental data for the testing and validation of atomic physics codes dealing with non-local-thermodynamical-equilibrium plasmas. The first part is dedicated to the spectroscopic study of xenon and krypton plasmas that have been produced by a nanosecond laser pulse interacting with a gas jet. A Thomson scattering diagnostic has allowed us to measure independently plasma parameters such as electron temperature, electron density and the average ionisation state. We have obtained time integrated spectra in the range between 5 and 10 angstroms. We have identified about one hundred xenon rays between 8.6 and 9.6 angstroms via the use of the Relac code. We have discovered unknown rays for the krypton between 5.2 and 7.5 angstroms. In a second experiment we have extended the wavelength range to the X UV domain. The Averroes/Transpec code has been tested in the ranges from 9 to 15 angstroms and from 10 to 130 angstroms, the first range has been well reproduced while the second range requires a more complex data analysis. The second part is dedicated to the spectroscopic study of aluminium, selenium and samarium plasmas in femtosecond operating rate. We have designed an interferometry diagnostic in the frequency domain that has allowed us to measure the expanding speed of the target's backside. Via the use of an adequate isothermal model this parameter has led us to know the plasma electron temperature. Spectra and emission times of various rays from the aluminium and selenium plasmas have been computed satisfactorily with the Averroes/Transpec code coupled with Film and Multif hydrodynamical codes. (A.C.)

  13. Many-objective thermodynamic optimization of Stirling heat engine

    International Nuclear Information System (INIS)

    Patel, Vivek; Savsani, Vimal; Mudgal, Anurag

    2017-01-01

    This paper presents a rigorous investigation of many-objective (four-objective) thermodynamic optimization of a Stirling heat engine. Many-objective optimization problem is formed by considering maximization of thermal efficiency, power output, ecological function and exergy efficiency. Multi-objective heat transfer search (MOHTS) algorithm is proposed and applied to obtain a set of Pareto-optimal points. Many objective optimization results form a solution in a four dimensional hyper objective space and for visualization it is represented on a two dimension objective space. Thus, results of four-objective optimization are represented by six Pareto fronts in two dimension objective space. These six Pareto fronts are compared with their corresponding two-objective Pareto fronts. Quantitative assessment of the obtained Pareto solutions is reported in terms of spread and the spacing measures. Different decision making approaches such as LINMAP, TOPSIS and fuzzy are used to select a final optimal solution from Pareto optimal set of many-objective optimization. Finally, to reveal the level of conflict between these objectives, distribution of each decision variable in their allowable range is also shown in two dimensional objective spaces. - Highlights: • Many-objective (i.e. four objective) optimization of Stirling engine is investigated. • MOHTS algorithm is introduced and applied to obtain a set of Pareto points. • Comparative results of many-objective and multi-objectives are presented. • Relationship of design variables in many-objective optimization are obtained. • Optimum solution is selected by using decision making approaches.

  14. Kinetics and thermodynamics of aqueous Cu(II adsorption on heat regenerated spent bleaching earth

    Directory of Open Access Journals (Sweden)

    Enos W. Wambu

    2011-08-01

    Full Text Available This study investigated the kinetics and thermodynamics of copper(II removal from aqueous solutions using spent bleaching earth (SBE. The spent bleaching earth, a waste material from edible oil processing industries, was reactivated by heat treatment at 370 oC after residual oil extraction in excess methyl-ethyl ketone. Copper adsorption tests were carried out at room temperature (22±3 oC using 5.4 x 10-3C M metal concentrations. More than 70% metal removal was recorded in the first four hours although adsorption continued to rise to within 90% at 42 hours. The pH, adsorbent dosage and initial concentrations were master variables affecting RSBE adsorption of Cu(II ions. The adsorption equilibrium was adequately described by the Dubinin-Radushkevich (D-R and the Temkin isotherms and the maximum sorption capacity derived from the D-R isotherm was compared with those of some other low cost adsorbents. The adsorption process was found to follow Lagergren Pseudo-second order kinetics complimented by intra-particle diffusion kinetics at prolonged periods of equilibration. Based on the D-R isotherm adsorption energy and the thermodynamic adsorption free energy ∆G, it was suggested that the process is spontaneous and based on electrostatic interactions between the metal ions and exposed active sites in the adsorbent surface.

  15. Pulsed IR Heating Studies of Single-Molecule DNA Duplex Dissociation Kinetics and Thermodynamics

    Science.gov (United States)

    Holmstrom, Erik D.; Dupuis, Nicholas F.; Nesbitt, David J.

    2014-01-01

    Single-molecule fluorescence spectroscopy is a powerful technique that makes it possible to observe the conformational dynamics associated with biomolecular processes. The addition of precise temperature control to these experiments can yield valuable thermodynamic information about equilibrium and kinetic rate constants. To accomplish this, we have developed a microscopy technique based on infrared laser overtone/combination band absorption to heat small (≈10−11 liter) volumes of water. Detailed experimental characterization of this technique reveals three major advantages over conventional stage heating methods: 1), a larger range of steady-state temperatures (20–100°C); 2), substantially superior spatial (≤20 μm) control; and 3), substantially superior temporal (≈1 ms) control. The flexibility and breadth of this spatial and temporally resolved laser-heating approach is demonstrated in single-molecule fluorescence assays designed to probe the dissociation of a 21 bp DNA duplex. These studies are used to support a kinetic model based on nucleic acid end fraying that describes dissociation for both short (10 bp) DNA duplexes. These measurements have been extended to explore temperature-dependent kinetics for the 21 bp construct, which permit determination of single-molecule activation enthalpies and entropies for DNA duplex dissociation. PMID:24411254

  16. Non-equilibrium Thermodynamic Dissolution Theory for Multi-Component Solid/Liquid Surfaces Involving Surface Adsorption and Radiolysis Kinetics

    International Nuclear Information System (INIS)

    Stout, R B

    2001-01-01

    A theoretical expression is developed for the dissolution rate response for multi-component radioactive materials that have surface adsorption kinetics and radiolysis kinetics when wetted by a multi-component aqueous solution. An application for this type of dissolution response is the performance evaluation of multi-component spent nuclear fuels (SNFs) for long term interim storage and for geological disposition. Typically, SNF compositions depend on initial composition, uranium oxide and metal alloys being most common, and on reactor burnup which results in a wide range of fission product and actinide concentrations that decay by alpha, beta, and gamma radiation. These compositional/burnup ranges of SNFs, whether placed in interim storage or emplaced in a geologic repository, will potentially be wetted by multi-component aqueous solutions, and these solutions may be further altered by radiolytic aqueous species due to three radiation fields. The solid states of the SNFs are not thermodynamically stable when wetted and will dissolve, with or without radiolysis. The following development of a dissolution theory is based on a non-equilibrium thermodynamic analysis of energy reactions and energy transport across a solid-liquid phase change discontinuity that propagates at a quasi-steady, dissolution velocity. The integral form of the energy balance equation is used for this spatial surface discontinuity analysis. The integral formulation contains internal energy functional of classical thermodynamics for both the SNFs' solid state and surface adsorption species, and the adjacent liquid state, which includes radiolytic chemical species. The steady-state concentrations of radiolytic chemical species are expressed by an approximate analysis of the decay radiation transport equation. For purposes of illustration a modified Temkin adsorption isotherm was assumed for the surface adsorption kinetics on an arbitrary, finite area of the solid-liquid dissolution interface. For

  17. Nonlocal effects in nonisothermal hydrodynamics from the perspective of beyond-equilibrium thermodynamics.

    Science.gov (United States)

    Hütter, Markus; Brader, Joseph M

    2009-06-07

    We examine the origins of nonlocality in a nonisothermal hydrodynamic formulation of a one-component fluid of particles that exhibit long-range correlations, e.g., due to a spherically symmetric, long-range interaction potential. In order to furnish the continuum modeling with physical understanding of the microscopic interactions and dynamics, we make use of systematic coarse graining from the microscopic to the continuum level. We thus arrive at a thermodynamically admissible and closed set of evolution equations for the densities of momentum, mass, and internal energy. From the consideration of an illustrative special case, the following main conclusions emerge. There are two different source terms in the momentum balance. The first is a body force, which in special circumstances can be related to the functional derivative of a nonlocal Helmholtz free energy density with respect to the mass density. The second source term is proportional to the temperature gradient, multiplied by the nonlocal entropy density. These two source terms combine into a pressure gradient only in the absence of long-range effects. In the irreversible contributions to the time evolution, the nonlocal contributions arise since the self-correlations of the stress tensor and heat flux, respectively, are nonlocal as a result of the microscopic nonlocal correlations. Finally, we point out specific points that warrant further discussions.

  18. Thermodynamic investigation of several natural polyols (I): Heat capacities and thermodynamic properties of xylitol

    Energy Technology Data Exchange (ETDEWEB)

    Tong Bo [Thermochemistry Laboratory, Dalian Institute of Chemical physics, Chinese Academy of Sciences, Dalian 116023 (China); Graduate School of the Chinese Academy of Sciences, Beijing 100049 (China); Tan Zhicheng [Thermochemistry Laboratory, Dalian Institute of Chemical physics, Chinese Academy of Sciences, Dalian 116023 (China) and College of Environmental Science and Engineering, Dalian Jiaotong University, Dalian 116028 (China)]. E-mail: tzc@dicp.ac.cn; Shi Quan [Thermochemistry Laboratory, Dalian Institute of Chemical physics, Chinese Academy of Sciences, Dalian 116023 (China); Graduate School of the Chinese Academy of Sciences, Beijing 100049 (China); Li Yansheng [College of Environmental Science and Engineering, Dalian Jiaotong University, Dalian 116028 (China); Yue Danting [Thermochemistry Laboratory, Dalian Institute of Chemical physics, Chinese Academy of Sciences, Dalian 116023 (China); Wang Shaoxu [College of Environmental Science and Engineering, Dalian Jiaotong University, Dalian 116028 (China)

    2007-06-15

    The low-temperature heat capacity C{sub p,m}{sup 0} of xylitol was precisely measured in the temperature range from 80 to 390K by means of a small sample automated adiabatic calorimeter. A solid-liquid phase transition was found from the experimental C{sub p}-T curve in the temperature range 360-375K with the peak heat capacity at 369.04K. The dependence of heat capacity on the temperature was fitted to the following polynomial equations with least square method. In the temperature range of 80-360K, C{sub p,m}{sup 0}(JK{sup -1}mol{sup -1})=165.87+105.19x+1.8011x{sup 2}-41.445x{sup 3}-41.851x{sup 4}+65.152x{sup =} 5+66.744x{sup 6},x=[T(K)-220]/140. In the temperature range of 370-390K, C{sub p,m}{sup 0}(JK{sup -1}mol{sup -1})=426.19+5.6366x,x=[T(K)-380]/10. The molar enthalpy and entropy of this transition were determined to be 33.26+/-0.17kJmol{sup -1} and 90.12+/-0.45JK{sup -1}mol{sup -1}, respectively. The standard thermodynamic functions (H{sub T}{sup 0}-H{sub 298.15}{sup 0}) and (S{sub T}{sup 0}-S{sub 298.15}{sup 0}), were derived from the heat capacity data in the temperature range of 80 to 390K with an interval of 5K. The standard molar enthalpy of combustion and the standard molar enthalpy of formation of the compound have been determined, {delta}{sub c}H{sub m}{sup 0} (C{sub 5}H{sub 12}O{sub 5}, cr)=(-2463.2+/-1.2)kJmol{sup -1}and {delta}{sub f}H{sub m}{sup 0} (C{sub 5}H{sub 12}O{sub 5}, cr)=(-1219.3+/-0.3)kJmol{sup -1}, by means of a precision oxygen bomb combustion calorimeter at T=298.15K. DSC and TG measurements were performed to study the thermal stability of the compound. The results were in agreement with those obtained from heat capacity measurements.

  19. Thermodynamic analysis on an instantaneous water heating system of shower wastewater source heat pump

    Directory of Open Access Journals (Sweden)

    Yuguo Wu

    2018-09-01

    Full Text Available Water reuse and desalination systems are energy intensive processes, and their increasing use is leading energy consumption within water systems to be an increasingly important issue. Shower wastewater contains large amounts of heat, so there is an opportunity to recover energy from shower water to offset energy consumption elsewhere in water systems. This paper found ways to increase the output of hot water and lower the energy consumption by establishing a thermodynamic model of an instantaneous wastewater source heat pump. The system proved to be very effective, the heating COP (coefficient of performance can reach 3.3 even in the winter. Under the conditions of limited heat transfer area, reducing the suction pressure of a compressor is a more feasible way to increase the hot water output to meet the needs of users rather than increasing the discharge pressure. Besides, increasing the heat transfer area of the evaporator is a more effective option. When the heat transfer area of evaporator varies from 0.5 to 1.0 square meters, a notable change is that the heating COP increases from 3.283 to 3.936. The heating COP in a system with a recuperator can reach 5.672, almost double that compared to the original systems.

  20. Thermodynamic analysis on theoretical models of cycle combined heat exchange process: The reversible heat exchange process

    International Nuclear Information System (INIS)

    Zhang, Chenghu; Li, Yaping

    2017-01-01

    Concept of reversible heat exchange process as the theoretical model of the cycle combined heat exchanger could be useful to determine thermodynamics characteristics and the limitation values in the isolated heat exchange system. In this study, the classification of the reversible heat exchange processes is presented, and with the numerical method, medium temperature variation tendency and the useful work production and usage in the whole process are investigated by the construction and solution of the mathematical descriptions. Various values of medium inlet temperatures and heat capacity ratio are considered to analyze the effects of process parameters on the outlet temperature lift/drop. The maximum process work transferred from the Carnot cycle region to the reverse cycle region is also researched. Moreover, influence of the separating point between different sub-processes on temperature variation profile and the process work production are analyzed. In addition, the heat-exchange-enhancement-factor is defined to study the enhancement effect of the application of the idealized process in the isolated heat exchange system, and the variation degree of this factor with process parameters change is obtained. The research results of this paper can be a theoretical guidance to construct the cycle combined heat exchange process in the practical system. - Highlights: • A theoretical model of Cycle combined heat exchange process is proposed. • The classification of reversible heat exchange process are presented. • Effects of Inlet temperatures and heat capacity ratio on process are analyzed. • Process work transmission through the whole process is studied. • Heat-exchange-enhancement-factor can be a criteria to express the application effect of the idealized process.

  1. Thermodynamic optimization of ground heat exchangers with single U-tube by entropy generation minimization method

    International Nuclear Information System (INIS)

    Li Min; Lai, Alvin C.K.

    2013-01-01

    Highlights: ► A second-law-based analysis is performed for single U-tube ground heat exchangers. ► Two expressions for the optimal length and flow velocity are developed for GHEs. ► Empirical velocities of GHEs are large compared to thermodynamic optimum values. - Abstract: This paper investigates thermodynamic performance of borehole ground heat exchangers with a single U-tube by the entropy generation minimization method which requires information of heat transfer and fluid mechanics, in addition to thermodynamics analysis. This study first derives an expression for dimensionless entropy generation number, a function that consists of five dimensionless variables, including Reynolds number, dimensionless borehole length, scale factor of pressures, and two duty parameters of ground heat exchangers. The derivation combines a heat transfer model and a hydraulics model for borehole ground heat exchangers with the first law and the second law of thermodynamics. Next, the entropy generation number is minimized to produce two analytical expressions for the optimal length and the optimal flow velocity of ground heat exchangers. Then, this paper discusses and analyzes implications and applications of these optimization formulas with two case studies. An important finding from the case studies is that widely used empirical velocities of circulating fluid are too large to operate ground-coupled heat pump systems in a thermodynamic optimization way. This paper demonstrates that thermodynamic optimal parameters of ground heat exchangers can probably be determined by using the entropy generation minimization method.

  2. Measurements and non-local thermodynamic equilibrium modeling of mid-Z plasma emission

    International Nuclear Information System (INIS)

    Jacquet, L.; Primout, M.; Kaiser, P.; Clouët, J. F.; Girard, F.; Villette, B.; Reverdin, C.; Oudot, G.

    2015-01-01

    The x-ray yields from laser-irradiated thin foils of iron, copper, zinc, and germanium have been measured in the soft and multi-keV x-ray ranges at the OMEGA laser at the Laboratory for Laser Energetics. The incident laser power had a pre-pulse to enhance the x-ray emission of a 1 ns flat-top main pulse. The experimental results have been compared with post-shot simulations performed with the two-dimensional radiation-hydrodynamics code FCI2. A new non-local thermodynamic equilibrium model, NOO-RAD, have been incorporated into FCI2. In this approach, the plasma ionization state is in-line calculated by the atomic physics NOHEL package. In the soft x-ray bands, both simulations using RADIOM [M. Busquet, Phys. Fluids B 5, 4191 (1993)] and NOO-RAD clearly over-predict the powers and energies measured by a broad-band spectrometer. In one case (the iron foil), the discrepancy between the measured and simulated x-ray output is nevertheless significantly reduced when NOO-RAD is used in the simulations. In the multi-keV x-ray bands, the simulations display a strong sensitivity to the coupling between the electron thermal conductivity and the NLTE models, and for some particular combinations of these, provide a close match to the measured emission. The comparison between the measured and simulated H-like to He-like line-intensity ratios deduced from high-resolution spectra indicates higher experimental electron temperatures were achieved, compared to the simulated ones. Measurements of the plasma conditions have been achieved using the Thomson-scattering diagnostic. The electron temperatures are found to range from 3 to 5 keV at the end of the laser pulse and are greater than predicted by the simulations. The measured flow velocities are in reasonable agreement with the calculated ones. This last finding gives us confidence in our numerical predictions for the plasma parameters, which are over that time mainly determined by hydrodynamics, such as the mass densities and

  3. Measurements and non-local thermodynamic equilibrium modeling of mid-Z plasma emission

    Science.gov (United States)

    Jacquet, L.; Primout, M.; Kaiser, P.; Clouët, J. F.; Girard, F.; Villette, B.; Reverdin, C.; Oudot, G.

    2015-12-01

    The x-ray yields from laser-irradiated thin foils of iron, copper, zinc, and germanium have been measured in the soft and multi-keV x-ray ranges at the OMEGA laser at the Laboratory for Laser Energetics. The incident laser power had a pre-pulse to enhance the x-ray emission of a 1 ns flat-top main pulse. The experimental results have been compared with post-shot simulations performed with the two-dimensional radiation-hydrodynamics code FCI2. A new non-local thermodynamic equilibrium model, NOO-RAD, have been incorporated into FCI2. In this approach, the plasma ionization state is in-line calculated by the atomic physics NOHEL package. In the soft x-ray bands, both simulations using RADIOM [M. Busquet, Phys. Fluids B 5, 4191 (1993)] and NOO-RAD clearly over-predict the powers and energies measured by a broad-band spectrometer. In one case (the iron foil), the discrepancy between the measured and simulated x-ray output is nevertheless significantly reduced when NOO-RAD is used in the simulations. In the multi-keV x-ray bands, the simulations display a strong sensitivity to the coupling between the electron thermal conductivity and the NLTE models, and for some particular combinations of these, provide a close match to the measured emission. The comparison between the measured and simulated H-like to He-like line-intensity ratios deduced from high-resolution spectra indicates higher experimental electron temperatures were achieved, compared to the simulated ones. Measurements of the plasma conditions have been achieved using the Thomson-scattering diagnostic. The electron temperatures are found to range from 3 to 5 keV at the end of the laser pulse and are greater than predicted by the simulations. The measured flow velocities are in reasonable agreement with the calculated ones. This last finding gives us confidence in our numerical predictions for the plasma parameters, which are over that time mainly determined by hydrodynamics, such as the mass densities and the

  4. Measurements and non-local thermodynamic equilibrium modeling of mid-Z plasma emission

    Energy Technology Data Exchange (ETDEWEB)

    Jacquet, L., E-mail: laurent.jacquet@cea.fr; Primout, M.; Kaiser, P.; Clouët, J. F.; Girard, F.; Villette, B.; Reverdin, C.; Oudot, G. [CEA, DAM, DIF, F-91297 Arpajon (France)

    2015-12-15

    The x-ray yields from laser-irradiated thin foils of iron, copper, zinc, and germanium have been measured in the soft and multi-keV x-ray ranges at the OMEGA laser at the Laboratory for Laser Energetics. The incident laser power had a pre-pulse to enhance the x-ray emission of a 1 ns flat-top main pulse. The experimental results have been compared with post-shot simulations performed with the two-dimensional radiation-hydrodynamics code FCI2. A new non-local thermodynamic equilibrium model, NOO-RAD, have been incorporated into FCI2. In this approach, the plasma ionization state is in-line calculated by the atomic physics NOHEL package. In the soft x-ray bands, both simulations using RADIOM [M. Busquet, Phys. Fluids B 5, 4191 (1993)] and NOO-RAD clearly over-predict the powers and energies measured by a broad-band spectrometer. In one case (the iron foil), the discrepancy between the measured and simulated x-ray output is nevertheless significantly reduced when NOO-RAD is used in the simulations. In the multi-keV x-ray bands, the simulations display a strong sensitivity to the coupling between the electron thermal conductivity and the NLTE models, and for some particular combinations of these, provide a close match to the measured emission. The comparison between the measured and simulated H-like to He-like line-intensity ratios deduced from high-resolution spectra indicates higher experimental electron temperatures were achieved, compared to the simulated ones. Measurements of the plasma conditions have been achieved using the Thomson-scattering diagnostic. The electron temperatures are found to range from 3 to 5 keV at the end of the laser pulse and are greater than predicted by the simulations. The measured flow velocities are in reasonable agreement with the calculated ones. This last finding gives us confidence in our numerical predictions for the plasma parameters, which are over that time mainly determined by hydrodynamics, such as the mass densities and

  5. Thermodynamic analysis of as-cast and heat-treated microstructures of Mg-Ce-Nd alloys

    International Nuclear Information System (INIS)

    Groebner, Joachim; Kozlov, Artem; Schmid-Fetzer, Rainer; Easton, Mark A.; Zhu Suming; Gibson, Mark A.; Nie, Jian-Feng

    2011-01-01

    Alloys based on Mg-rare earth (RE) systems are of increasing technical interest in automotive powertrain applications due to their superior elevated temperature creep resistance. However, there is a deficiency in the literature of phase diagrams of multi-component RE systems that could assist alloy development and composition refinement for enhanced property optimization. The phase relationships in the Mg-rich corner of the Mg-Ce-Nd system have been investigated through the evaluation of selected compositions in the as-cast and heat-treated condition. Consistent thermodynamic CALPHAD-type assessments have also been generated for the Mg-Ce-Nd system. It is shown that this system reveals a significant degree of metastability under technologically significant solidification conditions (i.e. permanent-mould or high-pressure die casting). This is simulated in thermodynamic calculations by suppression of the RE 5 Mg 41 phase and reasonable agreement is found with the as-cast microstructures. After heat treatment these microstructures transform, depending on the alloy composition, into phase assemblies consistent with the calculated stable equilibrium phase diagram. It is the elucidation of such metastable phase formation and the subsequent transformation from the as-cast to the heat-treated state that is a particular strength of the thermodynamic approach and which makes it a powerful tool for alloy development.

  6. Thermodynamic analysis of as-cast and heat-treated microstructures of Mg-Ce-Nd alloys

    Energy Technology Data Exchange (ETDEWEB)

    Groebner, Joachim; Kozlov, Artem [Institute of Metallurgy, Clausthal University of Technology, Robert-Koch-Str. 42, D-38678 Clausthal-Zellerfeld (Germany); Schmid-Fetzer, Rainer, E-mail: schmid-fetzer@tu-clausthal.de [Institute of Metallurgy, Clausthal University of Technology, Robert-Koch-Str. 42, D-38678 Clausthal-Zellerfeld (Germany); Easton, Mark A.; Zhu Suming [CAST CRC, Department of Materials Engineering, Monash University, Victoria 3800 (Australia); Gibson, Mark A. [CAST CRC, CSIRO Process Science and Engineering, Clayton, Victoria 3169 (Australia); Nie, Jian-Feng [CAST CRC, Department of Materials Engineering, Monash University, Victoria 3800 (Australia)

    2011-01-15

    Alloys based on Mg-rare earth (RE) systems are of increasing technical interest in automotive powertrain applications due to their superior elevated temperature creep resistance. However, there is a deficiency in the literature of phase diagrams of multi-component RE systems that could assist alloy development and composition refinement for enhanced property optimization. The phase relationships in the Mg-rich corner of the Mg-Ce-Nd system have been investigated through the evaluation of selected compositions in the as-cast and heat-treated condition. Consistent thermodynamic CALPHAD-type assessments have also been generated for the Mg-Ce-Nd system. It is shown that this system reveals a significant degree of metastability under technologically significant solidification conditions (i.e. permanent-mould or high-pressure die casting). This is simulated in thermodynamic calculations by suppression of the RE{sub 5}Mg{sub 41} phase and reasonable agreement is found with the as-cast microstructures. After heat treatment these microstructures transform, depending on the alloy composition, into phase assemblies consistent with the calculated stable equilibrium phase diagram. It is the elucidation of such metastable phase formation and the subsequent transformation from the as-cast to the heat-treated state that is a particular strength of the thermodynamic approach and which makes it a powerful tool for alloy development.

  7. Thermodynamic optimization of a coiled tube heat exchanger under constant wall heat flux condition

    International Nuclear Information System (INIS)

    Satapathy, Ashok K.

    2009-01-01

    In this paper the second law analysis of thermodynamic irreversibilities in a coiled tube heat exchanger has been carried out for both laminar and turbulent flow conditions. The expression for the scaled non-dimensional entropy generation rate for such a system is derived in terms of four dimensionless parameters: Prandtl number, heat exchanger duty parameter, Dean number and coil to tube diameter ratio. It has been observed that for a particular value of Prandtl number, Dean number and duty parameter, there exists an optimum diameter ratio where the entropy generation rate is minimum. It is also found that with increase in Dean number or Reynolds number, the optimum value of the diameter ratio decreases for a particular value of Prandtl number and heat exchanger duty parameter.

  8. Thermodynamic analysis of a directly heated oxyfuel supercritical power system

    International Nuclear Information System (INIS)

    Chowdhury, A.S.M. Arifur; Bugarin, Luz; Badhan, Antara; Choudhuri, Ahsan; Love, Norman

    2016-01-01

    Highlights: • A thermodynamic analysis of a supercritical power cycle is presented. • The supercritical power cycle is modeled using ASPEN HYSYS®. • A liquid methane and oxygen feed system is more efficient than a gaseous system. • CO_2 recirculated in gas form is 10.6% more efficient than when in liquid form. • Commercially available technologies permit liquid feed system delivery. - Abstract: Directly heated supercritical oxy-fuel gas turbines have potential to provide a higher thermal efficiency and lower pollutant emissions compared to current gas turbine systems. Motivated by the advantages of an oxyfuel-based directly heated supercritical power system, this paper presents an analysis of different operating conditions using ASPEN HYSYS®. This study first investigates the efficiency of gaseous or liquid methane and oxygen feed systems. T-s and P-v diagrams are generated and compared to each other to determine which is more efficient. The analysis revealed that the entropy generated during the combustion process for a liquid feed system is approximately three times higher than when methane and oxygen are compressed in gaseous form and delivered to the combustor and burned. To mitigate the high temperatures (3300 K) of the methane and oxygen combustion reaction, carbon dioxide is recirculated. For this portion of the system, the use of gaseous and liquid carbon dioxide recirculation loops and their corresponding efficiencies are determined. The investigation shows that the system yielded a higher net efficiency of 55.1% when gaseous carbon dioxide is recirculated as a diluent with liquid methane and oxygen delivery to the combustor.

  9. Departure from Local Thermodynamic Equilibrium in argon plasmas sustained in a Torche à Injection Axiale sur Guide d'Ondes

    International Nuclear Information System (INIS)

    Rincón, R.; Muñoz, J.; Calzada, M.D.

    2015-01-01

    Plasma torches are suitable plasma sources for a wide range of applications. The capability of these discharges to produce processes like sample excitation or decomposition of molecules inside them depends on the density of the plasma species and their energies (temperatures). The relation between these parameters determines the specific state of thermodynamic equilibrium in the discharge. Thus, the understanding of plasma possibilities for application purposes is related to the knowledge of the plasma thermodynamic equilibrium degree. In this paper a discussion about the equilibrium state for Ar plasmas generated by using a Torche à Injection Axiale sur Guide d'Ondes, TIAGO device, is presented. Emission spectroscopy techniques were used to measure gas temperature and electron density at the exit of the nozzle torch and along the dart. Boltzmann-plots as well as b p parameters were calculated to characterize the type and degree of departure from partial Local Saha Equilibrium (pLSE). This study indicates that the closer situation to Local Thermodynamic Equilibrium (LTE) of the plasma corresponds to larger Ar flows which highlights the importance of the nitrogen (atmosphere surrounding the plasma) in the kinetics of Ar-TIAGO discharges. - Highlights: • Discharges sustained in Ar using a TIAGO Torch show a significant departure from Local Thermodynamic Equilibrium. • Nitrogen entrance from surrounding air highly influences Thermodynamic Equilibrium. • Departure from LTE has been studied by means of Boltzmann plots and b p parameters. • The discharge is ionizing at the nozzle exit plasma, while along the dart it becomes recombining

  10. Stochastic thermodynamics

    Science.gov (United States)

    Eichhorn, Ralf; Aurell, Erik

    2014-04-01

    'Stochastic thermodynamics as a conceptual framework combines the stochastic energetics approach introduced a decade ago by Sekimoto [1] with the idea that entropy can consistently be assigned to a single fluctuating trajectory [2]'. This quote, taken from Udo Seifert's [3] 2008 review, nicely summarizes the basic ideas behind stochastic thermodynamics: for small systems, driven by external forces and in contact with a heat bath at a well-defined temperature, stochastic energetics [4] defines the exchanged work and heat along a single fluctuating trajectory and connects them to changes in the internal (system) energy by an energy balance analogous to the first law of thermodynamics. Additionally, providing a consistent definition of trajectory-wise entropy production gives rise to second-law-like relations and forms the basis for a 'stochastic thermodynamics' along individual fluctuating trajectories. In order to construct meaningful concepts of work, heat and entropy production for single trajectories, their definitions are based on the stochastic equations of motion modeling the physical system of interest. Because of this, they are valid even for systems that are prevented from equilibrating with the thermal environment by external driving forces (or other sources of non-equilibrium). In that way, the central notions of equilibrium thermodynamics, such as heat, work and entropy, are consistently extended to the non-equilibrium realm. In the (non-equilibrium) ensemble, the trajectory-wise quantities acquire distributions. General statements derived within stochastic thermodynamics typically refer to properties of these distributions, and are valid in the non-equilibrium regime even beyond the linear response. The extension of statistical mechanics and of exact thermodynamic statements to the non-equilibrium realm has been discussed from the early days of statistical mechanics more than 100 years ago. This debate culminated in the development of linear response

  11. Thermodynamic versus non-equilibrium stability of palmitic acid monolayers in calcium-enriched sea spray aerosol proxy systems.

    Science.gov (United States)

    Wellen Rudd, Bethany A; Vidalis, Andrew S; Allen, Heather C

    2018-04-16

    Of the major cations in seawater (Na+, Mg2+, Ca2+, K+), Ca2+ is found to be the most enriched in fine sea spray aerosols (SSA). In this work, we investigate the binding of Ca2+ to the carboxylic acid headgroup of palmitic acid (PA), a marine-abundant fatty acid, and the impact such binding has on the stability of PA monolayers in both equilibrium and non-equilibrium systems. A range of Ca2+ conditions from 10 μM to 300 mM was utilized to represent the relative concentration of Ca2+ in high and low relative humidity aerosol environments. The CO2- stretching modes of PA detected by surface-sensitive infrared reflection-absorption spectroscopy (IRRAS) reveal ionic binding motifs of the Ca2+ ion to the carboxylate group with varying degrees of hydration. Surface tensiometry was used to determine the thermodynamic equilibrium spreading pressure (ESP) of PA on the various aqueous CaCl2 subphases. Up to concentrations of 1 mM Ca2+, each system reached equilibrium, and Ca2+:PA surface complexation gave rise to a lower energy state revealed by elevated surface pressures relative to water. We show that PA films are not thermodynamically stable at marine aerosol-relevant Ca2+ concentrations ([Ca2+] ≥ 10 mM). IRRAS and vibrational sum frequency generation (VSFG) spectroscopy were used to investigate the surface presence of PA on high concentration Ca2+ aqueous subphases. Non-equilibrium relaxation (NER) experiments were also conducted and monitored by Brewster angle microscopy (BAM) to determine the effect of the Ca2+ ions on PA stability. At high surface pressures, the relaxation mechanisms of PA varied among the systems and were dependent on Ca2+ concentration.

  12. Advanced thermodynamics engineering

    CERN Document Server

    Annamalai, Kalyan; Jog, Milind A

    2011-01-01

    Thermolab Excel-Based Software for Thermodynamic Properties and Flame Temperatures of Fuels IntroductionImportance, Significance and LimitationsReview of ThermodynamicsMathematical BackgroundOverview of Microscopic/NanothermodynamicsSummaryAppendix: Stokes and Gauss Theorems First Law of ThermodynamicsZeroth LawFirst Law for a Closed SystemQuasi Equilibrium (QE) and Nonquasi-equilibrium (NQE) ProcessesEnthalpy and First LawAdiabatic Reversible Process for Ideal Gas with Constant Specific HeatsFirst Law for an Open SystemApplications of First Law for an Open SystemIntegral and Differential Form

  13. Friction-induced vibrations and self-organization mechanics and non-equilibrium thermodynamics of sliding contact

    CERN Document Server

    Nosonovsky, Michael

    2013-01-01

    Many scientists and engineers do not realize that, under certain conditions, friction can lead to the formation of new structures at the interface, including in situ tribofilms and various patterns. In turn, these structures-usually formed by destabilization of the stationary sliding regime-can lead to the reduction of friction and wear. Friction-Induced Vibrations and Self-Organization: Mechanics and Non-Equilibrium Thermodynamics of Sliding Contact combines the mechanical and thermodynamic methods in tribology, thus extending the field of mechanical friction-induced vibrations to non-mechanical instabilities and self-organization processes at the frictional interface. The book also relates friction-induced self-organization to novel biomimetic materials, such as self-lubricating, self-cleaning, and self-healing materials. Explore Friction from a Different Angle-as a Fundamental Force of Nature The book begins with an exploration of friction as a fundamental force of nature throughout the history of science....

  14. Towards the unified non-classical physics: account for quantum fluctuations in equilibrium thermodynamics via the effective temperature

    Directory of Open Access Journals (Sweden)

    Yu.G.Rudoy

    2005-01-01

    Full Text Available The concept of effective temperature (ET T*(T0, T is used in order to approximately "quantize" the thermodynamic functions of the dynamical object which is in the thermal equilibrium with thermal bath being at constant temperature T (T0=E0/kB, where E0 is the ground-state energy, kB - Boltzmann constant, is the characteristic ``quantum'' temperature of the system itself. On these grounds the extensive comparative investigation is carried out for the ``standard model'' of statistical mechanics - the one-dimensional harmonic oscillator (HO. Three well-known approaches are considered and their thermodynamic consequences thoroughly studied. These are: the exact quantum, or non-classical Planck-Einstein approach, intermediate, or semiclassical Bloch-Wigner approach and, finally, the pure classical, or Maxwell-Boltzmann approach.

  15. Particle creation and non-equilibrium thermodynamical prescription of dark fluids for universe bounded by an event horizon

    Science.gov (United States)

    Saha, Subhajit; Biswas, Atreyee; Chakraborty, Subenoy

    2015-03-01

    In the present work, flat FRW model of the universe is considered to be an isolated open thermodynamical system where non-equilibrium prescription has been studied using the mechanism of particle creation. In the perspective of recent observational evidences, the matter distribution in the universe is assumed to be dominated by dark matter and dark energy. The dark matter is chosen as dust while for dark energy, the following choices are considered: (i) Perfect fluid with constant equation of state and (ii) Holographic dark energy. In both the cases, the validity of generalized second law of thermodynamics (GSLT) which states that the total entropy of the fluid as well as that of the horizon should not decrease with the evolution of the universe, has been examined graphically for universe bounded by the event horizon. It is found that GSLT holds in both the cases with some restrictions on the interacting coupling parameter.

  16. Retention of phosphorous ions on natural and engineered waste pumice: Characterization, equilibrium, competing ions, regeneration, kinetic, equilibrium and thermodynamic study

    Energy Technology Data Exchange (ETDEWEB)

    Karimaian, Kamal Aldin [Department of Environmental Health Engineering, Faculty of Health, Kurdistan University of Medical Sciences, Sannandaj (Iran, Islamic Republic of); Amrane, Abdeltif [Ecole Nationale Supérieure de Chimie de Rennes, Université Rennes 1, CNRS, UMR 6226, Avenue du Général Leclerc, CS 50837, 35708 Rennes Cedex 7 (France); Kazemian, Hossein [Department of Chemical and Biochemical Engineering, Western University, London, ON, Canada N6A 5B9 (Canada); Panahi, Reza [Department of Biotechnology, Faculty of Chemical Engineering, Tarbiat Modares University, Tehran (Iran, Islamic Republic of); Zarrabi, Mansur, E-mail: mansor62@gmail.com [Department of Environmental Health Engineering, Faculty of Health, Alborz University of Medical Sciences, Karaj (Iran, Islamic Republic of)

    2013-11-01

    Natural and Mg{sup 2+} modified pumice were used for the removal of phosphorous. The adsorbents were characterized using XRF, XRD, SEM and FTIR instrumental techniques. In the optimal conditions, namely at equilibrium time (30 min), for a phosphorus concentration of 15 mg/L and pH 6, 69 and 97% phosphorus removals were achieved using 10 g/L of natural and modified pumice adsorbents, respectively. Maximum adsorption capacities were 11.88 and 17.71 mg/g by natural and modified pumice, respectively. Pseudo-second order kinetic model was the most relevant to describe the kinetic of phosphorus adsorption. External mass transfer coefficient decreased for increasing phosphorous concentration and film diffusion was found to be the rate-controlling step. Only a very low dissolution of the adsorbent was observed, leading to a low increase in conductivity and turbidity. Removal efficiency decreased for increasing ionic strength. It also decreased in the presence of competing ions; however modified pumice remained effective, since 67% of phosphorus was removed, versus only 17% for the natural pumice. The efficiency of the modified pumice was confirmed during the regeneration tests, since 96% regeneration yield was obtained after 510 min experiment, while only 22% was observed for the raw pumice.

  17. Abnormal grain growth: a non-equilibrium thermodynamic model for multi-grain binary systems

    Czech Academy of Sciences Publication Activity Database

    Svoboda, Jiří; Fischer, F. D.

    2014-01-01

    Roč. 22, č. 1 (2014), Art . No. 015013 ISSN 0965-0393 Institutional support: RVO:68081723 Keywords : grain boundary segregation * abnormal grain growth * theory * modelling * solute drag Subject RIV: BJ - Thermodynamics Impact factor: 2.167, year: 2014

  18. Assessing the Conceptual Understanding about Heat and Thermodynamics at Undergraduate Level

    Science.gov (United States)

    Kulkarni, Vasudeo Digambar; Tambade, Popat Savaleram

    2013-01-01

    In this study, a Thermodynamic Concept Test (TCT) was designed to assess student's conceptual understanding heat and thermodynamics at undergraduate level. The different statistical tests such as item difficulty index, item discrimination index, point biserial coefficient were used for assessing TCT. For each item of the test these indices were…

  19. Computing Equilibrium Chemical Compositions

    Science.gov (United States)

    Mcbride, Bonnie J.; Gordon, Sanford

    1995-01-01

    Chemical Equilibrium With Transport Properties, 1993 (CET93) computer program provides data on chemical-equilibrium compositions. Aids calculation of thermodynamic properties of chemical systems. Information essential in design and analysis of such equipment as compressors, turbines, nozzles, engines, shock tubes, heat exchangers, and chemical-processing equipment. CET93/PC is version of CET93 specifically designed to run within 640K memory limit of MS-DOS operating system. CET93/PC written in FORTRAN.

  20. Heat transfer

    International Nuclear Information System (INIS)

    Saad, M.A.

    1985-01-01

    Heat transfer takes place between material systems as a result of a temperature difference. The transmission process involves energy conversions governed by the first and second laws of thermodynamics. The heat transfer proceeds from a high-temperature region to a low-temperature region, and because of the finite thermal potential, there is an increase in entropy. Thermodynamics, however, is concerned with equilibrium states, which includes thermal equilibrium, irrespective of the time necessary to attain these equilibrium states. But heat transfer is a result of thermal nonequilibrium conditions, therefore, the laws of thermodynamics alone cannot describe completely the heat transfer process. In practice, most engineering problems are concerned with the rate of heat transfer rather than the quantity of heat being transferred. Resort then is directed to the particular laws governing the transfer of heat. There are three distinct modes of heat transfer: conduction, convection, and radiation. Although these modes are discussed separately, all three types may occur simultaneously

  1. Removal of ibuprofen, naproxen and carbamazepine in aqueous solution onto natural clay: equilibrium, kinetics, and thermodynamic study

    Science.gov (United States)

    Khazri, Hassen; Ghorbel-Abid, Ibtissem; Kalfat, Rafik; Trabelsi-Ayadi, Malika

    2017-10-01

    This study aimed to describe the adsorption of three pharmaceuticals compounds (ibuprofen, naproxen and carbamazepine) onto natural clay on the basis of equilibrium parameters such as a function of time, effect of pH, varying of the concentration and the temperature. Adsorption kinetic data were modeled using the Lagergren's first-order and the pseudo-second-order kinetic equations. The kinetic results of adsorption are described better using the pseudo-second order model. The isotherm results were tested in the Langmuir, Freundlich and Dubinin-Radushkevich models. The thermodynamic parameters obtained indicate that the adsorption of pharmaceuticals on the clay is a spontaneous and endothermic process.

  2. The Use of VMD Data/Model to Test Different Thermodynamic Models for Vapour-Liquid Equilibrium

    DEFF Research Database (Denmark)

    Abildskov, Jens; Azquierdo-Gil, M.A.; Jonsson, Gunnar Eigil

    2004-01-01

    Vacuum membrane distillation (VMD) has been studied as a separation process to remove volatile organic compounds from aqueous streams. A vapour pressure difference across a microporous hydrophobic membrane is the driving force for the mass transport through the membrane pores (this transport take...... place in vapour phase). The vapour pressure difference is obtained in VMD processes by applying a vacuum on one side of the membrane. The membrane acts as a mere support for the liquid-vapour equilibrium. The evaporation of the liquid stream takes place on the feed side of the membrane...... values; membrane type: PTFE/PP/PVDF; feed flow rate; feed temperature. A comparison is made between different thermodynamic models for calculating the vapour-liquid equilibrium at the membrane/pore interface. (C) 2004 Elsevier B.V. All rights reserved....

  3. Catalytic supercritical water gasification of primary paper sludge using a homogeneous and heterogeneous catalyst: Experimental vs thermodynamic equilibrium results.

    Science.gov (United States)

    Louw, Jeanne; Schwarz, Cara E; Burger, Andries J

    2016-02-01

    H2, CH4, CO and CO2 yields were measured during supercritical water gasification (SCWG) of primary paper waste sludge (PWS) at 450°C. Comparing these yields with calculated thermodynamic equilibrium values offer an improved understanding of conditions required to produce near-equilibrium yields. Experiments were conducted at different catalyst loads (0-1g/gPWS) and different reaction times (15-120min) in a batch reactor, using either K2CO3 or Ni/Al2O3-SiO2 as catalyst. K2CO3 up to 1g/gPWS increased the H2 yield significantly to 7.5mol/kgPWS. However, these yields and composition were far from equilibrium values, with carbon efficiency (CE) and energy recovery (ER) of only 29% and 20%, respectively. Addition of 0.5-1g/gPWS Ni/Al2O3-SiO2 resulted in high H2 and CH4 yields (6.8 and 14.8mol/kgPWS), CE of 84-90%, ER of 83% and a gas composition relatively close to the equilibrium values (at hold times of 60-120min). Copyright © 2015 Elsevier Ltd. All rights reserved.

  4. Geometric Theory of Heat from Souriau Lie Groups Thermodynamics and Koszul Hessian Geometry: Applications in Information Geometry for Exponential Families

    Directory of Open Access Journals (Sweden)

    Frédéric Barbaresco

    2016-11-01

    Full Text Available We introduce the symplectic structure of information geometry based on Souriau’s Lie group thermodynamics model, with a covariant definition of Gibbs equilibrium via invariances through co-adjoint action of a group on its moment space, defining physical observables like energy, heat, and moment as pure geometrical objects. Using geometric Planck temperature of Souriau model and symplectic cocycle notion, the Fisher metric is identified as a Souriau geometric heat capacity. The Souriau model is based on affine representation of Lie group and Lie algebra that we compare with Koszul works on G/K homogeneous space and bijective correspondence between the set of G-invariant flat connections on G/K and the set of affine representations of the Lie algebra of G. In the framework of Lie group thermodynamics, an Euler-Poincaré equation is elaborated with respect to thermodynamic variables, and a new variational principal for thermodynamics is built through an invariant Poincaré-Cartan-Souriau integral. The Souriau-Fisher metric is linked to KKS (Kostant–Kirillov–Souriau 2-form that associates a canonical homogeneous symplectic manifold to the co-adjoint orbits. We apply this model in the framework of information geometry for the action of an affine group for exponential families, and provide some illustrations of use cases for multivariate gaussian densities. Information geometry is presented in the context of the seminal work of Fréchet and his Clairaut-Legendre equation. The Souriau model of statistical physics is validated as compatible with the Balian gauge model of thermodynamics. We recall the precursor work of Casalis on affine group invariance for natural exponential families.

  5. DEMONIC programming: a computational language for single-particle equilibrium thermodynamics, and its formal semantics.

    Directory of Open Access Journals (Sweden)

    Samson Abramsky

    2015-11-01

    Full Text Available Maxwell's Demon, 'a being whose faculties are so sharpened that he can follow every molecule in its course', has been the centre of much debate about its abilities to violate the second law of thermodynamics. Landauer's hypothesis, that the Demon must erase its memory and incur a thermodynamic cost, has become the standard response to Maxwell's dilemma, and its implications for the thermodynamics of computation reach into many areas of quantum and classical computing. It remains, however, still a hypothesis. Debate has often centred around simple toy models of a single particle in a box. Despite their simplicity, the ability of these systems to accurately represent thermodynamics (specifically to satisfy the second law and whether or not they display Landauer Erasure, has been a matter of ongoing argument. The recent Norton-Ladyman controversy is one such example. In this paper we introduce a programming language to describe these simple thermodynamic processes, and give a formal operational semantics and program logic as a basis for formal reasoning about thermodynamic systems. We formalise the basic single-particle operations as statements in the language, and then show that the second law must be satisfied by any composition of these basic operations. This is done by finding a computational invariant of the system. We show, furthermore, that this invariant requires an erasure cost to exist within the system, equal to kTln2 for a bit of information: Landauer Erasure becomes a theorem of the formal system. The Norton-Ladyman controversy can therefore be resolved in a rigorous fashion, and moreover the formalism we introduce gives a set of reasoning tools for further analysis of Landauer erasure, which are provably consistent with the second law of thermodynamics.

  6. A combined thermodynamic cycle used for waste heat recovery of internal combustion engine

    International Nuclear Information System (INIS)

    He, Maogang; Zhang, Xinxin; Zeng, Ke; Gao, Ke

    2011-01-01

    In this paper, we present a steady-state experiment, energy balance and exergy analysis of exhaust gas in order to improve the recovery of the waste heat of an internal combustion engine (ICE). Considering the different characteristics of the waste heat of exhaust gas, cooling water, and lubricant, a combined thermodynamic cycle for waste heat recovery of ICE is proposed. This combined thermodynamic cycle consists of two cycles: the organic Rankine cycle (ORC), for recovering the waste heat of lubricant and high-temperature exhaust gas, and the Kalina cycle, for recovering the waste heat of low-temperature cooling water. Based on Peng–Robinson (PR) equation of state (EOS), the thermodynamic parameters in the high-temperature ORC were calculated and determined via an in-house computer program. Suitable working fluids used in high-temperature ORC are proposed and the performance of this combined thermodynamic cycle is analyzed. Compared with the traditional cycle configuration, more waste heat can be recovered by the combined cycle introduced in this paper. -- Highlights: ► We study the energy balance of fuel in internal combustion engine. ► Heat recovery effect of exhaust gas is good when ICE is at a high-load condition. ► We propose a new combined thermodynamic cycle for waste heat of ICE. ► The combined cycle has a higher recovery efficiency than previous configurations.

  7. Thermodynamical Interactions: Subtleties of Heat and Work Concepts

    Science.gov (United States)

    Anacleto, Joaquim; Anacleto, Joaquim Alberto C.

    2008-01-01

    This paper focuses on the determination of the final equilibrium state when two ideal gases, isolated from the exterior and starting from preset initial conditions, interact with each other through a piston. Depending on the piston properties, different processes take place and also different sets of equilibrium conditions must be satisfied. Three…

  8. Experimental determination and thermodynamic modeling of phase equilibrium and protein partitioning in aqueous two-phase systems containing biodegradable salts

    International Nuclear Information System (INIS)

    Perez, Brenda; Malpiedi, Luciana Pellegrini; Tubío, Gisela; Nerli, Bibiana; Alcântara Pessôa Filho, Pedro de

    2013-01-01

    Highlights: ► Binodal data of systems (water + polyethyleneglycol + sodium) succinate are reported. ► Pitzer model describes the phase equilibrium of systems formed by polyethyleneglycol and biodegradable salts satisfactorily. ► This simple thermodynamic framework was able to predict the partitioning behaviour of model proteins acceptably well. - Abstract: Phase diagrams of sustainable aqueous two-phase systems (ATPSs) formed by polyethyleneglycols (PEGs) of different average molar masses (4000, 6000, and 8000) and sodium succinate are reported in this work. Partition coefficients (Kps) of seven model proteins: bovine serum albumin, catalase, beta-lactoglobulin, alpha-amylase, lysozyme, pepsin, urease and trypsin were experimentally determined in these systems and in ATPSs formed by the former PEGs and other biodegradable sodium salts: citrate and tartrate. An extension of Pitzer model comprising long and short-range term contributions to the excess Gibbs free energy was used to describe the (liquid + liquid) equilibrium. Comparison between experimental and calculated tie line data showed mean deviations always lower than 3%, thus indicating a good correlation. The partition coefficients were modeled by using the same thermodynamic approach. Predicted and experimental partition coefficients correlated quite successfully. Mean deviations were found to be lower than the experimental uncertainty for most of the assayed proteins.

  9. Thermodynamics of the Heat-Flux Avalanches at the First-Order Magnetic Transition in Magnetocaloric Materials

    Science.gov (United States)

    Piazzi, Marco; Bennati, Cecilia; Basso, Vittorio

    2017-10-01

    We investigate the kinetics of first-order magnetic phase transitions by measuring and modeling the heat-flux avalanches corresponding to the irreversible motion of the phase-boundary interface separating the coexisting low- and high-temperature stable magnetic phases. By means of out-of-equilibrium thermodynamics, we encompass the damping mechanisms of the boundary motion in a phenomenological parameter αs. By analyzing the time behavior of the heat-flux signals measured on La (Fe -Mn -Si )13-H magnetocaloric compounds through Peltier calorimetry temperature scans performed at low rates, we relate the linear rise of the individual avalanches to the intrinsic-damping parameter αs.

  10. Partition functions. I. Improved partition functions and thermodynamic quantities for normal, equilibrium, and ortho and para molecular hydrogen

    Science.gov (United States)

    Popovas, A.; Jørgensen, U. G.

    2016-11-01

    Context. Hydrogen is the most abundant molecule in the Universe. Its thermodynamic quantities dominate the physical conditions in molecular clouds, protoplanetary disks, etc. It is also of high interest in plasma physics. Therefore thermodynamic data for molecular hydrogen have to be as accurate as possible in a wide temperature range. Aims: We here rigorously show the shortcomings of various simplifications that are used to calculate the total internal partition function. These shortcomings can lead to errors of up to 40 percent or more in the estimated partition function. These errors carry on to calculations of thermodynamic quantities. Therefore a more complicated approach has to be taken. Methods: Seven possible simplifications of various complexity are described, together with advantages and disadvantages of direct summation of experimental values. These were compared to what we consider the most accurate and most complete treatment (case 8). Dunham coefficients were determined from experimental and theoretical energy levels of a number of electronically excited states of H2. Both equilibrium and normal hydrogen was taken into consideration. Results: Various shortcomings in existing calculations are demonstrated, and the reasons for them are explained. New partition functions for equilibrium, normal, and ortho and para hydrogen are calculated and thermodynamic quantities are reported for the temperature range 1-20 000 K. Our results are compared to previous estimates in the literature. The calculations are not limited to the ground electronic state, but include all bound and quasi-bound levels of excited electronic states. Dunham coefficients of these states of H2 are also reported. Conclusions: For most of the relevant astrophysical cases it is strongly advised to avoid using simplifications, such as a harmonic oscillator and rigid rotor or ad hoc summation limits of the eigenstates to estimate accurate partition functions and to be particularly careful when

  11. Pyridine sorption from aqueous solution by rice husk ash (RHA) and granular activated carbon (GAC): Parametric, kinetic, equilibrium and thermodynamic aspects

    International Nuclear Information System (INIS)

    Lataye, D.H.; Mishra, I.M.; Mall, I.D.

    2008-01-01

    The present study deals with the adsorption of pyridine (Py) from synthetic aqueous solutions by rice husk ash (RHA) and commercial grade granular activated carbon (GAC) and reports on the kinetic, equilibrium and thermodynamic aspects of Py sorption. Batch sorption studies were carried out to evaluate the effect of various parameters, such as adsorbent dose (m), initial pH (pH 0 ), contact time (t), initial concentration (C 0 ) and temperature (T) on the removal of Py. The maximum removal of Py is found to be ∼96% and ∼97% at lower concentrations ( -3 ) and ∼79.5% and ∼84% at higher concentrations (600 mg dm -3 ) using 50 kg m -3 and 30 kg m -3 of RHA and GAC dosage, respectively, at 30 ± 1 o C. Adsorption of Py is found to be endothermic in nature and the equilibrium data can be adequately represented by Toth and Redlich-Peterson isotherm equations. Py can be recovered from the spent adsorbents by using acidic water and 0.1 N H 2 SO 4 . The overall adsorption of Py on RHA and GAC is found to be in the order of GAC > RHA. Comparative assessment of adsorbents used by various investigators available in literature showed the effectiveness of BFA and RHA over other adsorbents. Spent RHA can simply be filtered, dried and used in the boiler furnaces/incinerators. Thus, its heating value can be recovered

  12. The thermodynamic quantity minimized in steady heat and fluid flow processes: A control volume approach

    International Nuclear Information System (INIS)

    Sahin, Ahmet Z.

    2012-01-01

    Highlights: ► The optimality in both heat and fluid flow systems has been investigated. ► A new thermodynamic property has been introduced. ► The second law of thermodynamics was extended to present the temheat balance that included the temheat destruction. ► The principle of temheat destruction minimization was introduced. ► It is shown that the rate of total temheat destruction is minimized in steady heat conduction and fluid flow problems. - Abstract: Heat transfer and fluid flow processes exhibit similarities as they occur naturally and are governed by the same type of differential equations. Natural phenomena occur always in an optimum way. In this paper, the natural optimality that exists in the heat transfer and fluid flow processes is investigated. In this regard, heat transfer and fluid flow problems are treated as optimization problems. We discovered a thermodynamic quantity that is optimized during the steady heat transfer and fluid flow processes. Consequently, a new thermodynamic property, the so called temheat, is introduced using the second law of thermodynamics and the definition of entropy. It is shown, through several examples, that overall temheat destruction is always minimized in steady heat and fluid flow processes. The principle of temheat destruction minimization that is based on the temheat balance equation provides a better insight to understand how the natural flow processes take place.

  13. Non-local thermodynamic equilibrium effects on isentropic coefficient in argon and helium thermal plasmas

    International Nuclear Information System (INIS)

    Sharma, Rohit; Singh, Kuldip

    2014-01-01

    In the present work, two cases of thermal plasma have been considered; the ground state plasma in which all the atoms and ions are assumed to be in the ground state and the excited state plasma in which atoms and ions are distributed over various possible excited states. The variation of Zγ, frozen isentropic coefficient and the isentropic coefficient with degree of ionization and non-equilibrium parameter θ(= T e /T h ) has been investigated for the ground and excited state helium and argon plasmas at pressures 1 atm, 10 atm, and 100 atm in the temperature range from 6000 K to 60 000 K. For a given value of non-equilibrium parameter, the relationship of Zγ with degree of ionization does not show any dependence on electronically excited states in helium plasma whereas in case of argon plasma this dependence is not appreciable till degree of ionization approaches 2. The minima of frozen isentropic coefficient shifts toward lower temperature with increase of non-equilibrium parameter for both the helium and argon plasmas. The lowering of non-equilibrium parameter decreases the frozen isentropic coefficient more emphatically in helium plasma at high pressures in comparison to argon plasma. The increase of pressure slightly reduces the ionization range over which isentropic coefficient almost remains constant and it does not affect appreciably the dependence of isentropic coefficient on non-equilibrium parameter

  14. Thermodynamics

    CERN Document Server

    Fermi, Enrico

    1956-01-01

    Indisputably, this is a modern classic of science. Based on a course of lectures delivered by the author at Columbia University, the text is elementary in treatment and remarkable for its clarity and organization. Although it is assumed that the reader is familiar with the fundamental facts of thermometry and calorimetry, no advanced mathematics beyond calculus is assumed.Partial contents: thermodynamic systems, the first law of thermodynamics (application, adiabatic transformations), the second law of thermodynamics (Carnot cycle, absolute thermodynamic temperature, thermal engines), the entr

  15. Thermodynamic investigation of the phase equilibrium boundary between TiO2 rutile and its α-PbO2-type high-pressure polymorph

    Science.gov (United States)

    Kojitani, Hiroshi; Yamazaki, Monami; Kojima, Meiko; Inaguma, Yoshiyuki; Mori, Daisuke; Akaogi, Masaki

    2018-06-01

    Heat capacity (C P) of rutile and α-PbO2 type TiO2 (TiO2-II) were measured by the differential scanning calorimetry and thermal relaxation method. Using the results, standard entropies at 1 atm and 298.15 K of rutile and TiO2-II were determined to be 50.04(4) and 46.54(2) J/mol K, respectively. Furthermore, thermal expansivity (α) determined by high-temperature X-ray diffraction measurement and mode Grüneisen parameters obtained by high-pressure Raman spectroscopy suggested the thermal Grüneisen parameter (γ th) for TiO2-II of 1.7(1). By applying the obtained low-temperature C P and γ th, the measured C P and α data of TiO2-II were extrapolated to higher temperature region using a lattice vibrational model calculation, as well as rutile. Internally consistent thermodynamic data sets of both rutile and TiO2-II assessed in this study were used to thermodynamically calculate the rutile‒TiO2-II phase equilibrium boundary. The most plausible boundary was obtained to be P (GPa) = 0.0074T (K) - 1.7. Our boundary suggests that the crystal growth of TiO2-II observed below 5.5 GPa and 900 K in previous studies advanced in its stability field. The phase boundary calculation also suggested small, exothermic phase transition enthalpy from rutile to TiO2-II at 1 atm and 298.15 K of - 0.5 to - 1.1 kJ/mol. This implies that the thermodynamic stability of rutile at 1 atm above room temperature is due to larger contribution of entropy term.

  16. Self-assembled materials and supramolecular chemistry within microfluidic environments: from common thermodynamic states to non-equilibrium structures.

    Science.gov (United States)

    Sevim, S; Sorrenti, A; Franco, C; Furukawa, S; Pané, S; deMello, A J; Puigmartí-Luis, J

    2018-05-01

    Self-assembly is a crucial component in the bottom-up fabrication of hierarchical supramolecular structures and advanced functional materials. Control has traditionally relied on the use of encoded building blocks bearing suitable moieties for recognition and interaction, with targeting of the thermodynamic equilibrium state. On the other hand, nature leverages the control of reaction-diffusion processes to create hierarchically organized materials with surprisingly complex biological functions. Indeed, under non-equilibrium conditions (kinetic control), the spatio-temporal command of chemical gradients and reactant mixing during self-assembly (the creation of non-uniform chemical environments for example) can strongly affect the outcome of the self-assembly process. This directly enables a precise control over material properties and functions. In this tutorial review, we show how the unique physical conditions offered by microfluidic technologies can be advantageously used to control the self-assembly of materials and of supramolecular aggregates in solution, making possible the isolation of intermediate states and unprecedented non-equilibrium structures, as well as the emergence of novel functions. Selected examples from the literature will be used to confirm that microfluidic devices are an invaluable toolbox technology for unveiling, understanding and steering self-assembly pathways to desired structures, properties and functions, as well as advanced processing tools for device fabrication and integration.

  17. Understanding of surface pit formation mechanism of GaN grown in MOCVD based on local thermodynamic equilibrium assumption

    International Nuclear Information System (INIS)

    Gao Zhi-Yuan; Xue Xiao-Wei; Li Jiang-Jiang; Wang Xun; Xing Yan-Hui; Cui Bi-Feng; Zou De-Shu

    2016-01-01

    Frank’s theory describes that a screw dislocation will produce a pit on the surface, and has been evidenced in many material systems including GaN. However, the size of the pit calculated from the theory deviates significantly from experimental result. Through a careful observation of the variations of surface pits and local surface morphology with growing temperature and V/III ratio for c -plane GaN, we believe that Frank’s model is valid only in a small local surface area where thermodynamic equilibrium state can be assumed to stay the same. If the kinetic process is too vigorous or too slow to reach a balance, the local equilibrium range will be too small for the center and edge of the screw dislocation spiral to be kept in the same equilibrium state. When the curvature at the center of the dislocation core reaches the critical value 1/ r 0 , at the edge of the spiral, the accelerating rate of the curvature may not fall to zero, so the pit cannot reach a stationary shape and will keep enlarging under the control of minimization of surface energy to result in a large-sized surface pit. (paper)

  18. Understanding of surface pit formation mechanism of GaN grown in MOCVD based on local thermodynamic equilibrium assumption

    Science.gov (United States)

    Zhi-Yuan, Gao; Xiao-Wei, Xue; Jiang-Jiang, Li; Xun, Wang; Yan-Hui, Xing; Bi-Feng, Cui; De-Shu, Zou

    2016-06-01

    Frank’s theory describes that a screw dislocation will produce a pit on the surface, and has been evidenced in many material systems including GaN. However, the size of the pit calculated from the theory deviates significantly from experimental result. Through a careful observation of the variations of surface pits and local surface morphology with growing temperature and V/III ratio for c-plane GaN, we believe that Frank’s model is valid only in a small local surface area where thermodynamic equilibrium state can be assumed to stay the same. If the kinetic process is too vigorous or too slow to reach a balance, the local equilibrium range will be too small for the center and edge of the screw dislocation spiral to be kept in the same equilibrium state. When the curvature at the center of the dislocation core reaches the critical value 1/r 0, at the edge of the spiral, the accelerating rate of the curvature may not fall to zero, so the pit cannot reach a stationary shape and will keep enlarging under the control of minimization of surface energy to result in a large-sized surface pit. Project supported by the National Natural Science Foundation of China (Grant Nos. 11204009 and 61204011) and the Beijing Municipal Natural Science Foundation, China (Grant No. 4142005).

  19. Adsorption of uranium(VI) from sulphate solutions using Amberlite IRA-402 resin: Equilibrium, kinetics and thermodynamics study

    International Nuclear Information System (INIS)

    Solgy, Mostafa; Taghizadeh, Majid; Ghoddocynejad, Davood

    2015-01-01

    Highlights: • Adsorption of uranium from sulphate solutions by an anion exchange resin. • The effects of pH, contact time and adsorbent dosage were investigated. • The adsorption equilibrium is well described by the Freundlich isotherm model. • The adsorption kinetics can be predicted by the pseudo second-order model. • The adsorption is a physical, spontaneous and endothermic process. - Abstract: In the present study, adsorption of uranium from sulphate solutions was evaluated using Amberlite IRA-402 resin. The variation of adsorption process was investigated in batch sorption mode. The parameters studied were pH, contact time and adsorbent dosage. Langmuir and Freundlich isotherm models were used in order to present a mathematical description of the equilibrium data at three different temperatures (25 °C, 35 °C and 45 °C). The final results confirmed that the equilibrium data tend to follow Freundlich isotherm model. The maximum adsorption capacity of Amberlite IRA-402 for uranium(VI) was evaluated to be 213 mg/g for the Langmuir model at 25 °C. The adsorption of uranium on the mentioned anion exchange resin was found to follow the pseudo-second order kinetic model, indicating that chemical adsorption was the rate limiting-step. The values of thermodynamic parameters proved that adsorption process of uranium onto Amberlite IRA-402 resin could be considered endothermic (ΔH > 0) and spontaneous (ΔG < 0)

  20. New insights for mesospheric OH: multi-quantum vibrational relaxation as a driver for non-local thermodynamic equilibrium

    Directory of Open Access Journals (Sweden)

    K. S. Kalogerakis

    2018-01-01

    Full Text Available The question of whether mesospheric OH(v rotational population distributions are in equilibrium with the local kinetic temperature has been debated over several decades. Despite several indications for the existence of non-equilibrium effects, the general consensus has been that emissions originating from low rotational levels are thermalized. Sky spectra simultaneously observing several vibrational levels demonstrated reproducible trends in the extracted OH(v rotational temperatures as a function of vibrational excitation. Laboratory experiments provided information on rotational energy transfer and direct evidence for fast multi-quantum OH(high-v vibrational relaxation by O atoms. We examine the relationship of the new relaxation pathways with the behavior exhibited by OH(v rotational population distributions. Rapid OH(high-v + O multi-quantum vibrational relaxation connects high and low vibrational levels and enhances the hot tail of the OH(low-v rotational distributions. The effective rotational temperatures of mesospheric OH(v are found to deviate from local thermodynamic equilibrium for all observed vibrational levels. Dedicated to Tom G. Slanger in celebration of his 5 decades of research in aeronomy.

  1. Equilibrium, Kinetic and Thermodynamic Study of Removal of Eosin Yellow from Aqueous Solution Using Teak Leaf Litter Powder.

    Science.gov (United States)

    Oyelude, Emmanuel O; Awudza, Johannes A M; Twumasi, Sylvester K

    2017-09-22

    Low-cost teak leaf litter powder (TLLP) was prepared as possible substitute for activated carbon. The feasibility of using the adsorbent to remove eosin yellow (EY) dye from aqueous solution was investigated through equilibrium adsorption, kinetic and thermodynamic studies. The removal of dye from aqueous solution was feasible but influenced by temperature, pH, adsorbent dosage and contact time. Variation in the initial concentration of dye did not influence the equilibrium contact time. Optimum adsorption of dye occurred at low adsorbent dosages, alkaline pH and high temperatures. Langmuir isotherm model best fit the equilibrium adsorption data and the maximum monolayer capacity of the adsorbent was 31.64 mg g -1 at 303 K. The adsorption process was best described by pseudo-second order kinetic model at 303 K. Boundary layer diffusion played a key role in the adsorption process. The mechanism of uptake of EY by TLLP was controlled by both liquid film diffusion and intraparticle diffusion. The values of mean adsorption free energy, E (7.91 kJ mol -1 ), and standard enthalpy, ΔH° (+13.34 kJ mol -1 ), suggest physical adsorption. The adsorption process was endothermic and spontaneous. Teak leaf litter powder is a promising low-cost adsorbent for treating wastewaters containing eosin yellow.

  2. Absence of local thermal equilibrium in two models of heat conduction

    OpenAIRE

    Dhar, Abhishek; Dhar, Deepak

    1998-01-01

    A crucial assumption in the conventional description of thermal conduction is the existence of local thermal equilibrium. We test this assumption in two simple models of heat conduction. Our first model is a linear chain of planar spins with nearest neighbour couplings, and the second model is that of a Lorentz gas. We look at the steady state of the system when the two ends are connected to heat baths at temperatures T1 and T2. If T1=T2, the system reaches thermal equilibrium. If T1 is not e...

  3. Quantum thermodynamic cycles and quantum heat engines. II.

    Science.gov (United States)

    Quan, H T

    2009-04-01

    We study the quantum-mechanical generalization of force or pressure, and then we extend the classical thermodynamic isobaric process to quantum-mechanical systems. Based on these efforts, we are able to study the quantum version of thermodynamic cycles that consist of quantum isobaric processes, such as the quantum Brayton cycle and quantum Diesel cycle. We also consider the implementation of the quantum Brayton cycle and quantum Diesel cycle with some model systems, such as single particle in a one-dimensional box and single-mode radiation field in a cavity. These studies lay the microscopic (quantum-mechanical) foundation for Szilard-Zurek single-molecule engine.

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

    Directory of Open Access Journals (Sweden)

    PLATT G. M.

    1999-01-01

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

  5. Statistical thermodynamics of association colloids : the equilibrium structure of micelles, vesicles, and bilayer membranes

    NARCIS (Netherlands)

    Leermakers, F.A.M.

    1988-01-01

    The aim of the present study was to unravel the general equilibrium physical properties of lipid bilayer membranes. We consider four major questions:
    1. What determines the morphology of the association colloids (micelles, membranes, vesicles) in general?
    2. Do the

  6. Nonlocal effects in nonisothermal hydrodynamics from the perspective of beyond-equilibrium thermodynamics

    OpenAIRE

    Hütter, Markus; Brader, Joseph M.

    2009-01-01

    We examine the origins of nonlocality in a nonisothermal hydrodynamic formulation of a one-component fluid of particles that exhibit long-range correlations, e.g., due to a spherically symmetric, long-range interaction potential. In order to furnish the continuum modeling with physical understanding of the microscopic interactions and dynamics, we make use of systematic coarse graining from the microscopic to the continuum level. We thus arrive at a thermodynamically admissible and closed set...

  7. Thermodynamic optimization for cryogenic systems with a finite number of heat intercepts

    International Nuclear Information System (INIS)

    Bisio, G.

    1989-01-01

    It has been already shown that in cryogenic plants it is very useful to apply thermodynamic optimization, either with a continuous variation of the heat transfer rate through the insulation or with the spatial positioning of discrete heat exchangers in the same insulation. The aim of this paper is to study the thermodynamic optimization by the variation of the heat transfer rate in a finite number of points through insulation for one-dimensional materials in series, whose equivalent conductivity is a function of temperature. For this purpose the results of some researches by the author, in the field of generalized thermodynamics, for the properties of some functions and in particular of the rate of entropy production, regarding one-dimensional heat transfer, are utilized

  8. Beyond heat baths II: framework for generalized thermodynamic resource theories

    Science.gov (United States)

    Yunger Halpern, Nicole

    2018-03-01

    Thermodynamics, which describes vast systems, has been reconciled with small scales, relevant to single-molecule experiments, in resource theories. Resource theories have been used to model exchanges of energy and information. Recently, particle exchanges were modeled; and an umbrella family of thermodynamic resource theories was proposed to model diverse baths, interactions, and free energies. This paper motivates and details the family’s structure and prospective applications. How to model electrochemical, gravitational, magnetic, and other thermodynamic systems is explained. Szilárd’s engine and Landauer’s Principle are generalized, as resourcefulness is shown to be convertible not only between information and gravitational energy, but also among diverse degrees of freedom. Extensive variables are associated with quantum operators that might fail to commute, introducing extra nonclassicality into thermodynamic resource theories. An early version of this paper partially motivated the later development of noncommutative thermalization. This generalization expands the theories’ potential for modeling realistic systems with which small-scale statistical mechanics might be tested experimentally.

  9. Aluminium fumarate and CPO-27(Ni) MOFs: Characterization and thermodynamic analysis for adsorption heat pump applications

    International Nuclear Information System (INIS)

    Elsayed, Eman; AL-Dadah, Raya; Mahmoud, Saad; Elsayed, Ahmed; Anderson, Paul A.

    2016-01-01

    Highlights: • CPO-27(Ni) and aluminium fumarate were investigated for adsorption heating, cooling and desalination applications. • Both MOFs have high potential in adsorption applications. • The optimum desorption temperature for the CPO-27(Ni) is higher than 90 °C, and for aluminium fumarate, it is 55–70 °C. • CPO-27(Ni) outperforms aluminium fumarate at low evaporation temperature (5 °C). • Aluminium fumarate outperforms CPO-27(Ni) at high evaporation temperature (20 °C). - Abstract: Metal-organic framework (MOF) materials are new porous materials with high surface area, pore size and volume, and tunable pore geometry thus providing high adsorption capacity. Currently, limited MOF materials with high water adsorption capabilities and hydrothermal stability are available on a large scale. Two MOF materials, namely CPO-27(Ni) and aluminium fumarate, have been identified to have a high hydrothermal stability, high water uptake of 0.47 g_H_2_O_.g_a_d_s"−"1 and 0.53 g_H_2_O_.g_a_d_s"−"1 at a relative pressure of 0.9 and are commercially available. This work aims to measure the water adsorption characteristics of these two MOF materials in terms of isotherms, kinetics and cyclic stability. Also the thermodynamic cycle performance of such materials based on their equilibrium adsorption data was investigated under different operating conditions for various adsorption applications such as heating, cooling and water desalination. Results showed that the CPO-27(Ni)/water pair outperformed the aluminium fumarate/water pair at low evaporation temperatures (5 °C) and high desorption temperatures (≥90 °C), while the aluminium fumarate/water pair was more suitable for applications requiring high evaporation temperature (20 °C) and/or low desorption temperature (70 °C).

  10. A numerical study of EGS heat extraction process based on a thermal non-equilibrium model for heat transfer in subsurface porous heat reservoir

    Science.gov (United States)

    Chen, Jiliang; Jiang, Fangming

    2016-02-01

    With a previously developed numerical model, we perform a detailed study of the heat extraction process in enhanced or engineered geothermal system (EGS). This model takes the EGS subsurface heat reservoir as an equivalent porous medium while it considers local thermal non-equilibrium between the rock matrix and the fluid flowing in the fractured rock mass. The application of local thermal non-equilibrium model highlights the temperature-difference heat exchange process occurring in EGS reservoirs, enabling a better understanding of the involved heat extraction process. The simulation results unravel the mechanism of preferential flow or short-circuit flow forming in homogeneously fractured reservoirs of different permeability values. EGS performance, e.g. production temperature and lifetime, is found to be tightly related to the flow pattern in the reservoir. Thermal compensation from rocks surrounding the reservoir contributes little heat to the heat transmission fluid if the operation time of an EGS is shorter than 15 years. We find as well the local thermal equilibrium model generally overestimates EGS performance and for an EGS with better heat exchange conditions in the heat reservoir, the heat extraction process acts more like the local thermal equilibrium process.

  11. Thermodynamic database of multi-component Mg alloys and its application to solidification and heat treatment

    Directory of Open Access Journals (Sweden)

    Guanglong Xu

    2016-12-01

    Full Text Available An overview about one thermodynamic database of multi-component Mg alloys is given in this work. This thermodynamic database includes thermodynamic descriptions for 145 binary systems and 48 ternary systems in 23-component (Mg–Ag–Al–Ca–Ce–Cu–Fe–Gd–K–La–Li–Mn–Na–Nd–Ni–Pr–Si–Sn–Sr–Th–Y–Zn–Zr system. First, the major computational and experimental tools to establish the thermodynamic database of Mg alloys are briefly described. Subsequently, among the investigated binary and ternary systems, representative binary and ternary systems are shown to demonstrate the major feature of the database. Finally, application of the thermodynamic database to solidification simulation and selection of heat treatment schedule is described.

  12. Interpreting equilibrium-conductivity and conductivity-relaxation measurements to establish thermodynamic and transport properties for multiple charged defect conducting ceramics.

    Science.gov (United States)

    Zhu, Huayang; Ricote, Sandrine; Coors, W Grover; Kee, Robert J

    2015-01-01

    A model-based interpretation of measured equilibrium conductivity and conductivity relaxation is developed to establish thermodynamic, transport, and kinetics parameters for multiple charged defect conducting (MCDC) ceramic materials. The present study focuses on 10% yttrium-doped barium zirconate (BZY10). In principle, using the Nernst-Einstein relationship, equilibrium conductivity measurements are sufficient to establish thermodynamic and transport properties. However, in practice it is difficult to establish unique sets of properties using equilibrium conductivity alone. Combining equilibrium and conductivity-relaxation measurements serves to significantly improve the quantitative fidelity of the derived material properties. The models are developed using a Nernst-Planck-Poisson (NPP) formulation, which enables the quantitative representation of conductivity relaxations caused by very large changes in oxygen partial pressure.

  13. Effect of temperature on equilibrium and thermodynamic parameters of Cd (II) adsorption onto turmeric powder

    International Nuclear Information System (INIS)

    Qayoom, A.

    2012-01-01

    Summary: Batch adsorption of Cd (II) onto turmeric powder was conducted as a function of temperature. Nonlinear Langmuir, Freundlich, Dubinin-Radushkevish (D-R) and Temkin equilibrium models were employed. In addition to R 2, five different error functions were used to determine best fit equilibrium isotherm model. It was found that Freundlich isotherm model provided better fit for adsorption data at 298 and 303 K and Langmuir model was suitable for the experimental data obtained at 310 and 313 K. It was found that increase in temperature decreased maximum adsorption capacities, showing that the adsorption of Cd (II) onto turmeric powder is exothermic. Enthalpy values also confirmed the same trend. Entropy values were negative which means that randomness decreased on increasing temperature. Gibbs free energies were non spontaneous at all the temperatures studied. E values were in the range of 2.73-3.23 kJ mol/sup -1/ which indicated that adsorption mechanism is essentially physical. (author)

  14. Thermodynamic Modeling and Optimization of the Copper Flash Converting Process Using the Equilibrium Constant Method

    Science.gov (United States)

    Li, Ming-zhou; Zhou, Jie-min; Tong, Chang-ren; Zhang, Wen-hai; Chen, Zhuo; Wang, Jin-liang

    2018-05-01

    Based on the principle of multiphase equilibrium, a mathematical model of the copper flash converting process was established by the equilibrium constant method, and a computational system was developed with the use of MetCal software platform. The mathematical model was validated by comparing simulated outputs, industrial data, and published data. To obtain high-quality blister copper, a low copper content in slag, and increased impurity removal rate, the model was then applied to investigate the effects of the operational parameters [oxygen/feed ratio (R OF), flux rate (R F), and converting temperature (T)] on the product weights, compositions, and the distribution behaviors of impurity elements. The optimized results showed that R OF, R F, and T should be controlled at approximately 156 Nm3/t, within 3.0 pct, and at approximately 1523 K (1250 °C), respectively.

  15. Modeling the nonequilibrium effects in a nonquasi-equilibrium thermodynamic cycle based on steepest entropy ascent and an isothermal-isobaric ensemble

    International Nuclear Information System (INIS)

    Li, Guanchen; Spakovsky, Michael R. von

    2016-01-01

    Conventional first principle approaches for studying nonequilibrium or far-from-equilibrium processes depend on the mechanics of individual particles or quantum states. They also require many details of the mechanical features of a system to arrive at a macroscopic property. In contrast, thermodynamics provides an approach for determining macroscopic property values without going into these details, because the overall effect of particle dynamics results, for example, at stable equilibrium in an invariant pattern of the “Maxwellian distribution”, which in turn leads to macroscopic properties. However, such an approach is not generally applicable to a nonequilibrium process except in the near-equilibrium realm. To adequately address these drawbacks, steepest-entropy-ascent quantum thermodynamics (SEAQT) provides a first principle, thermodynamic-ensemble approach applicable to the entire nonequilibrium realm. Based on prior developments by the authors, this paper applies the SEAQT framework to modeling the nonquasi-equilibrium cycle, which a system with variable volume undergoes. Using the concept of hypoequilibrium state and nonequilibrium intensive properties, this framework provides a complete description of the nonequilibrium evolution in state of the system. Results presented here reveal how nonequilibrium effects influence the performance of the cycle. - Highlights: • First-principles nonequilibrium model of thermodynamic cycles. • Study of thermal efficiency losses due to nonequilibrium effects. • Study of systems undergoing nonquasi-equilibrium processes. • Study of the coupling of system relaxation and interaction with a reservoir.

  16. Equilibrium and Thermodynamic Studies of Methane Adsorption on Multi-Walled Carbon Nanotube

    OpenAIRE

    Sanaz. Monemtabary; Mojtaba Shariati Niasar; Mohsen Jahanshahi; Ali Asghar Ghoreyshi

    2013-01-01

    In this work, The adsorption of methane onto multi-walled carbon nanotubes (MWCNTs) was studied, in which the influences of temperatureand pressure were investigated. The physical properties of the MWCNT were systematically characterised by Scanning Electron Microscopy (SEM) and Brunauere-Emmette-Teller (BET) surface area measurements. The equilibrium adsorption data were analyzed using threecommon adsorption models: Langmuir, Freundlich and Sips. All of the models fit the experimental result...

  17. Adsorption of Benzaldehyde on Granular Activated Carbon: Kinetics, Equilibrium, and Thermodynamic

    OpenAIRE

    Rajoriya, R.K.; Prasad, B.; Mishra, I.M.; Wasewar, K.L.

    2007-01-01

    Adsorption isotherms of benzaldehyde from aqueous solutions onto granular activated carbon have been determined and studied the effect of dosage of granular activated carbon, contact time, and temperature on adsorption. Optimum conditions for benzaldehyde removal were found adsorbent dose 4 g l–1 of solution and equilibrium time t 4 h. Percent removal of benzaldehyde increases with the increase in adsorbent dose for activated carbon, however, it decreases with increase in benzaldehyde m...

  18. Thermodynamic behavior of poly(3-alkyl thiophene) blends: Equilibrium cocrystal formation and phase segregation.

    Science.gov (United States)

    Pal, Susmita; Nandi, Arun K

    2005-02-24

    The equilibrium cocrystal formation of poly(3-alkyl thiophene) (P3AT) blends has been studied by isothermal cocrystallization in a differential scanning calorimeter (DSC-7). The equilibrium melting points (T(m)0) of the cocrystals are measured using the Hoffman-Weeks extrapolation procedure. The equilibrium phase diagrams are of three different types: (a) concave upward, (b) linear, and (c) linear with phase separation at higher content of lower melting component. The phase diagram nature depends on the regioregularity difference and also on the difference in the number of carbon atoms in the pendent alkyl group of the components. The origin of biphasic nature of type "c" phase diagram has been explored from the glass transition temperature (Tg) measurement using a dynamic mechanical analyzer. The biphasic compositions show two glass transition temperatures (Tg) as well as two beta transition temperatures (T beta). The T(g)s of phase-separated regions correspond to almost the component values but the T(beta)s correspond to that of a lower (T beta) component value, and the other is higher than that of the higher (T beta) component value. Possible reasons are discussed from the interchain lamella thickness in the P3AT blends and molecular modeling using molecular mechanics program.

  19. A theoretical view on the thermodynamic cis-trans equilibrium of dihalo ruthenium olefin metathesis (pre-)catalysts

    KAUST Repository

    Pump, Eva

    2015-02-24

    Abstract: This work was conducted to provide an overview on the position of the thermodynamic cis–trans equilibrium of 85 conventional and X-chelated alkylidene-ruthenium complexes (X=O, S, Se, N, P, Cl, I, Br). The reported energies (ΔE) were obtained through single-point calculations with M06 functional and TZVP basis set from BP86/SVP-optimized cis- and trans-dichloro geometries and using the polarizable continuum model to simulate the influence of the solvent. Dichloromethane and toluene were selected as examples for solvents with high and low dielectric constants. The obtained relative stabilities of the cis- and trans-dihalo derivatives of the respective alkylidene complexes will serve for a better explanation of their catalytic activity as has been disclosed herein with selected examples.Graphical abstract: [Figure not available: see fulltext.

  20. Biosorption of bovine serum albumin by Ulva lactuca biomass from industrial wastewater: Equilibrium, kinetic and thermodynamic study

    Energy Technology Data Exchange (ETDEWEB)

    Rathinam, Aravindhan [Chemical Laboratory, Central Leather Research Institute, Adyar, Chennai 600020 (India); Zou, Linda, E-mail: linda.zou@unisa.edu.au [SA Water Centre for Water Management and Reuse, University of South Australia, Mawson Lakes Campus, Adelaide, SA 5095 (Australia)

    2010-12-15

    Batch biosorption experiments have been carried out for the removal of bovine serum albumin (BSA) from simulated industrial wastewater onto Ulva lactuca seaweed. Various vital parameters influencing the biosorption process such as initial concentration of BSA, pH of the solution, adsorbent dosage and temperature have been determined. The biosorption kinetics follows a pseudo-second order kinetic model. Equilibrium isotherm studies demonstrate that the biosorption followed the Freundlich isotherm model, which implies a heterogeneous sorption phenomenon. Various thermodynamic parameters such as changes in enthalpy, free energy and entropy have been calculated. The positive value of {Delta}H{sup o} and the negative value of {Delta}G{sup o} show that the sorption process is endothermic and spontaneous. The positive value of change in entropy {Delta}S{sup o} shows increased randomness at the solid-liquid interface during the biosorption of BSA onto U. lactuca seaweed.

  1. Effects of deviations from local thermodynamic equilibrium in the atmospheres of F supergiants. I. Overionization of Fe I atoms

    International Nuclear Information System (INIS)

    Boyarchuk, A.A.; Lyubimkov, L.S.; Sakhibullin, N.A.

    1985-01-01

    For a number of class F supergiants and dwarfs, non-LTE calculations have been made of the Fe I-Fe II ionization balance. It is shown that deviations from local thermodynamic equilibrium lead to a strong overionization of the Fe I atoms in the upper layers of the atmosphere. This confirms the conclusion obtained by Lyubimkov and Boyarchuk on the basis of an investigation of microturbulence in F supergiants. The reason for the overionization (compared with LTE) is the nonequality of the recombination and photoionization temperatures: To recombination processes there corresponds a local temperature T(/tau/), whereas the photoionization takes place under the influence of ultraviolet radiation from deeper and hotter layers of the atmosphere. The equivalent widths of some Fe I lines have been calculated. It is shown that neglect of the overionization in the analysis of sufficiently strong lines may lead to an underestimation of the iron abundance by an order of magnitude

  2. Adsorptioin performance of modified nkalagu bentonite in dye removal: kinetics, equilibrium, thermodynamics and structureal properties of the modified samples

    International Nuclear Information System (INIS)

    Ajemba, R.O.

    2015-01-01

    The adsorption performance of modified Nkalagu bentonite in removing Congo red (CR) from solution was investigated. The raw bentonite was modified by three different physicochemical methods: thermal activation (TA), acid activation (AA), and combined acid and thermal activation (ATA). The Congo red adsorption increased with increase in contact time, initial dye concentration, adsorbent dosage, temperature, and pH change. The results of the kinetics analysis of the adsorption data revealed that adsorption follows pseudo second-order kinetics. Analysis of the equilibrium data showed that Langmuir isotherm provided a better fit to the data. Evaluation of the thermodynamic parameters revealed that adsorption process is spontaneous and endothermic. The results from this study suggest that a combination of thermal and acid activation is an effective modification method to improve adsorption capacity of bentonite and makes the bentonite as low-cost adsorbent for removal of water pollutants. (author)

  3. Biosorption of bovine serum albumin by Ulva lactuca biomass from industrial wastewater: equilibrium, kinetic and thermodynamic study.

    Science.gov (United States)

    Rathinam, Aravindhan; Zou, Linda

    2010-12-15

    Batch biosorption experiments have been carried out for the removal of bovine serum albumin (BSA) from simulated industrial wastewater onto Ulva lactuca seaweed. Various vital parameters influencing the biosorption process such as initial concentration of BSA, pH of the solution, adsorbent dosage and temperature have been determined. The biosorption kinetics follows a pseudo-second order kinetic model. Equilibrium isotherm studies demonstrate that the biosorption followed the Freundlich isotherm model, which implies a heterogeneous sorption phenomenon. Various thermodynamic parameters such as changes in enthalpy, free energy and entropy have been calculated. The positive value of ΔH° and the negative value of ΔG° show that the sorption process is endothermic and spontaneous. The positive value of change in entropy ΔS° shows increased randomness at the solid-liquid interface during the biosorption of BSA onto U. lactuca seaweed. Copyright © 2010 Elsevier B.V. All rights reserved.

  4. Biosorption of bovine serum albumin by Ulva lactuca biomass from industrial wastewater: Equilibrium, kinetic and thermodynamic study

    International Nuclear Information System (INIS)

    Rathinam, Aravindhan; Zou, Linda

    2010-01-01

    Batch biosorption experiments have been carried out for the removal of bovine serum albumin (BSA) from simulated industrial wastewater onto Ulva lactuca seaweed. Various vital parameters influencing the biosorption process such as initial concentration of BSA, pH of the solution, adsorbent dosage and temperature have been determined. The biosorption kinetics follows a pseudo-second order kinetic model. Equilibrium isotherm studies demonstrate that the biosorption followed the Freundlich isotherm model, which implies a heterogeneous sorption phenomenon. Various thermodynamic parameters such as changes in enthalpy, free energy and entropy have been calculated. The positive value of ΔH o and the negative value of ΔG o show that the sorption process is endothermic and spontaneous. The positive value of change in entropy ΔS o shows increased randomness at the solid-liquid interface during the biosorption of BSA onto U. lactuca seaweed.

  5. Thermodynamic analysis of waste heat power generation system

    International Nuclear Information System (INIS)

    Guo, Jiangfeng; Xu, Mingtian; Cheng, Lin

    2010-01-01

    In the present work, a waste heat power generation system is analyzed based on the criteria with and without considering the heat/exergy loss to the environment. For the criteria without considering the heat/exergy loss to the environment, the first- and second-law efficiencies display different tendencies with the variations of some system parameters. When the heat/exergy loss to the environment is taken into consideration, the first and second law efficiencies display the same tendency. Thus, choosing the appropriate expressions for the performance criteria is crucial for the optimization design of the waste heat power generation system. It is found that there are two approaches to improving the system performance: one is to improve the heat/exergy input; the other is to enhance the heat-work conversion ability of the system. The former would deteriorate the environment if the heat-work conversion ability of the system remains unchanged; the latter could reduce the environmental impact but it's restricted by the heat/exergy input. Therefore, the optimal operation condition should be achieved at the trade-off between the heat/exergy input and the heat-work conversion ability of the system.

  6. A review of chemical heat pumps, thermodynamic cycles and thermal energy storage technologies for low grade heat utilisation

    International Nuclear Information System (INIS)

    Chan, C.W.; Ling-Chin, J.; Roskilly, A.P.

    2013-01-01

    A major cause of energy inefficiency is a result of the generation of waste heat and the lack of suitable technologies for cost-effective utilisation of low grade heat in particular. The market potential for surplus/waste heat from industrial processes in the UK is between 10 TWh and 40 TWh, representing a significant potential resource which has remained unexploited to date. This paper reviews selected technologies suitable for utilisation of waste heat energy, with specific focus on low grade heat, including: (i) chemical heat pumps, such as adsorption and absorption cycles for cooling and heating; (ii) thermodynamic cycles, such as the organic Rankine cycle (ORC), the supercritical Rankine cycle (SRC) and the trilateral cycle (TLC), to produce electricity, with further focus on expander and zeotropic mixtures, and (iii) thermal energy storage, including sensible and latent thermal energy storages and their corresponding media to improve the performance of low grade heat energy systems. - Highlights: ► The review of various thermal technologies for the utilisation of under exploited low grade heat. ► The analyses of the absorption and adsorption heat pumps possibly with performance enhancement additives. ► The analyses of thermal energy storage technologies (latent and sensible) for heat storage. ► The analyses of low temperature thermodynamic cycles to maximise power production.

  7. Thermodynamic performance analysis and algorithm model of multi-pressure heat recovery steam generators (HRSG) based on heat exchangers layout

    International Nuclear Information System (INIS)

    Feng, Hongcui; Zhong, Wei; Wu, Yanling; Tong, Shuiguang

    2014-01-01

    Highlights: • A general model of multi-pressure HRSG based on heat exchangers layout is built. • The minimum temperature difference is introduced to replace pinch point analysis. • Effects of layout on dual pressure HRSG thermodynamic performances are analyzed. - Abstract: Changes of heat exchangers layout in heat recovery steam generator (HRSG) will modify the amount of waste heat recovered from flue gas; this brings forward a desire for the optimization of the design of HRSG. In this paper the model of multi-pressure HRSG is built, and an instance of a dual pressure HRSG under three different layouts of Taihu Boiler Co., Ltd. is discussed, with specified values of inlet temperature, mass flow rate, composition of flue gas and water/steam parameters as temperature, pressure etc., steam mass flow rate and heat efficiency of different heat exchangers layout of HRSG are analyzed. This analysis is based on the laws of thermodynamics and incorporated into the energy balance equations for the heat exchangers. In the conclusion, the results of the steam mass flow rate, heat efficiency obtained for three heat exchangers layout of HRSGs are compared. The results show that the optimization of heat exchangers layout of HRSGs has a great significance for waste heat recovery and energy conservation

  8. Equilibrium, kinetic and thermodynamic studies of the biosorption of textile dye (Reactive Red 195) onto Pinus sylvestris L

    International Nuclear Information System (INIS)

    Aksakal, Ozkan; Ucun, Handan

    2010-01-01

    This study investigated the biosorption of Reactive Red 195 (RR 195), an azo dye, from aqueous solution by using cone biomass of Pinus sylvestris Linneo. To this end, pH, initial dye concentration, biomass dosage and contact time were studied in a batch biosorption system. Maximum pH for efficient RR 195 biosorption was found to be 1.0 and the initial RR 195 concentration increased with decreasing percentage removal. Biosorption capacity increased from 6.69 mg/g at 20 deg. C to 7.38 mg/g at 50 deg. C for 200 mg/L dye concentration. Kinetics of the interactions was tested by pseudo-first-order and pseudo-second-order kinetics, the Elovich equation and intraparticle diffusion mechanism. Pseudo-second-order kinetic model provided a better correlation for the experimental data studied in comparison to the pseudo-first-order kinetic model and intraparticle diffusion mechanism. Moreover, the Elovich equation also showed a good fit to the experimental data. Freundlich and Langmuir adsorption isotherms were used for the mathematical description of the biosorption equilibrium data. The activation energy of biosorption (Ea) was found to be 8.904 kJ/mol by using the Arrhenius equation. Using the thermodynamic equilibrium coefficients obtained at different temperatures, the study also evaluated the thermodynamic constants of biosorption (ΔG o , ΔH o and ΔS). The results indicate that cone biomass can be used as an effective and low-cost biosorbent to remove reactive dyes from aqueous solution.

  9. A new perspective on the electron transfer: recovering the Butler-Volmer equation in non-equilibrium thermodynamics.

    Science.gov (United States)

    Dreyer, Wolfgang; Guhlke, Clemens; Müller, Rüdiger

    2016-09-28

    Electron transfer reactions are commonly described by the phenomenological Butler-Volmer equation which has its origin in kinetic theories. The Butler-Volmer equation relates interfacial reaction rates to bulk quantities like the electrostatic potential and electrolyte concentrations. Although the general structure of the equation is well accepted, for modern electrochemical systems like batteries and fuel cells there is still intensive discussion about the specific dependencies of the coefficients. A general guideline for the derivation of Butler-Volmer type equations is missing in the literature. We derive very general relations of Butler-Volmer structure which are based on a rigorous non-equilibrium thermodynamic model and allow for adaption to a wide variety of electrochemical systems. We discuss the application of the new thermodynamic approach to different scenarios like the classical electron transfer reactions at metal electrodes and the intercalation process in lithium-iron-phosphate electrodes. Furthermore we show that under appropriate conditions also adsorption processes can lead to Butler-Volmer equations. We illustrate the application of our theory by a strongly simplified example of electroplating.

  10. A non-equilibrium model for soil heating and moisture transport during extreme surface heating: The soil (heat-moisture-vapor) HMV-Model Version

    Science.gov (United States)

    William Massman

    2015-01-01

    Increased use of prescribed fire by land managers and the increasing likelihood of wildfires due to climate change require an improved modeling capability of extreme heating of soils during fires. This issue is addressed here by developing and testing the soil (heat-moisture-vapor) HMVmodel, a 1-D (one-dimensional) non-equilibrium (liquid- vapor phase change)...

  11. Thermodynamic Heat Water by The Condenser of Refrigerator

    International Nuclear Information System (INIS)

    Ben Slama, Romdhane

    2009-01-01

    The present innovation relates to the coupling of a refrigerator to a cumulus to heat water and this, thanks to the heat yielded to the level of the condenser of the refrigerating system even. The heating of water is carried out thus without energy over consumption. The quantity of heat transferred by the water-cooled condenser is sufficient to raise the temperature of this latter with 60 degree at the end of five hours. This can satisfy completely or partially the requirements out of hot water of a family which can distribute its requirements out of hot water all along the day and the week. The quantity of heat recovered by water to heat rises with four multiples the power consumption by the compressor. The system thus makes it possible to save energy and to safeguard the environment

  12. The Second Law of Thermodynamics in a Quantum Heat Engine Model

    International Nuclear Information System (INIS)

    Zhang Ting; Cai Lifeng; Chen Pingxing; Li Chengzu

    2006-01-01

    The second law of thermodynamics has been proven by many facts in classical world. Is there any new property of it in quantum world? In this paper, we calculate the change of entropy in T.D. Kieu's model for quantum heat engine (QHE) and prove the broad validity of the second law of thermodynamics. It is shown that the entropy of the quantum heat engine neither decreases in a whole cycle, nor decreases in either stage of the cycle. The second law of thermodynamics still holds in this QHE model. Moreover, although the modified quantum heat engine is capable of extracting more work, its efficiency does not improve at all. It is neither beyond the efficiency of T.D. Kieu's initial model, nor greater than the reversible Carnot efficiency.

  13. Equilibrium, kinetic and thermodynamic studies of adsorption of Pb(II) from aqueous solution onto Turkish kaolinite clay

    International Nuclear Information System (INIS)

    Sari, Ahmet; Tuzen, Mustafa; Citak, Demirhan; Soylak, Mustafa

    2007-01-01

    The adsorption of Pb(II) onto Turkish (Bandirma region) kaolinite clay was examined in aqueous solution with respect to the pH, adsorbent dosage, contact time, and temperature. The linear Langmuir and Freundlich models were applied to describe equilibrium isotherms and both models fitted well. The monolayer adsorption capacity was found as 31.75 mg/g at pH 5 and 20 deg. C. Dubinin-Radushkevich (D-R) isotherm model was also applied to the equilibrium data. The mean free energy of adsorption (13.78 kJ/mol) indicated that the adsorption of Pb(II) onto kaolinite clay may be carried out via chemical ion-exchange mechanism. Thermodynamic parameters, free energy (ΔG o ), enthalpy (ΔH o ) and entropy (ΔS o ) of adsorption were also calculated. These parameters showed that the adsorption of Pb(II) onto kaolinite clay was feasible, spontaneous and exothermic process in nature. Furthermore, the Lagergren-first-order, pseudo-second-order and the intraparticle diffusion models were used to describe the kinetic data. The experimental data fitted well the pseudo-second-order kinetics

  14. Adsorption of basic dye on high-surface-area activated carbon prepared from coconut husk: Equilibrium, kinetic and thermodynamic studies

    Energy Technology Data Exchange (ETDEWEB)

    Tan, I.A.W.; Ahmad, A.L. [School of Chemical Engineering, Universiti Sains Malaysia, Engineering Campus, 14300 Nibong Tebal, Penang (Malaysia); Hameed, B.H. [School of Chemical Engineering, Universiti Sains Malaysia, Engineering Campus, 14300 Nibong Tebal, Penang (Malaysia)], E-mail: chbassim@eng.usm.my

    2008-06-15

    Adsorption isotherm and kinetics of methylene blue on activated carbon prepared from coconut husk were determined from batch tests. The effects of contact time (1-30 h), initial dye concentration (50-500 mg/l) and solution temperature (30-50 {sup o}C) were investigated. Equilibrium data were fitted to Langmuir, Freundlich, Temkin and Dubinin-Radushkevich isotherm models. The equilibrium data were best represented by Langmuir isotherm model, showing maximum monolayer adsorption capacity of 434.78 mg/g. The kinetic data were fitted to pseudo-first-order, pseudo-second-order and intraparticle diffusion models, and was found to follow closely the pseudo-second-order kinetic model. Thermodynamic parameters such as standard enthalpy ({delta}H{sup o}), standard entropy ({delta}S{sup o}) and standard free energy ({delta}G{sup o}) were evaluated. The adsorption interaction was found to be exothermic in nature. Coconut husk-based activated carbon was shown to be a promising adsorbent for removal of methylene blue from aqueous solutions.

  15. Cluster emission at pre-equilibrium stage in Heavy Nuclear Reactions. A Model considering the Thermodynamics of Small Systems

    International Nuclear Information System (INIS)

    Bermudez Martinez, A.; Damiani, D.; Guzman Martinez, F.; Rodriguez Hoyos, O.; Rodriguez Manso, A.

    2015-01-01

    Cluster emission at pre-equilibrium stage, in heavy ion fusion reactions of 12 C and 16 O nuclei with 116 Sn, 208 Pb, 238 U are studied. the energy of the projectile nuclei was chosen at 0.25GeV, 0.5GeV and 1GeV. A cluster formation model is developed in order to calculate the cluster size. Thermodynamics of small systems was used in order to examine the cluster behavior inside the nuclear media. This model is based on considering two phases inside the compound nucleus, on one hand the nuclear media phase, and on the other hand the cluster itself. The cluster acts like an instability inside the compound nucleus, provoking an exchange of nucleons with the nuclear media through its surface. The processes were simulated using Monte Carlo methods. We obtained that the cluster emission probability shows great dependence on the cluster size. This project is aimed to implement cluster emission processes, during the pre-equilibrium stage, in the frame of CRISP code (Collaboration Rio-Sao Paulo). (Author)

  16. Determination and correlation thermodynamic models for solid–liquid equilibrium of the Nifedipine in pure and mixture organic solvents

    International Nuclear Information System (INIS)

    Wu, Gang; Hu, Yonghong; Gu, Pengfei; Yang, Wenge; Wang, Chunxiao; Ding, Zhiwen; Deng, Renlun; Li, Tao; Hong, Housheng

    2016-01-01

    Highlights: • The solubility increased with increasing temperature. • The data were fitted using the modified Apelblat equation in pure solvents. • The data were fitted using the CNIBS/R-K model in binary solvent mixture. - Abstract: Knowledge of thermodynamic parameters on corresponding solid-liquid equilibrium of nifedipine in different solvents is essential for a preliminary study of pharmaceutical engineering and industrial applications. In this paper, a gravimetric method was used to correct the solid-liquid equilibrium of nifedipine in methanol, ethanol, 1-butanol, acetone, acetonitrile, ethyl acetate and tetrahydrofuran pure solvents as well as in the (tetrahydrofuran + acetonitrile) mixture solvents at temperatures from 278.15 K to 328.15 K under 0.1 MPa. For the temperature range investigation, the solubility of nifedipine in the solvents increased with increasing temperature. The solubility of nifedipine in tetrahydrofuran is superior to other selected pure solvents. The modified Apelblat model, the Buchowski-Ksiazaczak λh model, and the ideal model were adopted to describe and predict the change tendency of solubility. Computational results showed that the modified Apelblat model stood out to be more suitable with the higher accuracy. The solubility values were fitted using a modified Apelblat model, a variant of the combined nearly ideal binary solvent/Redich-Kister (CNIBS/R-K) model and Jouyban-Acree model in (tetrahydrofuran + acetonitrile) binary solvent mixture. Computational results showed that the CNIBS/R-K model had more advantages than other models.

  17. Elimination of carbon vacancies in 4H-SiC employing thermodynamic equilibrium conditions at moderate temperatures

    Energy Technology Data Exchange (ETDEWEB)

    Ayedh, H. M.; Svensson, B. G. [University of Oslo, Department of Physics/Center for Materials Science and Nanotechnology, P.O. Box 1048 Blindern, N-0316 Oslo (Norway); Nipoti, R. [Consiglio Nazionale delle Ricerche, Istituto di Microelettronica e Microsistemi, Sezione di Bologna (CNR-IMM of Bologna), I-40129 Bologna (Italy); Hallén, A. [Royal Institute of Technology, School of Information and Communication Technology (ICT), SE-164 40 Kista-Stockholm (Sweden)

    2015-12-21

    The carbon vacancy (V{sub C}) is a major point defect in high-purity 4H-SiC epitaxial layers limiting the minority charge carrier lifetime. In layers grown by chemical vapor deposition techniques, the V{sub C} concentration is typically in the range of 10{sup 12 }cm{sup −3}, and after device processing at temperatures approaching 2000 °C, it can be enhanced by several orders of magnitude. In the present study, both as-grown layers and a high-temperature processed one have been annealed at 1500 °C and the V{sub C} concentration is demonstrated to be strongly reduced, exhibiting a value of only a few times 10{sup 11 }cm{sup −3} as determined by deep-level transient spectroscopy measurements. The value is reached already after annealing times on the order of 1 h and is evidenced to reflect thermodynamic equilibrium under C-rich ambient conditions. The physical processes controlling the kinetics for establishment of the V{sub C} equilibrium are estimated to have an activation energy below ∼3 eV and both in-diffusion of carbon interstitials and out-diffusion of V{sub C}'s are discussed as candidates. This concept of V{sub C} elimination is flexible and readily integrated in a materials and device processing sequence.

  18. Basic Thermodynamics

    International Nuclear Information System (INIS)

    Duthil, P

    2014-01-01

    The goal of this paper is to present a general thermodynamic basis that is useable in the context of superconductivity and particle accelerators. The first part recalls the purpose of thermodynamics and summarizes its important concepts. Some applications, from cryogenics to magnetic systems, are covered. In the context of basic thermodynamics, only thermodynamic equilibrium is considered

  19. Basic Thermodynamics

    Energy Technology Data Exchange (ETDEWEB)

    Duthil, P [Orsay, IPN (France)

    2014-07-01

    The goal of this paper is to present a general thermodynamic basis that is useable in the context of superconductivity and particle accelerators. The first part recalls the purpose of thermodynamics and summarizes its important concepts. Some applications, from cryogenics to magnetic systems, are covered. In the context of basic thermodynamics, only thermodynamic equilibrium is considered.

  20. Adsorption of Malachite Green Dye by Acid Activated Carbon - Kinetic, Thermodynamic and Equilibrium Studies

    Directory of Open Access Journals (Sweden)

    P. K. Baskaran

    2011-01-01

    Full Text Available The ability of zea mays dust carbon to remove malachite green from aqueous solutions has been studied for different adsorbate concentrations by varying the amount of adsorbent, temperature, pH and shaking time. Thermodynamic parameters such as ΔH°,ΔS° and ΔG°, were calculated from the slope and intercept of the linear plots. Analysis of adsorption results obtained at 303, 313, 323 and 333 K showed that the adsorption pattern on zea mays dust carbon seems to follow the Langmuir and Freundlich. The numerical values of sorption free energy indicate physical adsorption. The kinetic data indicated an intra-particle diffusion process with sorption being first order. The concentration of malachite green oxalate was measured before and after adsorption by using UV-visible spectrophotometer.

  1. Insight into biosorption equilibrium, kinetics and thermodynamics of crystal violet onto Ananas comosus (pineapple) leaf powder

    Science.gov (United States)

    Chakraborty, Sagnik; Chowdhury, Shamik; Saha, Papita Das

    2012-06-01

    Biosorption performance of pineapple leaf powder (PLP) for removal of crystal violet (CV) from its aqueous solutions was investigated. To this end, the influence of operational parameters such as pH, biosorbent dose, initial dye concentration and temperature were studied employing a batch experimental setup. The biosorption process followed the Langmuir isotherm model with high correlation coefficients ( R 2 > 0.99) at different temperatures. The maximum monolayer biosorption capacity was found to be 78.22 mg g-1 at 293 K. The kinetic data conformed to the pseudo-second-order kinetic model. The activation energy of the system was calculated as 58.96 kJ mol- 1 , indicating chemisorption nature of the ongoing biosorption process. A thermodynamic study showed spontaneous and exothermic nature of the biosorption process. Owing to its low cost and high dye uptake capacity, PLP has potential for application as biosorbent for removal of CV from aqueous solutions.

  2. A breakthrough biosorbent in removing heavy metals: Equilibrium, kinetic, thermodynamic and mechanism analyses in a lab-scale study

    Energy Technology Data Exchange (ETDEWEB)

    Abdolali, Atefeh [Centre for Technology in Water and Wastewater, School of Civil and Environmental Engineering, University of Technology Sydney, Broadway, NSW 2007 (Australia); Ngo, Huu Hao, E-mail: h.ngo@uts.edu.au [Centre for Technology in Water and Wastewater, School of Civil and Environmental Engineering, University of Technology Sydney, Broadway, NSW 2007 (Australia); Guo, Wenshan [Centre for Technology in Water and Wastewater, School of Civil and Environmental Engineering, University of Technology Sydney, Broadway, NSW 2007 (Australia); Lu, Shaoyong [Chinese Research Academy of Environmental Science, Beijing 100012 (China); Chen, Shiao-Shing; Nguyen, Nguyen Cong [Institute of Environmental Engineering and Management, National Taipei University of Technology, No. 1, Sec. 3, Chung-Hsiao E. Rd, Taipei 106, Taiwan (China); Zhang, Xinbo [Department of Environmental and Municipal Engineering, Tianjin Key Laboratory of Aquatic Science and Technology, Tianjin Chengjian University, Jinjing Road 26, Tianjin 300384 (China); Wang, Jie; Wu, Yun [School of Environmental and Chemical Engineering, Tianjin Polytechnic University, Tianjin 300387 (China)

    2016-01-15

    A breakthrough biosorbent namely multi-metal binding biosorbent (MMBB) made from a combination of tea wastes, maple leaves and mandarin peels, was prepared to evaluate their biosorptive potential for removal of Cd(II), Cu(II), Pb(II) and Zn(II) from multi-metal aqueous solutions. FTIR and SEM were conducted, before and after biosorption, to explore the intensity and position of the available functional groups and changes in adsorbent surface morphology. Carboxylic, hydroxyl and amine groups were found to be the principal functional groups for the sorption of metals. MMBB exhibited best performance at pH 5.5 with maximum sorption capacities of 31.73, 41.06, 76.25 and 26.63 mg/g for Cd(II), Cu(II), Pb(II) and Zn(II), respectively. Pseudo-first and pseudo-second-order models represented the kinetic experimental data in different initial metal concentrations very well. Among two-parameter adsorption isotherm models, the Langmuir equation gave a better fit of the equilibrium data. For Cu(II) and Zn(II), the Khan isotherm describes better biosorption conditions while for Cd(II) and Pb(II), the Sips model was found to provide the best correlation of the biosorption equilibrium data. The calculated thermodynamic parameters indicated feasible, spontaneous and exothermic biosorption process. Overall, this novel MMBB can effectively be utilized as an adsorbent to remove heavy metal ions from aqueous solutions. - Highlights: • A novel multi-metal binding biosorbent (MMBB) was studied. • The biosorption of Cd{sup 2+}, Cu{sup 2+}, Pb{sup 2+} and Zn{sup 2+} on MMBB was evaluated. • Hydroxyl, carbonyl and amine groups are involved in metal binding of MMBB. • Equilibrium data were presented and the best fitting models were identified. • The obtained results recommend this MMBB as potentially low-cost biosorbent.

  3. Thermodynamics and heat-mass-transfer. Termodinamika i teplomassoperenos

    Energy Technology Data Exchange (ETDEWEB)

    Telegin, A.S.; Shvydkiy, V.S.; Yaroshenko, Yu.G.

    1980-01-01

    This book describes in detail features of heat exchange in the layer of piece materials. Questions are presented of the nonstationary heat conductivity and convection. The authors have considered it possible to focus considerable attention on different numerical methods of solving thermophysical tasks.

  4. Simulation and analysis on thermodynamic performance of surface water source heat pump system

    Institute of Scientific and Technical Information of China (English)

    Nan Lv; Qing Zhang; Zhenqian Chen; Dongsheng Wu

    2017-01-01

    This work established a thermodynamic performance model of a heat pump system containing a heat pump unit model, an air conditioning cooling and heating load calculation model, a heat exchanger model and a water pump performance model based on mass and energy balances. The thermodynamic performance of a surface water source heat pump air conditioning system was simulated and verified by comparing the simulation results to an actual engineering project. In addition, the effects of the surface water temperature, heat exchanger structure and surface water pipeline transportation system on the thermodynamic performance of the heat pump air conditioning system were analyzed. Under the simulated conditions in this paper with a cooling load of 3400 kW, the results showed that a 1 ℃ decrease in the surface water temperature leads to a 2.3 percent increase in the coefficient of performance; furthermore, an additional 100 m of length for the closed-loop surface water heat exchanger tube leads to a 0.08 percent increase in the coefficient of performance. To decrease the system energy consumption, the optimal working point should be specified according to the surface water transportation length.

  5. Heat transfer in porous medium embedded with vertical plate: Non-equilibrium approach - Part A

    Energy Technology Data Exchange (ETDEWEB)

    Badruddin, Irfan Anjum [Dept. of Mechanical Engineering, University of Malaya, Kuala Lumpur, 50603 (Malaysia); Quadir, G. A. [School of Mechatronic Engineering, University Malaysia Perlis, Pauh Putra, 02600 Arau, Perlis (Malaysia)

    2016-06-08

    Heat transfer in a porous medium embedded with vertical flat plate is investigated by using thermal non-equilibrium model. Darcy model is employed to simulate the flow inside porous medium. It is assumed that the heat transfer takes place by natural convection and radiation. The vertical plate is maintained at isothermal temperature. The governing partial differential equations are converted into non-dimensional form and solved numerically using finite element method. Results are presented in terms of isotherms and streamlines for various parameters such as heat transfer coefficient parameter, thermal conductivity ratio, and radiation parameter.

  6. Heat transfer in porous medium embedded with vertical plate: Non-equilibrium approach - Part A

    International Nuclear Information System (INIS)

    Badruddin, Irfan Anjum; Quadir, G. A.

    2016-01-01

    Heat transfer in a porous medium embedded with vertical flat plate is investigated by using thermal non-equilibrium model. Darcy model is employed to simulate the flow inside porous medium. It is assumed that the heat transfer takes place by natural convection and radiation. The vertical plate is maintained at isothermal temperature. The governing partial differential equations are converted into non-dimensional form and solved numerically using finite element method. Results are presented in terms of isotherms and streamlines for various parameters such as heat transfer coefficient parameter, thermal conductivity ratio, and radiation parameter

  7. DOE Fundamentals Handbook: Thermodynamics, Heat Transfer, and Fluid Flow, Volume 1

    International Nuclear Information System (INIS)

    1992-06-01

    The Thermodynamics, Heat Transfer, and Fluid Flow Fundamentals Handbook was developed to assist nuclear facility operating contractors provide operators, maintenance personnel, and the technical staff with the necessary fundamentals training to ensure a basic understanding of the thermal sciences. The handbook includes information on thermodynamics and the properties of fluids; the three modes of heat transfer -- conduction, convection, and radiation; and fluid flow, and the energy relationships in fluid systems. This information will provide personnel with a foundation for understanding the basic operation of various types of DOE nuclear facility fluid systems

  8. Worked problems in heat, thermodynamics and kinetic theory for physics students

    CERN Document Server

    Pincherle, L; Green, L L

    2013-01-01

    Worked Problems in Heat, Thermodynamics and Kinetic Theory for Physics Students is a complementary to textbooks in physics. This book is a collection of exercise problems that have been part of tutorial classes in heat and thermodynamics at the University of London. This collection of exercise problems, with answers that are fully worked out, deals with various topics. This book poses problems covering the definition of temperature such as calculating the assigned value of the temperature of boiling water under specific conditions. This text also gives example of problems dealing with the fir

  9. DOE Fundamentals Handbook: Thermodynamics, Heat Transfer, and Fluid Flow, Volume 3

    International Nuclear Information System (INIS)

    1992-06-01

    The Thermodynamics, Heat Transfer, and Fluid Flow Fundamentals Handbook was developed to assist nuclear facility operating contractors provide operators, maintenance personnel, and the technical staff with the necessary fundamentals training to ensure a basic understanding of the thermal sciences. The handbook includes information on thermodynamics and the properties of fluids; the three modes of heat transfer -- conduction, convection, and radiation; and fluid flow, and the energy relationships in fluid systems. This information will provide personnel with a foundation for understanding the basic operation of various types of DOE nuclear facility fluid systems

  10. DOE Fundamentals Handbook: Thermodynamics, Heat Transfer, and Fluid Flow, Volume 2

    International Nuclear Information System (INIS)

    1992-06-01

    The Thermodynamics, Heat Transfer, and Fluid Flow Fundamentals Handbook was developed to assist nuclear facility operating contractors provide operators, maintenance personnel, and the technical staff with the necessary fundamentals training to ensure a basic understanding of the thermal sciences. The handbook includes information on thermodynamics and the properties of fluids; the three modes of heat transfer -- conduction, convection, and radiation; and fluid flow, and the energy relationships in fluid systems. This information will provide personnel with a foundation for understanding the basic operation of various types of DOE nuclear facility fluid systems

  11. Improving the quality of learning discipline “Technical thermodynamics and heat exchange” at ONMU

    Science.gov (United States)

    Vasserman, A. A.; Malchevsky, V. P.

    2017-11-01

    Discipline «Technical thermodynamics and heat exchange» creates a theoretical basis for students of ship-engineering faculty of Odessa National Maritime University to learn special subjects such as: Internal Combustion Engines, Steam and Gas Turbines, Steam Boilers, Refrigerating Plants. This course forms future specialist and provides the deep understanding of essence of thermodynamic processes which run in machines and apparatus of ship. Also different kinds of heat exchange in solid, liquid and gaseous bodies which take place almost in all technological processes are considered. The quality of training ship engineers depends on the knowledge of mentioned discipline.

  12. Do all ecosystems maximise their distance with respect to thermodynamic equilibrium? A comment on the Ecological Law of Thermodynamics (ELT, proposed by Sven Erik Jørgensen

    Directory of Open Access Journals (Sweden)

    Rutger de Wit

    2005-09-01

    Full Text Available Sven Erik Jørgensen has boldly proposed a “Fourth Law of Thermodynamics” which he also advocates as the “Ecological Law of Thermodynamics” or ELT (Integration of Ecosystem Theories: A Pattern, Kluwer Academic Publisher. This Law is still a hypothesis and can be tested. I disagree with the generalised way he uses the term “exergy” in his approach. Exergy is commonly defined as a measure of the work capacity of a system. According to the physicists Boltzmann information embodies energy. Jørgensen takes this into account when considering the “exergy” stored in ecosystems; hence, according to his way of calculating the genetic information of the organisms is the mayor contribution to “exergy”. I argue that energy has been embodied in the information during a historical process and that because of fundamental irreversibility this energy cannot be extracted again for work capacity. Moreover, other phenomena mentioned earlier by Ramon Margalef, demonstrate that proliferating information in biota shows uncoupling with respect to its embodied energy content according to the Boltzmann formula. In spite of these objections, some of Sven Erik Jørgensen’s core ideas are exiting and worthwhile testing. I place these within the context of the non-equilibrium thermodynamic theories on “dissipative systems” developed by the physicist Ilya Prigogine.

  13. Thermodynamics of Micellar Systems : Comparison of Mass Action and Phase Equilibrium Models for the Calculation of Standard Gibbs Energies of Micelle Formation

    NARCIS (Netherlands)

    Blandamer, Michael J.; Cullis, Paul M.; Soldi, L. Giorgio; Engberts, Jan B.F.N.; Kacperska, Anna; Os, Nico M. van

    1995-01-01

    Micellar colloids are distinguished from other colloids by their association-dissociation equilibrium in solution between monomers, counter-ions and micelles. According to classical thermodynamics, the standard Gibbs energy of formation of micelles at fixed temperature and pressure can be related to

  14. 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...

  15. Thermal non-equilibrium heat transfer in a porous cavity in the presence of bio-chemical heat source

    Directory of Open Access Journals (Sweden)

    Nazari Mohsen

    2015-01-01

    Full Text Available This paper is concerned with thermal non-equilibrium natural convection in a square cavity filled with a porous medium in the presence of a biomass which is transported in the cavity. The biomass can consume a secondary moving substrate. The physics of the presented problem is related to the analysis of heat and mass transfer in a composting process that controlled by internal heat generation. The intensity of the bio-heat source generated in the cavity is equal to the rate of consumption of the substrate by the biomass. It is assumed that the porous medium is homogeneous and isotropic. A two-field model that represents the fluid and solid phase temperature fields separately is used for energy equation. A simplified Monod model is introduced along with the governing equations to describe the consumption of the substrate by the biomass. In other word, the transient biochemical heat source which is dependent on a solute concentration is considered in the energy equations. Investigation of the biomass activity and bio-chemical heat generation in the case of thermal non-equilibrium assumption has not been considered in the literature and they are open research topics. The effects of thermal non-equilibrium model on heat transfer, flow pattern and biomass transfer are investigated. The effective parameters which have a direct impact on the generated bio-chemical heat source are also presented. The influences of the non-dimensional parameters such as fluid-to-solid conductivity ratio on the temperature distribution are presented.

  16. Post-CHF heat transfer: a non-equilibrium, relaxation model

    International Nuclear Information System (INIS)

    Jones, O.C. Jr.; Zuber, N.

    1977-01-01

    Existing phenomenological models of heat transfer in the non-equilibrium, liquid-deficient, dispersed flow regime can sometimes predict the thermal behavior fairly well but are quite complex, requiring coupled simultaneous differential equations to describe the axial gradients of mass and energy along with those of droplet acceleration and size. In addition, empirical relations are required to express the droplet breakup and increased effective heat transfer due to holdup. This report describes the development of a different approach to the problem. It is shown that the non-equilibrium component of the total energy can be expressed as a first order, inhomogeneous relaxation equation in terms of one variable coefficient termed the Superheat Relaxation number. A demonstration is provided to show that this relaxation number can be correlated using local variables in such a manner to allow the single non-equilibrium equation to accurately calculate the effects of mass velocity and heat flux along with tube length, diameter, and critical quality for equilibrium qualities from 0.13 to over 3.0

  17. Precise Control of Quantum Confinement in Cesium Lead Halide Perovskite Quantum Dots via Thermodynamic Equilibrium.

    Science.gov (United States)

    Dong, Yitong; Qiao, Tian; Kim, Doyun; Parobek, David; Rossi, Daniel; Son, Dong Hee

    2018-05-09

    Cesium lead halide (CsPbX 3 ) nanocrystals have emerged as a new family of materials that can outperform the existing semiconductor nanocrystals due to their superb optical and charge-transport properties. However, the lack of a robust method for producing quantum dots with controlled size and high ensemble uniformity has been one of the major obstacles in exploring the useful properties of excitons in zero-dimensional nanostructures of CsPbX 3 . Here, we report a new synthesis approach that enables the precise control of the size based on the equilibrium rather than kinetics, producing CsPbX 3 quantum dots nearly free of heterogeneous broadening in their exciton luminescence. The high level of size control and ensemble uniformity achieved here will open the door to harnessing the benefits of excitons in CsPbX 3 quantum dots for photonic and energy-harvesting applications.

  18. Future sustainable desalination using waste heat: kudos to thermodynamic synergy

    KAUST Repository

    Shahzad, Muhammad Wakil; Ng, Kim Choon; Thu, Kyaw

    2015-01-01

    There has been a plethora of published literature on thermally-driven adsorption desalination (AD) cycles for seawater desalination due to their favorable environmentally friendly attributes, such as the ability to operate with low-temperature heat

  19. Thermodynamic performance analysis and optimization of a solar-assisted combined cooling, heating and power system

    International Nuclear Information System (INIS)

    Wang, Jiangjiang; Lu, Yanchao; Yang, Ying; Mao, Tianzhi

    2016-01-01

    This study aims to present a thermodynamic performance analysis and to optimize the configurations of a hybrid combined cooling, heating and power (CCHP) system incorporating solar energy and natural gas. A basic natural gas CCHP system containing a power generation unit, a heat recovery system, an absorption cooling system and a storage tank is integrated with solar photovoltaic (PV) panels and/or a heat collector. Based on thermodynamic modeling, the thermodynamic performance, including energy and exergy efficiencies, under variable work conditions, such as electric load factor, solar irradiance and installation ratio, of the solar PV panels and heat collector is investigated and analyzed. The results of the energy supply side analysis indicate that the integration of solar PV into the CCHP system more efficiently improves the exergy efficiency, whereas the integration of a solar heat collector improves the energy efficiency. To match the building loads, the optimization method combined with the operation strategy is employed to optimize the system configurations to maximize the integrated benefits of energy and economic costs. The optimization results of demand–supply matching demonstrate that the integration of a solar heat collector achieves a better integrated performance than the solar PV integration in the specific case study. - Highlights: • Design a CCHP system integrated with solar PV and heat collector. • Present the energy and exergy analyses under variable work conditions. • Propose an optimization method of CCHP system for demand-supply matching.

  20. Equilibrium, kinetic and thermodynamic studies for adsorption of BTEX onto Ordered Mesoporous Carbon (OMC).

    Science.gov (United States)

    Konggidinata, Mas Iwan; Chao, Bing; Lian, Qiyu; Subramaniam, Ramalingam; Zappi, Mark; Gang, Daniel Dianchen

    2017-08-15

    Chemical and petrochemical industries produce substantial amounts of wastewater everyday. This wastewater contains organic pollutants such as benzene, toluene, ethylbenzene and xylenes (BTEX) that are toxic to human and aquatic life. Ordered Mesoporous Carbon (OMC), the adsorbent that possesses the characteristics of an ideal adsorbent was investigated to understand its properties and suitability for BTEX removal. Adsorption isotherms, adsorption kinetics, the effects of initial BTEX concentrations and temperatures on the adsorption process were studied. The OMCs were characterized using surface area and pore size analyzer, transmission electron microscopy (TEM), elemental analysis, thermogravimetric analysis (TGA) and fourier transform infrared spectroscopy (FTIR). The results suggested that the Langmuir Isotherm and Pseudo-Second-Order Models described the experimental data well. The thermodynamic parameters, Gibbs free energy (ΔG°), the enthalpy change (ΔH°) and the entropy change (ΔS°) of adsorption indicated that the adsorption processes were physical, endothermic, and spontaneous. In addition, OMC had 27% higher overall adsorption capacities compared to granular activated carbon (GAC). Copyright © 2017 Elsevier B.V. All rights reserved.

  1. Abnormal grain growth: a non-equilibrium thermodynamic model for multi-grain binary systems

    International Nuclear Information System (INIS)

    Svoboda, J; Fischer, F D

    2014-01-01

    Abnormal grain growth as the abrupt growth of a group of the largest grains in a multi-grain system is treated within the context of unequal retardation of grain growth due to the segregation of solute atoms from the bulk of the grains into the grain boundaries. During grain boundary migration, the segregated solute atoms are dragged under a small driving force or left behind the migrating grain boundary under a large driving force. Thus, the solute atoms in the grain boundaries of large grains, exhibiting a large driving force, can be released from the grain boundary. The mobility of these grain boundaries becomes significantly higher and abnormal grain growth is spontaneously provoked. The mean-field model presented here assumes that each grain is described by its grain radius and by its individual segregation parameter. The thermodynamic extremal principle is engaged to obtain explicit evolution equations for the radius and segregation parameter of each grain. Simulations of grain growth kinetics for various conditions of segregation with the same initial setting (100 000 grains with a given radius distribution) are presented. Depending on the diffusion coefficients of the solute in the grain boundaries, abnormal grain growth may be strongly or marginally pronounced. Solute segregation and drag can also significantly contribute to the stabilization of the grain structure. Qualitative agreement with several experimental results is reported. (paper)

  2. Phase equilibrium, crystallization behavior and thermodynamic studies of (m-dinitrobenzene + vanillin) eutectic system

    International Nuclear Information System (INIS)

    Singh, Jayram; Singh, N.B.

    2015-01-01

    Graphical abstract: The phase diagram of (m-dinitrobenzene + vanillin) system. - Highlights: • (Thaw + melt) method has shown that (m-dinitrobenzene + vanillin) system forms simple eutectic type phase diagram. • Excess thermodynamic functions showed that eutectic mixture is non-ideal. • The flexural strength measurements have shown that in eutectic mixture, crystallization occurs in an ordered way. - Abstract: The phase diagram of (m-dinitrobenzene + vanillin) system has been studied by the thaw melt method and an eutectic type phase diagram was obtained. The linear velocities of crystallization of the parent components and the eutectic mixture were determined. The enthalpy of fusion of the components and the eutectic mixture were determined using the differential scanning calorimetric technique. Excess Gibbs energy, excess entropy, excess enthalpy of mixing, and interfacial energy have been calculated. FTIR spectroscopic studies and flexural strength measurements were also made. The results have shown that the eutectic is a non-ideal mixture of the two components. On the basis of Jackson’s roughness parameter, it is predicted that the eutectic has faceted morphology

  3. Adsorption Properties of Doxorubicin Hydrochloride onto Graphene Oxide: Equilibrium, Kinetic and Thermodynamic Studies

    Directory of Open Access Journals (Sweden)

    Zonghua Wang

    2013-05-01

    Full Text Available Doxorubicin hydrochloride (DOX is an effective anticancer agent for leukemia chemotherapy, although its clinical use has been limited because of its side effects such as cardiotoxicity, alopecia, vomiting, and leucopenia. Attention has been focussed on developing new drug carriers with high adsorption capacity and rapid adsorption rate in order to minimize the side effects of DOX. Graphene oxide (GO, a new type of nanomaterial in the carbon family, was prepared by Hummers method and used as adsorbent for DOX from aqueous solution. The physico-chemical properties of GO were characterized by transmission electron microscope (TEM, Fourier transform infrared spectroscopy (FTIR, zeta potential, and element analysis. The adsorption properties of DOX on GO were studied as a function of contact time, adsorbent dosage, temperature and pH value. The results showed that GO had a maximum adsorption capacity of 1428.57 mg/g and the adsorption isotherm data fitted the Langmuir model. The kinetics of adsorption fits a pseudo-second-order model. The thermodynamic studies indicate that the adsorption of DOX on GO is spontaneous and endothermic in nature.

  4. Thermodynamic equilibrium of hydroxyacetic acid in pure and binary solvent systems

    International Nuclear Information System (INIS)

    Huang, Qiaoyin; Xie, Chuang; Li, Yang; Su, Nannan; Lou, Yajing; Hu, Xiaoxue; Wang, Yongli; Bao, Ying; Hou, Baohong

    2017-01-01

    Highlights: • Solubility of hydroxyacetic acid in mono-solvents and binary solvent mixtures was measured. • Modified Apelblat, NRTL and Wilson model were used to correlate the solubility data in pure solvents. • CNIBS/R-K and Jouyban-Acree model were used to correlate the solubility in binary solvent mixtures. • The mixing properties were calculated based on the NRTL model. - Abstract: The solubility of hydroxyacetic acid in five pure organic solvents and two binary solvent mixtures were experimentally measured from 273.15 K to 313.15 K at atmospheric pressure (p = 0.1 MPa) by using a dynamic method. The order of solubility in pure organic solvents is ethanol > isopropanol > n-butanol > acetonitrile > ethyl acetate within the investigated temperature range, except for temperature lower than 278 K where the solubility of HA in ethyl acetate is slightly larger than that in acetonitrile. Furthermore, the solubility data in pure solvents were correlated with the modified Apelblat model, NRTL model, and Wilson model and that in the binary solvents mixtures were fitted to the CNIBS/R-K model and Jouyban-Acree model. Finally, the mixing thermodynamic properties of hydroxyacetic acid in pure and binary solvent systems were calculated and discussed.

  5. Removal of Pb from Water by Adsorption on Apple Pomace: Equilibrium, Kinetics, and Thermodynamics Studies

    Directory of Open Access Journals (Sweden)

    Piar Chand

    2013-01-01

    Full Text Available The adsorption-influencing factors such as pH, dose, and time were optimized by batch adsorption study. A 0.8 g dose, 4.0 pH, and 80 min of contact time were optimized for maximum adsorption of Pb on AP. The adsorption isotherms (Langmuir and Freundlich were well fitted to the data obtained with values of qmax (16.39 mg/g; r2=0.985 and K (16.14 mg/g; r2=0.998, respectively. The kinetics study showed that lead adsorption follows the pseudo-second-order kinetics with correlation coefficient (r2 of 0.999 for all of the concentration range. FTIR spectra also showed that the major functional groups like polyphenols (–OH and carbonyl (–CO were responsible for Pb binding on AP. The thermodynamic parameters as ΔG, ΔH (33.54 J/mol, and ΔS (1.08 J/mol/K were also studied and indicate that the reaction is feasible, endothermic, and spontaneous in nature.

  6. Thermodynamic optimization with a finite number of heat intercepts for cryogenic systems with parameters stepwise continuous

    International Nuclear Information System (INIS)

    Bisio, G.

    1992-01-01

    The aim of this paper is to study the thermodynamic optimization by the variation of the heat transfer rate in a finite number of points through insulation for the general case of one-dimensional heat transfer (flat plate, hollow cylinder and hollow sphere) in systems, consisting of different materials in series, whose thermal conductivity is a function of temperature and of the coordinate in the heat flux direction. Besides, some parameters or their first derivative are assumed stepwise continuous. For this purpose, the results of some researches by the author pertinent to the properties of entropy production rate in the one-dimensional heat transfer are utilized

  7. Thermodynamic properties of xanthone: Heat capacities, phase-transition properties, and thermodynamic-consistency analyses using computational results

    International Nuclear Information System (INIS)

    Chirico, Robert D.; Kazakov, Andrei F.

    2015-01-01

    Highlights: • Heat capacities were measured for the temperature range (5 to 520) K. • The enthalpy of combustion was measured and the enthalpy of formation was derived. • Thermodynamic-consistency analysis resolved inconsistencies in literature enthalpies of sublimation. • An inconsistency in literature enthalpies of combustion was resolved. • Application of computational chemistry in consistency analysis was demonstrated successfully. - Abstract: Heat capacities and phase-transition properties for xanthone (IUPAC name 9H-xanthen-9-one and Chemical Abstracts registry number [90-47-1]) are reported for the temperature range 5 < T/K < 524. Statistical calculations were performed and thermodynamic properties for the ideal gas were derived based on molecular geometry optimization and vibrational frequencies calculated at the B3LYP/6-31+G(d,p) level of theory. These results are combined with sublimation pressures from the literature to allow critical evaluation of inconsistent enthalpies of sublimation for xanthone, also reported in the literature. Literature values for the enthalpy of combustion of xanthone are re-assessed, a revision is recommended for one result, and a new value for the enthalpy of formation of the ideal gas is derived. Comparisons with thermophysical properties reported in the literature are made for all other reported and derived properties, where possible

  8. Thermodynamic analysis of the effect of channel geometry on heat transfer in double-layered microchannel heat sinks

    International Nuclear Information System (INIS)

    Zhai, Yuling; Li, Zhouhang; Wang, Hua; Xu, Jianxin

    2017-01-01

    Highlights: • A novel geometry with rectangular and complex channels in each layer is presented. • It shows lower pressure drop and more uniform temperature distribution. • The essence of enhanced heat transfer is analyzed from thermodynamics. - Abstract: Novel double-layered microchannel heat sinks with different channel geometries in each layer (Structure 2 for short) are designed to reduce pressure drop and maintain good heat transfer performance, which is compared with structure 1 (the same of complex channel geometry in each layer). The effect of parallel flow, counter flow and different channel geometries on heat transfer is studied numerically. Moreover, the essence of heat transfer enhancement is analyzed by thermodynamics. On one hand, the synergy relationship between flow field and temperature field is analyzed by field synergy principle. On the other hand, the irreversibility of heat transfer is studied by transport efficiency of thermal energy. The results show that the temperature distribution of counter flow is more uniform than that of parallel flow. Furthermore, heat dissipation and pressure drop of structure 2 are both better and lower than that of structure 1. Form the viewpoint of temperature distribution, structure C2 (i.e., counter flow with rectangular channels in upper layer and complex channels in bottom layer) presents the most uniform bottom temperature for microelectronic cooling. However, comprehensive heat transfer performance of structure P2 (i.e., parallel flow with rectangular channels in upper layer and complex channels in bottom layer) shows the best from the viewpoint of thermodynamics. The reasons can be ascribed to the channel geometry of structure P2 can obviously improve the synergy relationship between temperature and velocity fields, reduce fluid temperature gradient and heat transfer irreversibility.

  9. Adsorption of rhodamine B by acid activated carbon-Kinetic, thermodynamic and equilibrium studies

    Directory of Open Access Journals (Sweden)

    Shanmugam Arivoli

    2009-08-01

    Full Text Available A carbonaceous adsorbent prepared from an indigenous waste by acid treatment was tested for its efficiency in removing Rhodamine B (RDB. The parameters studied include agitation time, initial dye concentration, carbon dose, pH and temperature. The adsorption followed first order kinetics and the rate is mainly controlled by intra-particle diffusion. Freundlich and Langmuir isotherm models were applied to the equilibrium data. The adsorption capacity (Qm obtained from the Langmuir isotherm plots were 40.161, 35.700, 38.462 and 37.979 mg/g respectively at an initial pH of 7.0 at 30, 40, 50 and 60 0C. The temperature variation study showed that the RDB adsorption is endothermic and spontaneous with increased randomness at the solid solution interface. Significant effect on adsorption was observed on varying the pH of the RDB solutions. Almost 85% removal of RDB was observed at 60 0C. The Langmuir and Freundlich isotherms obtained, positive ?H0 value, pH dependent results and desorption of dye in mineral acid suggest that the adsorption of RDB by Banana bark carbon involves physisorption mechanism.

  10. Comments on the compatibility of thermodynamic equilibrium conditions with lattice propagators

    Science.gov (United States)

    Canfora, Fabrizio; Giacomini, Alex; Pais, Pablo; Rosa, Luigi; Zerwekh, Alfonso

    2016-08-01

    In this paper the compatibility is analyzed of the non-perturbative equations of state of quarks and gluons arising from the lattice with some natural requirements for self-gravitating objects at equilibrium: the existence of an equation of state (namely, the possibility to define the pressure as a function of the energy density), the absence of superluminal propagation and Le Chatelier's principle. It is discussed under which conditions it is possible to extract an equation of state (in the above sense) from the non-perturbative propagators arising from the fits of the latest lattice data. In the quark case, there is a small but non-vanishing range of temperatures in which it is not possible to define a single-valued functional relation between density and pressure. Interestingly enough, a small change of the parameters appearing in the fit of the lattice quark propagator (of around 10 %) could guarantee the fulfillment of all the three conditions (keeping alive, at the same time, the violation of positivity of the spectral representation, which is the expected signal of confinement). As far as gluons are concerned, the analysis shows very similar results. Whether or not the non-perturbative quark and gluon propagators satisfy these conditions can have a strong impact on the estimate of the maximal mass of quark stars.

  11. Comments on the compatibility of thermodynamic equilibrium conditions with lattice propagators

    Energy Technology Data Exchange (ETDEWEB)

    Canfora, Fabrizio [Centro de Estudios Cientificos (CECs), Valdivia (Chile); Giacomini, Alex [Universidad Austral de Chile, Instituto de Ciencias Fisicas y Matematicas, Valdivia (Chile); Pais, Pablo [Centro de Estudios Cientificos (CECs), Valdivia (Chile); Universite Libre de Bruxelles and International Solvay Institutes, Physique Theorique et Mathematique, Brussels (Belgium); Rosa, Luigi [Universita di Napoli Federico II, Complesso Universitario di Monte S. Angelo, Dipartimento di Fisica, Naples (Italy); Complesso Universitario di Monte S. Angelo, Naples (Italy); INFN, Sezione di Napoli, Naples (Italy); Zerwekh, Alfonso [Universidad Tecnica Federico Santa Maria, Departamento de Fisica and Centro Cientifico-Tecnologico de Valparaiso, Valparaiso (Chile)

    2016-08-15

    In this paper the compatibility is analyzed of the non-perturbative equations of state of quarks and gluons arising from the lattice with some natural requirements for self-gravitating objects at equilibrium: the existence of an equation of state (namely, the possibility to define the pressure as a function of the energy density), the absence of superluminal propagation and Le Chatelier's principle. It is discussed under which conditions it is possible to extract an equation of state (in the above sense) from the non-perturbative propagators arising from the fits of the latest lattice data. In the quark case, there is a small but non-vanishing range of temperatures in which it is not possible to define a single-valued functional relation between density and pressure. Interestingly enough, a small change of the parameters appearing in the fit of the lattice quark propagator (of around 10 %) could guarantee the fulfillment of all the three conditions (keeping alive, at the same time, the violation of positivity of the spectral representation, which is the expected signal of confinement). As far as gluons are concerned, the analysis shows very similar results. Whether or not the non-perturbative quark and gluon propagators satisfy these conditions can have a strong impact on the estimate of the maximal mass of quark stars. (orig.)

  12. Comments on the compatibility of thermodynamic equilibrium conditions with lattice propagators

    International Nuclear Information System (INIS)

    Canfora, Fabrizio; Giacomini, Alex; Pais, Pablo; Rosa, Luigi; Zerwekh, Alfonso

    2016-01-01

    In this paper the compatibility is analyzed of the non-perturbative equations of state of quarks and gluons arising from the lattice with some natural requirements for self-gravitating objects at equilibrium: the existence of an equation of state (namely, the possibility to define the pressure as a function of the energy density), the absence of superluminal propagation and Le Chatelier's principle. It is discussed under which conditions it is possible to extract an equation of state (in the above sense) from the non-perturbative propagators arising from the fits of the latest lattice data. In the quark case, there is a small but non-vanishing range of temperatures in which it is not possible to define a single-valued functional relation between density and pressure. Interestingly enough, a small change of the parameters appearing in the fit of the lattice quark propagator (of around 10 %) could guarantee the fulfillment of all the three conditions (keeping alive, at the same time, the violation of positivity of the spectral representation, which is the expected signal of confinement). As far as gluons are concerned, the analysis shows very similar results. Whether or not the non-perturbative quark and gluon propagators satisfy these conditions can have a strong impact on the estimate of the maximal mass of quark stars. (orig.)

  13. Thermodynamic modeling of phases equilibrium in aqueous systems to recover potassium chloride from natural brines

    Directory of Open Access Journals (Sweden)

    Ruberlan Gomes da Silva

    2017-01-01

    Full Text Available Chemical fertilizers, such as potassium chloride, ammonium nitrate and other chemical products like sodium hydroxide and soda ash are produced from electrolyte solutions or brines with a high content of soluble salts. Some of these products are manufactured by fractional crystallization, when several salts are separated as solid phases with high purity (>90%. Due to the large global demand for potassium fertilizers, a good knowledge about the compositions of salts and brines is helpful to design an effective process. A thermodynamic model based on Pitzer and Harvie's model was used to predict the composition of crystallized salts after water removal by forced evaporation and cooling from multicomponent solutions or brines. Initially, the salts’ solubilities in binary systems (NaCl–H2O, KCl–H2O and MgCl2–H2O and ternary system (KCl–MgCl2–H2O were calculated at 20 °C and compared with literature data. Next, the model was compared to our experimental data on the quinary system NaCl–KCl–MgCl2–CaCl2–H2O system at 20 °C. The Pitzer and Harvie's model represented well both the binary and ternary systems. Besides, for the quinary system the fit was good for brine densities up to 1350 kg/m3. The models were used to estimate the chemical composition of the solutions and salts produced by fractional crystallization and in association with material balance to respond to issues related to the production rates in a solar pond containing several salts dissolved, for instance, NaCl, KCl, MgCl2 and CaCl2.

  14. Efficient removal of cadmium using magnetic multiwalled carbon nanotube nanoadsorbents: equilibrium, kinetic, and thermodynamic study

    Energy Technology Data Exchange (ETDEWEB)

    Pashai Gatabi, Maliheh; Milani Moghaddam, Hossain, E-mail: Milani@umz.ac.ir [University of Mazandaran, Soid State Physics Department (Iran, Islamic Republic of); Ghorbani, Mohsen [Babol Noshirvani University of Technology, Chemical Engineering Department (Iran, Islamic Republic of)

    2016-07-15

    Adsorptive potential of maghemite decorated multiwalled carbon nanotubes (MWCNTs) for the removal of cadmium ions from aqueous solution was investigated. The magnetic nanoadsorbent was synthesized using a versatile and cost effective chemical route. Structural, magnetic and surface charge properties of the adsorbent were characterized using FTIR, XRD, TEM, VSM analysis and pH{sub PZC} determination. Batch adsorption experiments were performed under varied system parameters such as pH, contact time, initial cadmium concentration and temperature. Highest cadmium adsorption was obtained at pH 8.0 and contact time of 30 min. Adsorption behavior was kinetically studied using pseudo first-order, pseudo second-order, and Weber–Morris intra particle diffusion models among which data were mostly correlated to pseudo second-order model. Adsorbate-adsorbent interactions as a function of temperature was assessed by Langmuir, Freundlich, Dubinin–Radushkevich (D-R) and Temkin isotherm models from which Freundlich model had the highest consistency with the data. The adsorption capacity increased with increasing temperature and maximum Langmuir’s adsorption capacity was found to be 78.81 mg g{sup −1} at 298 K. Thermodynamic parameters and activation energy value suggest that the process of cadmium removal was spontaneous and physical in nature, which lead to fast kinetics and high regeneration capability of the nanoadsorbent. Results of this work are of great significance for environmental applications of magnetic MWCNTs as promising adsorbent for heavy metals removal from aqueous solutions.Graphical Abstract.

  15. Kinetics and thermodynamics of aqueous Cu(II) adsorption on heat ...

    African Journals Online (AJOL)

    This study investigated the kinetics and thermodynamics of copper(II) removal from aqueous solutions using spent bleaching earth (SBE). The spent bleaching earth, a waste material from edible oil processing industries, was reactivated by heat treatment at 370 oC after residual oil extraction in excess methyl-ethyl ketone.

  16. Kinetic and thermodynamic analysis of ultra-high pressure and heat ...

    African Journals Online (AJOL)

    Purpose: To undertake comparative kinetic and thermodynamic analyses of the interaction of bovine serum albumin (BSA) with IgG pre-treated with ultra-high pressure (UHP) and moderate heat. Methods: BSA solutions were processed at 100 – 600 MPa and 25 – 40 °C. We applied an optical biosensor based on surface ...

  17. Relativistic thermodynamics of irreversible processes I. Heat conduction, diffusion, viscous flow and chemical reactions; formal part

    NARCIS (Netherlands)

    Kluitenberg, G.A.; Groot, S.R. de; Mazur, P.

    1953-01-01

    The relativistic thermodynamics of irreversible processes is developed for an isotropic mixture in which heat conduction, diffusion, viscous flow, chemical reactions and their cross-phenomena may occur. The four-vectors, representing the relative flows of matter, are defined in such a way that, in

  18. Equilibrium, kinetic and thermodynamic studies on the adsorption of m-cresol onto micro- and mesoporous carbon

    International Nuclear Information System (INIS)

    Kennedy, L. John; Vijaya, J. Judith; Sekaran, G.; Kayalvizhi, K.

    2007-01-01

    Investigations were conducted in batch mode to study the adsorption behaviour of m-cresol on a porous carbon prepared from rice husk (RHAC) by varying the parameters such as agitation time, m-cresol concentration (50-300 mg/l), pH (2.5-10) and temperature (293-323 K). Studies showed that the adsorption decreased with increase in pH and temperature. The isotherm data were fitted to Langmuir, Freundlich, and Dubinin-Radushkevic (D-R) models. The kinetic models such as pseudo-first-order, pseudo-second-order and intraparticle diffusion models were selected to understand the reaction pathways and mechanism of adsorption process. The thermodynamic equilibrium coefficients obtained at different temperatures were used to evaluate the thermodynamic constants ΔG o , ΔH o and ΔS o . The sorption process was found to be exothermic in nature (ΔH o : -23.46 to -25.40 kJ/mol) with a decrease in entropy (ΔS o : -19.44 to -35.87 J/(mol K)). The negative value of Gibbs free energy, ΔG o indicates that the adsorption occurs via a spontaneous process. The decrease in the value of -ΔG o from 17.70 to 13.54 kJ/mol with increase in pH and temperature indicates that the adsorption of m-cresol onto activated carbon is less favourable at higher temperature and pH range. The influence of mesopore and a possible mechanism of adsorption is also suggested

  19. Adsorption of Pb(II) ions from aqueous solution by native and activated bentonite: Kinetic, equilibrium and thermodynamic study

    Energy Technology Data Exchange (ETDEWEB)

    Kul, Ali Riza [Yuzuncu Yil University, Faculty of Art and Science, Department of Chemistry, 65080 Van (Turkey); Koyuncu, Huelya, E-mail: hkoyuncu@yyu.edu.tr [Forensic Medicine Foundation, Felek Street No. 45, 06300 Kecioren, Ankara (Turkey)

    2010-07-15

    In this study, the adsorption kinetics, equilibrium and thermodynamics of Pb(II) ions on native (NB) and acid activated (AAB) bentonites were examined. The specific surface areas, pore size and pore-size distributions of the samples were fully characterized. The adsorption efficiency of Pb(II) onto the NB and AAB was increased with increasing temperature. The kinetics of adsorption of Pb(II) ions was discussed using three kinetic models, the pseudo-first-order, the pseudo-second-order and the intra-particle diffusion model. The experimental data fitted very well the pseudo-second-order kinetic model. The initial sorption rate and the activation energy were also calculated. The activation energy of the sorption was calculated as 16.51 and 13.66 kJ mol{sup -1} for NB and AAB, respectively. Experimental results were also analysed by the Langmuir, Freundlich and Dubinin-Redushkevich (D-R) isotherm equations at different temperatures. R{sub L} separation factor for Langmuir and the n value for Freundlich isotherm show that Pb(II) ions are favorably adsorbed by NB and AAB. Thermodynamic quantities such as Gibbs free energy ({Delta}G), the enthalpy ({Delta}H) and the entropy change of sorption ({Delta}S) were determined as about -5.06, 10.29 and 0.017 kJ mol{sup -1} K{sup -1}, respectively for AAB. It was shown that the sorption processes were an endothermic reactions, controlled by physical mechanisms and spontaneously.

  20. Calculation of thermodynamic equilibrium between bcc disordered solid solutions U and Mo

    International Nuclear Information System (INIS)

    Alonso, Paula R.; Rubiolo, Gerardo H.

    2003-01-01

    There is actually an interest to develop a new fuel with higher density for research reactors. Fuel plates would be obtained by dispersion, a method that requires both a very dense fuel dispersant (>15.0 g U/cm 3 ) and a very high volume loading of the dispersant (>55%). Dispersants based in gamma (BCC) stabilized uranium alloys are being investigated, as they are able to reach uranium densities of 17.0 g U/cm 3 . Among them, we focus in U(Mo) bcc solid solutions with the addition of ternary elements to stabilize gamma phase. Transition metals, 4d and 5d, of groups VII and VIII are good candidates for the ternary alloy U - Mo - X. Their relative power to stabilize gamma phase seems to be in close relation with bonding energies between atoms in the alloy. A first approach to the calculation of these energies has been performed by the semi empiric method of Miedema where only bonds between pairs are considered, neglecting ternary and quaternary bonds. There is also a lack of information concerning solubilities of the ternary elements in the ternary cubic phase. In this work we aim to calculate bonding energies between atoms in the alloy using a cluster expansion of the formation energy (T=0 K) of a series of bcc ordered compounds in the systems U-Mo-X. Then the calculation of the equilibrium phase diagram by the Cluster Variation Method will be done (CVM). We show here the first part of the investigation devoted to calculation of phases equilibria in the U Mo system Formation energies of the ordered compounds were obtained by the first principles methods TB-LMTO-ASA and FP-LAPW. Another set of bonding energies was calculated in order to fit the known experimental diagram and new formation energies for the ordered compounds were derived from them. Discrepancies between both sets are discussed. (author)

  1. Local thermodynamic equilibrium and related metrological issues involving collisional-radiative model in laser-induced aluminum plasmas

    International Nuclear Information System (INIS)

    Travaille, G.; Peyrusse, O.; Bousquet, B.; Canioni, L.; Pierres, K. Michel-Le; Roy, S.

    2009-01-01

    We present a collisional-radiative approach of the theoretical analysis of laser-induced breakdown spectroscopy (LIBS) plasmas. This model, which relies on an optimized effective potential atomic structure code, was used to simulate a pure aluminum plasma. The description of aluminum involved a set of 220 atomic levels representative of three different stages of ionization (Al 0 , Al + and Al ++ ). The calculations were carried for stationary plasmas, with input parameters (n e and T e ) ranging respectively between 10 13-18 cm -3 and 0.3-2 eV. A comparison of our atomic data with some existing databases is made. The code was mainly developed to address the validity of the local thermodynamic equilibrium (LTE) assumption. For usual LIBS plasma parameters, we did not reveal a sizeable discrepancy of the radiative equilibrium of the plasma towards LTE. For cases where LTE was firmly believed to stand, the Boltzmann plot outputs of this code were used to check the physical accuracy of the Boltzmann temperature, as it is currently exploited in several calibration-free laser-induced breakdown spectroscopy (CF-LIBS) studies. In this paper, a deviation ranging between 10 and 30% of the measured Boltzmann temperature to the real excitation temperature is reported. This may be due to the huge dispersion induced on the line emissivities, on which the Boltzmann plots are based to extract this parameter. Consequences of this fact on the CF-LIBS procedure are discussed and further insights to be considered for the future are introduced.

  2. Structural analysis of equilibrium and ohmic heating coil assemblies for the TFTR

    International Nuclear Information System (INIS)

    Chattopadhyay, S.

    1975-10-01

    The structural adequacy of the equilibrium and ohmic heating coils and their support systems for the TFTR device has been investigated. The capability of the coils to span ribs of the support structure has been established. The support structure has been found to be effective in resisting the magnetic forces in the coils. The bands encircling the outboard coils and the band tensioning devices have been found to perform adequately. The analysis is based on October 1975 conceptual design

  3. Thermodynamic performance comparison between ORC and Kalina cycles for multi-stream waste heat recovery

    International Nuclear Information System (INIS)

    Wang, Yufei; Tang, Qikui; Wang, Mengying; Feng, Xiao

    2017-01-01

    Highlights: • Comparison between ORC and Kalina cycles (KC) for multi-stream waste heat recovery. • Divide waste heat into straight, convex and concave based on its composite curve. • Use heat ratio and temperature of the most point to show the feature of waste heat. • KC is suitable for straight and most concave heat, while ORC for convex one. - Abstract: Organic Rankine cycle (ORC) and Kalina cycle are the main technologies to recover waste heat for power generation. Up to now, many works dealing with the thermodynamic performance comparison between ORC and Kalina cycles are available, but these studies considered for heat recovery from a single heat source or stream. In the process industry, there are multiple waste heat streams, forming a complex heat source profile. In this paper, based on the simulation model developed in the Aspen Hysys software, the two cycles are calculated and compared. According to the waste heat composite curve, the multi-stream waste heat is divided into three kinds, straight, convex, and concave waste heat. Two parameters, the ratio of the heat above and below the most salient/concave point (R) and the temperature of the most point, are used to roughly express the feature of waste heat. With the efficiency from waste heat (exergy) to power as energy performance indicator, the calculation results for waste heat with maximum supply temperature 180 °C show that for straight and concave waste heat with R not less than 0.2, Kalina cycle is better than ORC, while for convex waste heat, ORC is preferable. The work can provide a reference to choose a suitable technology to recover low temperature waste heat for power generation in the process industry.

  4. Relationship between dynamical entropy and energy dissipation far from thermodynamic equilibrium

    Science.gov (United States)

    Green, Jason R.; Costa, Anthony B.; Grzybowski, Bartosz A.; Szleifer, Igal

    2013-01-01

    Connections between microscopic dynamical observables and macroscopic nonequilibrium (NE) properties have been pursued in statistical physics since Boltzmann, Gibbs, and Maxwell. The simulations we describe here establish a relationship between the Kolmogorov–Sinai entropy and the energy dissipated as heat from a NE system to its environment. First, we show that the Kolmogorov–Sinai or dynamical entropy can be separated into system and bath components and that the entropy of the system characterizes the dynamics of energy dissipation. Second, we find that the average change in the system dynamical entropy is linearly related to the average change in the energy dissipated to the bath. The constant energy and time scales of the bath fix the dynamical relationship between these two quantities. These results provide a link between microscopic dynamical variables and the macroscopic energetics of NE processes. PMID:24065832

  5. Thermodynamics

    International Nuclear Information System (INIS)

    Zanchini, E.

    1988-01-01

    The definition of energy, in thermodynamics, is dependent by starting operative definitions of the basic concepts of physics on which it rests, such as those of isolated systems, ambient of a system, separable system and set of separable states. Then the definition of energy is rigorously extended to open systems. The extension gives a clear physical meaning to the concept of energy difference between two states with arbitrary different compositions

  6. Statistical thermodynamics

    International Nuclear Information System (INIS)

    Lim, Gyeong Hui

    2008-03-01

    This book consists of 15 chapters, which are basic conception and meaning of statistical thermodynamics, Maxwell-Boltzmann's statistics, ensemble, thermodynamics function and fluctuation, statistical dynamics with independent particle system, ideal molecular system, chemical equilibrium and chemical reaction rate in ideal gas mixture, classical statistical thermodynamics, ideal lattice model, lattice statistics and nonideal lattice model, imperfect gas theory on liquid, theory on solution, statistical thermodynamics of interface, statistical thermodynamics of a high molecule system and quantum statistics

  7. Thermodynamics of the heating of titanium magnetite concentrate in the presence of different alkali salts

    International Nuclear Information System (INIS)

    Paunova, R.; Marinov, M.; Ivanov, J.

    2003-01-01

    Thermodynamics of the processes of heating of titanium magnetite concentrate in the presence of 6% Na 2 CO 3 , 6% Na 2 SO 4 and 6% NaCl has been studied using the EMF method and X-rays analysis. The experiments were carried out in the temperature range 973 K - 1273 K. Functional relationships as InP'o 2 = f(T) and EMF = f(T) for the processes taking place within the concentrate were described for a fixed temperature range. The X-ray and Moessbauer spectroscopy analysis of the end products of the mixture with 6% Na 2 CO 3 shows Fe 3 O 4 (51.31%), FeO (26.86%), Fe 2 O 3 (15.46%) and NaFeO 2 (6.38%). The free phases of vanadates can not be observed probably because they are formed in quantity less than 5%. So they can not be marked on the X-ray patterns. The X-ray analysis of the end products of the mixtures with Na 2 SO 4 and NaCl presents decreasing of the magnetite and wustite quantities because of hematite increasing. The oxygen partial pressure data of the mixture with 6% Na 2 CO 3 show that the galvanic cell registers not only Po 2 on the border Fe 3 O 4 ↔FeO and also Po 2 (CO 2 ) and Po 2 of the new phase (NaFeO 2 ). It was found out that the processes running by heating of the mixture with Na 2 SO4 are carried on the border Fe3O 4 ↔FeO at the temperatures above 1073 K. The experimental lgPo 2 results for mixture with 6% NaCl (Table 4) are lower than theoretically calculated for Fe 3 O 4 ↔FeO equilibrium. It is due to the fact that the chlorine is a strong oxidant and contributes to increase of the part of Fe 2 O 3 quantity. (Original)

  8. Third law of thermodynamics in the presence of a heat flux

    International Nuclear Information System (INIS)

    Camacho, J.

    1995-01-01

    Following a maximum entropy formalism, we study a one-dimensional crystal under a heat flux. We obtain the phonon distribution function and evaluate the nonequilibrium temperature, the specific heat, and the entropy as functions of the internal energy and the heat flux, in both the quantum and the classical limits. Some analogies between the behavior of equilibrium systems at low absolute temperature and nonequilibrium steady states under high values of the heat flux are shown, which point to a possible generalization of the third law in nonequilibrium situations

  9. Adsorptive removal of phenol from aqueous solutions on activated carbon prepared from tobacco residues: Equilibrium, kinetics and thermodynamics

    Energy Technology Data Exchange (ETDEWEB)

    Kilic, Murat; Apaydin-Varol, Esin [Department of Chemical Engineering, Anadolu University, Eskisehir 26470 (Turkey); Puetuen, Ayse E., E-mail: aeputun@anadolu.edu.tr [Department of Chemical Engineering, Anadolu University, Eskisehir 26470 (Turkey)

    2011-05-15

    This study consists of producing high surface area activated carbon from tobacco residues by chemical activation and its behavior of phenol removal from aqueous solutions. K{sub 2}CO{sub 3} and KOH were used as chemical activation agents and three impregnation ratios (50, 75 and 100 wt.%) were applied on biomass. Maximum BET surface areas of activated carbons were obtained from impregnation with 75 wt.% of K{sub 2}CO{sub 3} and 75 wt.% of KOH as 1635 and 1474 m{sup 2}/g, respectively. Optimum adsorption conditions were determined as a function of pH, adsorbent dosage, initial phenol concentration, contact time and temperature of solution for phenol removal. To describe the equilibrium isotherms the experimental data were analyzed by the Langmuir, Freundlich, Dubinin-Radushkevich (D-R) and Temkin isotherm models. Pseudo-first order, pseudo-second order and intraparticle diffusion kinetic models were used to find out the kinetic parameters and mechanism of adsorption process. The thermodynamic parameters such as {Delta}G{sup o}, {Delta}H{sup o} and {Delta}S{sup o} were calculated for predicting the nature of adsorption. According to the experimental results, activated carbon prepared from tobacco residue seems to be an effective, low-cost and alternative adsorbent precursor for the removal of phenol from aqueous solutions.

  10. On the biosorption, by brown seaweed, Lobophora variegata, of Ni(II) from aqueous solutions: equilibrium and thermodynamic studies.

    Science.gov (United States)

    Basha, Shaik; Jaiswar, Santlal; Jha, Bhavanath

    2010-09-01

    The biosorption equilibrium isotherms of Ni(II) onto marine brown algae Lobophora variegata, which was chemically-modified by CaCl(2) were studied and modeled. To predict the biosorption isotherms and to determine the characteristic parameters for process design, twenty-three one-, two-, three-, four- and five-parameter isotherm models were applied to experimental data. The interaction among biosorbed molecules is attractive and biosorption is carried out on energetically different sites and is an endothermic process. The five-parameter Fritz-Schluender model gives the most accurate fit with high regression coefficient, R (2) (0.9911-0.9975) and F-ratio (118.03-179.96), and low standard error, SE (0.0902-0.0.1556) and the residual or sum of square error, SSE (0.0012-0.1789) values to all experimental data in comparison to other models. The biosorption isotherm models fitted the experimental data in the order: Fritz-Schluender (five-parameter) > Freundlich (two-parameter) > Langmuir (two-parameter) > Khan (three-parameter) > Fritz-Schluender (four-parameter). The thermodynamic parameters such as DeltaG (0), DeltaH (0) and DeltaS (0) have been determined, which indicates the sorption of Ni(II) onto L. variegata was spontaneous and endothermic in nature.

  11. Kinetics, equilibrium and thermodynamic studies on biosorption of Ag(I) from aqueous solution by macrofungus Pleurotus platypus.

    Science.gov (United States)

    Das, Devlina; Das, Nilanjana; Mathew, Lazar

    2010-12-15

    Reports are available on silver binding capacity of some microorganisms. However, reports on the equilibrium studies on biosorption of silver by macrofungi are seldom known. The present study was carried out in a batch system using dead biomass of macrofungus Pleurotus platypus for the sorption of Ag(I). P. platypus exhibited the highest silver uptake of 46.7 mg g(-1) of biomass at pH 6.0 in the presence of 200 mg L(-1) Ag(I) at 20°C. Kinetic studies based on fractional power, zero order, first order, pseudo-first order, Elovich, second order and pseudo-second order rate expressions have been carried out. The results showed a very good compliance with the pseudo-first order model. The experimental data were analyzed using two parameter isotherms (Langmuir, Freundlich, Dubinin-Radushkevich, Temkin and Halsey), three parameter isotherms (Redlich-Peterson, Sips, Khan, Koble-Corrigan, Hill, Toth, Radke-Prausmitz, Jossens, Langmuir-Freundlich), four parameter isotherms (Weber-van Vliet, Fritz-Schlunder, Baudu) and five parameter isotherm (Fritz-Schlunder). Thermodynamic parameters of the biosorption (ΔG, ΔH and ΔS) were also determined. The present study confirmed that macrofungus P. platypus may be used as a cost effective efficient biosorbent for the removal of Ag(I) ions from aqueous solution. Copyright © 2010 Elsevier B.V. All rights reserved.

  12. Equilibrium, kinetic and thermodynamic studies on the adsorption of the toxins of Bacillus thuringiensis subsp. kurstaki by clay minerals

    Energy Technology Data Exchange (ETDEWEB)

    Fu Qingling; Deng Yali; Li Huishu; Liu Jie [Key Laboratory of Subtropical Agricultural Resource and Environment, Ministry of Agriculture, Huazhong Agricultural University, Wuhan, 430070 (China); Hu Hongqing, E-mail: hqhu@mail.hzau.edu.cn [Key Laboratory of Subtropical Agricultural Resource and Environment, Ministry of Agriculture, Huazhong Agricultural University, Wuhan, 430070 (China); Chen Shouwen [Key Laboratory of Subtropical Agricultural Resource and Environment, Ministry of Agriculture, Huazhong Agricultural University, Wuhan, 430070 (China); Sa Tongmin [Department of Agricultural Chemistry, College of Agriculture, Chungbuk National University, Cheongju, 361-763 (Korea, Republic of)

    2009-02-01

    The persistence of Bacillus thuringiensis (Bt) toxins in soil is further enhanced through association with soil particles. Such persistence may improve the effectiveness of controlling target pests, but impose a hazard to non-target organisms in soil ecosystems. In this study, the equilibrium adsorption of the Bt toxin by four clay minerals (montmorillonite, kaolinite, goethite, and silicon dioxide) was investigated, and the kinetic and thermodynamic parameters were calculated. The results showed that Bt toxin could be adsorbed easily by minerals, and the adsorption was much easier at low temperature than at high temperature at the initial concentration varying from 0 to 1000 mg L{sup -1}. The adsorption fitted well to both Langmuir and Freundlich isotherm models, but the Freundlich equation was more suitable. The pseudo-second-order (PSO) was the best application model to describe the adsorption kinetic. The adsorption process appeared to be controlled by chemical process, and the intra-particle diffusion was not the only rate-controlling step. The negative standard free energy ({Delta}{sub r}G{sub m}{sup {theta}}) values of the adsorption indicated that the adsorption of the Bt toxin by the minerals was spontaneous, and the changes of the standard enthalpy ({Delta}{sub r}H{sub m}{sup {theta}}) showed that the adsorption of the Bt toxin by montmorillonite was endothermic while the adsorption by the other three minerals was exothermic.

  13. Adsorption capacity of Curcuma longa for the removal of basic green 1 dye--equilibrium, kinetics and thermodynamic study.

    Science.gov (United States)

    Roopavathi, K V; Shanthakumar, S

    2016-09-01

    In the present study, Curcuma longa (turmeric plant) was used as an adsorbent to remove Basic Green 1 (BG) dye. Batch study was carried out to evaluate the adsorption potential of C. longa and influencing factors such as pH (4-10), adsorbent dose (0.2-5 g l-1), initial dye concentration (50-250 mg l-1) and temperature (30-50°C) on dye removal were analysed. The characterisation of adsorbent was carried out using fourier transform infrared (FTIR) spectroscopy, scanning electron microscopy (SEM) and Brunauer, Emmett and Teller (BET) method. Isotherm models that included Langmuir, Freundlich, Tempkin and Dubinin-Radushkevich, and kinetic models such as pseudo first order, pseudo second-order, Elovich and intraparticle diffusion models were studied. A maximum removal percentage (82.76%) of BG dye from aqueous solution was obtained with optimum conditions of pH 7, 1g l-1 adsorbent dose and 30°C temperature, for 100 mg l-1 initial dye concentration. The equilibrium and kinetic study revealed that the experimental data fitted suitably the Freundlich isotherm and Pseudo second order kinetic model. Thermodynamic analysis proved that adsorption system in this study was spontaneous, feasible and endothermic in nature.

  14. Roles of bulk viscosity on Rayleigh-Taylor instability: Non-equilibrium thermodynamics due to spatio-temporal pressure fronts

    Energy Technology Data Exchange (ETDEWEB)

    Sengupta, Tapan K., E-mail: tksen@iitk.ac.in; Bhole, Ashish; Shruti, K. S. [HPCL, Department of Aerospace Engineering, IIT Kanpur, Kanpur, UP (India); Sengupta, Aditi [Department of Engineering, University of Cambridge, Cambridge (United Kingdom); Sharma, Nidhi [Graduate Student, HPCL, Department of Aerospace Engineering, IIT Kanpur, Kanpur, UP (India); Sengupta, Soumyo [Department of Mechanical and Aerospace Engineering, Ohio State University, Columbus, Ohio 43210 (United States)

    2016-09-15

    Direct numerical simulations of Rayleigh-Taylor instability (RTI) between two air masses with a temperature difference of 70 K is presented using compressible Navier-Stokes formulation in a non-equilibrium thermodynamic framework. The two-dimensional flow is studied in an isolated box with non-periodic walls in both vertical and horizontal directions. The non-conducting interface separating the two air masses is impulsively removed at t = 0 (depicting a heaviside function). No external perturbation has been used at the interface to instigate the instability at the onset. Computations have been carried out for rectangular and square cross sections. The formulation is free of Boussinesq approximation commonly used in many Navier-Stokes formulations for RTI. Effect of Stokes’ hypothesis is quantified, by using models from acoustic attenuation measurement for the second coefficient of viscosity from two experiments. Effects of Stokes’ hypothesis on growth of mixing layer and evolution of total entropy for the Rayleigh-Taylor system are reported. The initial rate of growth is observed to be independent of Stokes’ hypothesis and the geometry of the box. Following this stage, growth rate is dependent on the geometry of the box and is sensitive to the model used. As a consequence of compressible formulation, we capture pressure wave-packets with associated reflection and rarefaction from the non-periodic walls. The pattern and frequency of reflections of pressure waves noted specifically at the initial stages are reflected in entropy variation of the system.

  15. Equilibrium, kinetic and thermodynamic studies on the adsorption of the toxins of Bacillus thuringiensis subsp. kurstaki by clay minerals

    International Nuclear Information System (INIS)

    Fu Qingling; Deng Yali; Li Huishu; Liu Jie; Hu Hongqing; Chen Shouwen; Sa Tongmin

    2009-01-01

    The persistence of Bacillus thuringiensis (Bt) toxins in soil is further enhanced through association with soil particles. Such persistence may improve the effectiveness of controlling target pests, but impose a hazard to non-target organisms in soil ecosystems. In this study, the equilibrium adsorption of the Bt toxin by four clay minerals (montmorillonite, kaolinite, goethite, and silicon dioxide) was investigated, and the kinetic and thermodynamic parameters were calculated. The results showed that Bt toxin could be adsorbed easily by minerals, and the adsorption was much easier at low temperature than at high temperature at the initial concentration varying from 0 to 1000 mg L -1 . The adsorption fitted well to both Langmuir and Freundlich isotherm models, but the Freundlich equation was more suitable. The pseudo-second-order (PSO) was the best application model to describe the adsorption kinetic. The adsorption process appeared to be controlled by chemical process, and the intra-particle diffusion was not the only rate-controlling step. The negative standard free energy (Δ r G m θ ) values of the adsorption indicated that the adsorption of the Bt toxin by the minerals was spontaneous, and the changes of the standard enthalpy (Δ r H m θ ) showed that the adsorption of the Bt toxin by montmorillonite was endothermic while the adsorption by the other three minerals was exothermic.

  16. Removal of phenol from aqueous solutions by adsorption onto organomodified Tirebolu bentonite: Equilibrium, kinetic and thermodynamic study

    Energy Technology Data Exchange (ETDEWEB)

    Senturk, Hasan Basri; Ozdes, Duygu; Gundogdu, Ali; Duran, Celal [Department of Chemistry, Karadeniz Technical University, Faculty of Arts and Sciences, 61080 Trabzon (Turkey); Soylak, Mustafa, E-mail: soylak@erciyes.edu.tr [Department of Chemistry, Erciyes University, Faculty of Arts and Sciences, 38039 Kayseri (Turkey)

    2009-12-15

    A natural bentonite modified with a cationic surfactant, cetyl trimethylammonium bromide (CTAB), was used as an adsorbent for removal of phenol from aqueous solutions. The natural and modified bentonites (organobentonite) were characterized with some instrumental techniques (FTIR, XRD and SEM). Adsorption studies were performed in a batch system, and the effects of various experimental parameters such as solution pH, contact time, initial phenol concentration, organobentonite concentration, and temperature, etc. were evaluated upon the phenol adsorption onto organobentonite. Maximum phenol removal was observed at pH 9.0. Equilibrium was attained after contact of 1 h only. The adsorption isotherms were described by Langmuir and Freundlich isotherm models, and both model fitted well. The monolayer adsorption capacity of organobentonite was found to be 333 mg g{sup -1}. Desorption of phenol from the loaded adsorbent was achieved by using 20% acetone solution. The kinetic studies indicated that the adsorption process was best described by the pseudo-second-order kinetics (R{sup 2} > 0.99). Thermodynamic parameters including the Gibbs free energy ({Delta}G{sup o}), enthalpy ({Delta}H{sup o}), and entropy ({Delta}S{sup o}) were also calculated. These parameters indicated that adsorption of phenol onto organobentonite was feasible, spontaneous and exothermic in the temperature range of 0-40 {sup o}C.

  17. Removal of phenol from aqueous solutions by adsorption onto organomodified Tirebolu bentonite: Equilibrium, kinetic and thermodynamic study

    International Nuclear Information System (INIS)

    Senturk, Hasan Basri; Ozdes, Duygu; Gundogdu, Ali; Duran, Celal; Soylak, Mustafa

    2009-01-01

    A natural bentonite modified with a cationic surfactant, cetyl trimethylammonium bromide (CTAB), was used as an adsorbent for removal of phenol from aqueous solutions. The natural and modified bentonites (organobentonite) were characterized with some instrumental techniques (FTIR, XRD and SEM). Adsorption studies were performed in a batch system, and the effects of various experimental parameters such as solution pH, contact time, initial phenol concentration, organobentonite concentration, and temperature, etc. were evaluated upon the phenol adsorption onto organobentonite. Maximum phenol removal was observed at pH 9.0. Equilibrium was attained after contact of 1 h only. The adsorption isotherms were described by Langmuir and Freundlich isotherm models, and both model fitted well. The monolayer adsorption capacity of organobentonite was found to be 333 mg g -1 . Desorption of phenol from the loaded adsorbent was achieved by using 20% acetone solution. The kinetic studies indicated that the adsorption process was best described by the pseudo-second-order kinetics (R 2 > 0.99). Thermodynamic parameters including the Gibbs free energy (ΔG o ), enthalpy (ΔH o ), and entropy (ΔS o ) were also calculated. These parameters indicated that adsorption of phenol onto organobentonite was feasible, spontaneous and exothermic in the temperature range of 0-40 o C.

  18. Use of the SSF equations in the Kojima-Moon-Ochi thermodynamic consistency test of isothermal vapour-liquid equilibrium data

    Directory of Open Access Journals (Sweden)

    SLOBODAN P. SERBANOVIC

    2000-12-01

    Full Text Available The Kojima-Moon-Ochi (KMO thermodynamic consistency test of vapour–liquid equilibrium (VLE measurements for 32 isothermal data sets of binary systems of various complexity was applied using two fitting equations: the Redlich-Kister equation and the Sum of Symmetrical Functions. It was shown that the enhanced reliability of the fitting of the experimental data can change the conclusions drawn on their thermodynamic consistency in those cases of VLE data sets that are estimated to be near the border of consistency.

  19. Non-Equilibrium Thermodynamic Analysis of Double Diffusive, Nanofluid Forced Convection in Catalytic Microreactors with Radiation Effects

    Directory of Open Access Journals (Sweden)

    Lilian Govone

    2017-12-01

    Full Text Available This paper presents a theoretical investigation of the second law performance of double diffusive forced convection in microreactors with the inclusion of nanofluid and radiation effects. The investigated microreactors consist of a single microchannel, fully filled by a porous medium. The transport of heat and mass are analysed by including the thick walls and a first order, catalytic chemical reaction on the internal surfaces of the microchannel. Two sets of thermal boundary conditions are considered on the external surfaces of the microchannel; (1 constant temperature and (2 constant heat flux boundary condition on the lower wall and convective boundary condition on the upper wall. The local thermal non-equilibrium approach is taken to thermally analyse the porous section of the system. The mass dispersion equation is coupled with the transport of heat in the nanofluid flow through consideration of Soret effect. The problem is analytically solved and illustrations of the temperature fields, Nusselt number, total entropy generation rate and performance evaluation criterion (PEC are provided. It is shown that the radiation effect tends to modify the thermal behaviour within the porous section of the system. The radiation parameter also reduces the overall temperature of the system. It is further demonstrated that, expectedly, the nanoparticles reduce the temperature of the system and increase the Nusselt number. The total entropy generation rate and consequently PEC shows a strong relation with radiation parameter and volumetric concentration of nanoparticles.

  20. Thermodynamic evaluation of CHP (combined heat and power) plants integrated with installations of coal gasification

    International Nuclear Information System (INIS)

    Ziębik, Andrzej; Malik, Tomasz; Liszka, Marcin

    2015-01-01

    Integration of a CHP steam plant with an installation of coal gasification and gas turbine leads to an IGCC-CHP (integrated gasification combined cycle-combined heat and power). Two installations of coal gasification have been analyzed, i.e. pressurized entrained flow gasifier – case 1 and pressurized fluidized bed gasifier with CO_2 recirculation – case 2. Basing on the results of mathematical modelling of an IGCC-CHP plant, the algorithms of calculating typical energy indices have been derived. The following energy indices are considered, i.e. coefficient of heat performance and relative savings of chemical energy of fuels. The results of coefficients of heat performance are contained between 1.87 and 2.37. Values exceeding 1 are thermodynamically justified because the idea of cogeneration of heat and electricity based on combining cycles of the heat engine and heat pump the efficiency of which exceeds 1. Higher values concerning waste heat replace more thermodynamically effective sources of heat in CHP plants. Relative savings of the chemical energy of fuels are similar in both cases of IGCC-CHP plants and are contained between the lower value of the CHP (combined heat and power) plants fuelled with coal and higher value of CHP plants fired with natural gas. - Highlights: • Energy savings of fuel is an adequate measure of cogeneration. • Relative energy savings of IGCC-CHP is near the result of a gas and steam CHP. • COHP (coefficient of heat performance) can help to divide fuel between heat fluxes. • Higher values of COHP in the case of waste heat recovery result from the lower thermal parameters.

  1. A statistical model for instable thermodynamical systems

    International Nuclear Information System (INIS)

    Sommer, Jens-Uwe

    2003-01-01

    A generic model is presented for statistical systems which display thermodynamic features in contrast to our everyday experience, such as infinite and negative heat capacities. Such system are instable in terms of classical equilibrium thermodynamics. Using our statistical model, we are able to investigate states of instable systems which are undefined in the framework of equilibrium thermodynamics. We show that a region of negative heat capacity in the adiabatic environment, leads to a first order like phase transition when the system is coupled to a heat reservoir. This phase transition takes place without a phase coexistence. Nevertheless, all intermediate states are stable due to fluctuations. When two instable system are brought in thermal contact, the temperature of the composed system is lower than the minimum temperature of the individual systems. Generally, the equilibrium states of instable system cannot be simply decomposed into equilibrium states of the individual systems. The properties of instable system depend on the environment, ensemble equivalence is broken

  2. Computing Properties Of Chemical Mixtures At Equilibrium

    Science.gov (United States)

    Mcbride, B. J.; Gordon, S.

    1995-01-01

    Scientists and engineers need data on chemical equilibrium compositions to calculate theoretical thermodynamic properties of chemical systems. Information essential in design and analysis of such equipment as compressors, turbines, nozzles, engines, shock tubes, heat exchangers, and chemical-processing equipment. CET93 is general program that calculates chemical equilibrium compositions and properties of mixtures for any chemical system for which thermodynamic data are available. Includes thermodynamic data for more than 1,300 gaseous and condensed species and thermal-transport data for 151 gases. Written in FORTRAN 77.

  3. Heat recovery from Diesel engines: A thermodynamic comparison between Kalina and ORC cycles

    International Nuclear Information System (INIS)

    Bombarda, Paola; Invernizzi, Costante M.; Pietra, Claudio

    2010-01-01

    In the context of heat recovery for electric power generation, Kalina cycle (a thermodynamic cycle using as working fluid a mixture of water and ammonia) and Organic Rankine Cycle (ORC) represent two different eligible technologies. In this work a comparison between the thermodynamic performances of Kalina cycle and an ORC cycle, using hexamethyldisiloxane as working fluid, was conducted for the case of heat recovery from two Diesel engines, each one with an electrical power of 8900 kWe. The maximum net electric power that can be produced exploiting the heat source constituted by the exhaust gases mass flow (35 kg/s for both engines, at 346 deg. C) was calculated for the two thermodynamic cycles. Owing to the relatively low useful power, for the Kalina cycle a relatively simple plant layout was assumed. Supposing reasonable design parameters and a logarithmic mean temperature difference in the heat recovery exchanger of 50 deg. C, a net electric power of 1615 kW and of 1603 kW respectively for the Kalina and for the ORC cycle was calculated. Although the obtained useful powers are actually equal in value, the Kalina cycle requires a very high maximum pressure in order to obtain high thermodynamic performances (in our case, 100 bar against about 10 bar for the ORC cycle). So, the adoption of Kalina cycle, at least for low power level and medium-high temperature thermal sources, seems not to be justified because the gain in performance with respect to a properly optimized ORC is very small and must be obtained with a complicated plant scheme, large surface heat exchangers and particular high pressure resistant and no-corrosion materials.

  4. Unified geometric description of black hole thermodynamics

    International Nuclear Information System (INIS)

    Alvarez, Jose L.; Quevedo, Hernando; Sanchez, Alberto

    2008-01-01

    In the space of thermodynamic equilibrium states we introduce a Legendre invariant metric which contains all the information about the thermodynamics of black holes. The curvature of this thermodynamic metric becomes singular at those points where, according to the analysis of the heat capacities, phase transitions occur. This result is valid for the Kerr-Newman black hole and all its special cases and, therefore, provides a unified description of black hole phase transitions in terms of curvature singularities.

  5. Thermodynamic investigation of waste heat driven desalination unit based on humidification dehumidification (HDH) processes

    International Nuclear Information System (INIS)

    He, W.F.; Xu, L.N.; Han, D.; Gao, L.; Yue, C.; Pu, W.H.

    2016-01-01

    Highlights: • HDH desalination system powered by waste heat is proposed. • Performance of the desalination unit and the relevant heat recovery effect is calculated. • Sensitive analysis of the performance for the HDH desalination system is investigated. • Mathematical model based on the first and second laws of thermodynamics is established. - Abstract: Humidification dehumidification (HDH) technology is an effective pattern to separate freshwater from seawater or brackish water. In this paper, a closed-air open-water (CAOW) desalination unit coupled with plate heat exchangers (PHEs) is applied to recover the waste heat from the gas exhaust. Sensitivity analysis for the HDH desalination unit as well as the PHEs from the key parameters including the top and initial temperature of the seawater, operation pressure, and the terminal temperature difference (TTD) of the PHEs are accomplished, and the corresponding performance of the whole HDH desalination system is calculated and presented. The simulation results show that the balance condition of the dehumidifier is allowed by the basic thermodynamic laws, followed by a peak value of gained-output-ratio (GOR) and a bottom value of total specific entropy generation. It is concluded that excellent results including the system performance, heat recovery effect and investment of the PHEs can be simultaneously obtained with a low top temperature, while the obtained desalination performance and the heat recovery effect from other measures are always conflicting. Different from other parameters of the desalination unit, the terminal temperature difference of the PHEs has little influences on the final value of GOR.

  6. A Laser Induced Breakdown Spectroscopy application based on Local Thermodynamic Equilibrium assumption for the elemental analysis of alexandrite gemstone and copper-based alloys

    Energy Technology Data Exchange (ETDEWEB)

    De Giacomo, A. [Department of Chemistry, University of Bari, Via Orabona 4, 70126 Bari (Italy); Institute of Inorganic Methodologies and Plasmas - CNR, U.O.S. Bari, Via Amendola 122/D, 70126 Bari (Italy); Dell' Aglio, M. [Institute of Inorganic Methodologies and Plasmas - CNR, U.O.S. Bari, Via Amendola 122/D, 70126 Bari (Italy); Gaudiuso, R., E-mail: rosalba.gaudiuso@ba.imip.cnr.it [Institute of Inorganic Methodologies and Plasmas - CNR, U.O.S. Bari, Via Amendola 122/D, 70126 Bari (Italy); Santagata, A. [Institute of Inorganic Methodologies and Plasmas - CNR, U.O.S. Potenza, Via S. Loja, Zona Ind., 85050 Tito Scalo (PZ) (Italy); Senesi, G.S. [Institute of Inorganic Methodologies and Plasmas - CNR, U.O.S. Bari, Via Amendola 122/D, 70126 Bari (Italy); Rossi, M.; Ghiara, M.R. [Department of Earth Sciences, University of Naples ' Federico II' , Via Mezzocannone 8, 80134 Naples (Italy); Capitelli, F. [Institute of Crystallography - CNR, Via Salaria Km 29.300, 00015 Monterotondo (Roma) (Italy); De Pascale, O. [Institute of Inorganic Methodologies and Plasmas - CNR, U.O.S. Bari, Via Amendola 122/D, 70126 Bari (Italy)

    2012-04-04

    Graphical abstract: Self-calibrated analytical techniques based on the approximation of Local Thermodynamic Equilibrium (LTE) have been employed for the analysis of gemstones and copper-based alloys by LIBS (Laser Induced Breakdown Spectroscopy), with a special focus on LTE conditions in laser induced plasmas. Highlights: Black-Right-Pointing-Pointer Discussion of Local Thermodynamic Equilibrium (LTE) condition in laser-induced plasmas. Black-Right-Pointing-Pointer LIBS enables elemental analysis with self-calibrated LTE-based methods. Black-Right-Pointing-Pointer Be detection in alexandrite gemstone is made possible by LIBS. - Abstract: Laser Induced Breakdown Spectroscopy (LIBS) is an appealing technique to study laser-induced plasmas (LIPs), both from the basic diagnostics point of view and for analytical applications. LIPs are complex dynamic systems, expanding at supersonic velocities and undergoing a transition between different plasma regimes. If the Local Thermodynamic Equilibrium (LTE) condition is valid for such plasmas, several analytical methods can be employed and fast quantitative analyses can be performed on a variety of samples. In the present paper, a discussion about LTE is carried out and an innovative application to the analysis of the alexandrite gemstone is presented. In addition, a study about the influence of plasma parameters on the performance of LTE-based methods is reported for bronze and brass targets.

  7. Thermodynamic analysis of a thermally operated cascade sorption heat pump for continuous cold generation

    Energy Technology Data Exchange (ETDEWEB)

    Muthukumar, P.; Lakshmi, D.V.N. [Department of Mechanical Engineering, Indian Institute of Technology, Guwahati – 781039 (India)

    2013-07-01

    In this paper, the thermodynamic analysis of a cascade sorption system consists of a two-stage metal hydride heat pump as topping cycle and a single-stage lithium bromide water system as bottom cycle is presented. The effects of various operating temperatures such as driving heat, heat release and refrigeration temperatures, and design parameters such as ratio of metal hydride mass to reactor mass and sensible heat exchange factor on the combined coefficient of performance (COP) of the cascade cycle, and specific cooling power (SCP) and total cold output of the metal hydride heat pump cycle are presented. It is observed that the combined COP is found to increase with heat release and refrigeration temperatures and however, decreases with driving heat temperature. Increase of sensible heat exchange factor improves the system performances significantly. Reduction in mass ratio from 0.5 to 0.1 improves the combined COP of the cascade system by about 10 %. The maximum predicted combined COP of the system is about 1.66 at the driving heat, heat release and refrigeration temperatures of 270 deg C, 125 deg C and 12deg C, respectively.

  8. An experimental and thermodynamic equilibrium investigation of the Pb, Zn, Cr, Cu, Mn and Ni partitioning during sewage sludge incineration.

    Science.gov (United States)

    Liu, Jingyong; Fu, Jiewen; Ning, Xun'an; Sun, Shuiyu; Wang, Yujie; Xie, Wuming; Huang, Shaosong; Zhong, Sheng

    2015-09-01

    The effects of different chlorides and operational conditions on the distribution and speciation of six heavy metals (Pb, Zn, Cr, Cu, Mn and Ni) during sludge incineration were investigated using a simulated laboratory tubular-furnace reactor. A thermodynamic equilibrium investigation using the FactSage software was performed to compare the experimental results. The results indicate that the volatility of the target metals was enhanced as the chlorine concentration increased. Inorganic-Cl influenced the volatilization of heavy metals in the order of Pb>Zn>Cr>Cu>Mn>Ni. However, the effects of organic-Cl on the volatility of Mn, Pb and Cu were greater than the effects on Zn, Cr and Ni. With increasing combustion temperature, the presence of organic-Cl (PVC) and inorganic-Cl (NaCl) improved the transfer of Pb and Zn from bottom ash to fly ash or fuse gas. However, the presence of chloride had no obvious influence on Mn, Cu and Ni. Increased retention time could increase the volatilization rate of heavy metals; however, this effect was insignificant. During the incineration process, Pb readily formed PbSiO4 and remained in the bottom ash. Different Pb compounds, primarily the volatile PbCl2, were found in the gas phase after the addition of NaCl; the dominant Pb compounds in the gas phase after the addition of PVC were PbCl2, Pb(ClO4)2 and PbCl2O4. Copyright © 2015. Published by Elsevier B.V.

  9. Thermodynamic equilibrium model to predict the cobalt distribution coefficient in the CoCl2--HCl--H2O--TBP liquid--liquid extraction system

    International Nuclear Information System (INIS)

    Nevarez, M.; Bautista, R.G.

    1976-01-01

    The development of a thermodynamic equilibrium model to predict the cobalt distribution coefficient in the CoCl 2 -HCl-H 2 O-TBP system is described. The model makes use of the various aqueous phase cobaltous chloride complexes stoichiometric stability constants expressed as their degree of formation, their mechanism of extraction into the organic phase, and the equilibrium constant for the extraction reaction. The model was verified by the good agreement between the calculated cobalt distribution coefficients and those obtained experimentally both in the present study and published by other investigators. The optimum extraction of cobalt by the TBP occurred at an HCl equilibrium aqueous place concentration between 8.5 and 9.5M. The development of efficient procedures for the separation and concentration of important industrial metals from their aqueous solutions by liquid-liquid extraction has recently been given impetus by the realization of an impending shortage of energy and mineral resources. Liquid-liquid extraction is one of the few methods by which it is possible to quantitatively separate elements which are similar in properties. The use of liquid-liquid extraction to separate cobalt and nickel, which very frequently occur in nature together, is an important separation problem in nonferrous metallurgy. There is some fundamental information available in the chemical literature regarding the mechanism and equilibrium thermodynamic properties of selected liquid-liquid extraction systems. This research effort shows how this available information can be utilized to improve existing separation and concentration theory and technique. The development and application of a thermodynamic equilibrium model for describing the liquid-liquid extraction of cobaltous chloride from aqueous HCl solutions by tributyl phosphate (TBP) using experimental data obtained in this investigation and from the literature are presented

  10. A thermodynamic and heat transfer model for LNG ageing during ship transportation. Towards an efficient boil-off gas management

    Science.gov (United States)

    Krikkis, Rizos N.

    2018-06-01

    A non-equilibrium thermodynamic and heat transfer model for LNG ageing during ship transportation has been developed based on experimental data. The measurements reveal that the liquid temperature remains nearly constant, whereas significant variations are observed for the gas temperature. The measurement of the liquid temperature along the tank height suggests that a small scale rollover phenomenon may have taken place in one cargo tank. A time dependent heat transfer mechanism has been considered by taking into account the temperature variations of the atmospheric air, the seawater and the cofferdam environment which affect the cargo tanks. An important finding is that the evaporation rate (boil-of rate) is forced to follow the fuel flow consumption profile imposed by the vessel's propulsion system in order to match the tank pressure and volume constraints. The theoretical model is favorably compared to a comprehensive set on per hour basis of on board measurements of cargo temperatures and pressures, recorded during laden voyages, providing a better understanding of the underlying processes involved. The dominant role of the fuel consumption on the evaporation rate may be utilized in order to devise an efficient cargo management strategy during the laden voyage.

  11. Thermodynamic evaluation of the Kalina split-cycle concepts for waste heat recovery applications

    International Nuclear Information System (INIS)

    Nguyen, Tuong-Van; Knudsen, Thomas; Larsen, Ulrik; Haglind, Fredrik

    2014-01-01

    The Kalina split-cycle is a thermodynamic process for converting thermal energy into electrical power. It uses an ammonia–water mixture as a working fluid (like a conventional Kalina cycle) and has a varying ammonia concentration during the pre-heating and evaporation steps. This second feature results in an improved match between the heat source and working fluid temperature profiles, decreasing the entropy generation in the heat recovery system. The present work compares the thermodynamic performance of this power cycle with the conventional Kalina process, and investigates the impact of varying boundary conditions by conducting an exergy analysis. The design parameters of each configuration were determined by performing a multi-variable optimisation. The results indicate that the Kalina split-cycle with reheat presents an exergetic efficiency by 2.8% points higher than a reference Kalina cycle with reheat, and by 4.3% points without reheat. The cycle efficiency varies by 14% points for a variation of the exhaust gas temperature of 100 °C, and by 1% point for a cold water temperature variation of 30 °C. This analysis also pinpoints the large irreversibilities in the low-pressure turbine and condenser, and indicates a reduction of the exergy destruction by about 23% in the heat recovery system compared to the baseline cycle. - Highlights: • The thermodynamic performance of the Kalina split-cycle is assessed. • The Kalina split-cycle is compared to the Kalina cycle, with and without reheat. • An exergy analysis is performed to evaluate its thermodynamic performance. • The impact of varying boundary conditions is investigated. • The Kalina split-cycle displays high exergetic efficiency for low- and medium-temperature applications

  12. Heat and fluid flow during rapid solidification of non-equilibrium materials

    International Nuclear Information System (INIS)

    Negli, S.C.; Eddingfield, D.L.; Brower, W.E. Jr.

    1990-01-01

    Rapid solidification technology (RST) is an advanced solidification process which is being utilized to produce non-equilibrium structures with properties not previously available with conventionally cast materials. An iron based alloy rapidly quenched to form a metallic glass is being installed on a large scale in electric power transformers where it cuts heat losses dramatically. The formation of a non-equilibrium structure usually requires a cooling rate of at least a million degrees per second. Achieving this high a cooling rate depends not only on the heat transfer conditions during the quenching process, but also on the fluid flow conditions in the molten metal before and during solidification. This paper presents a model of both heat and fluid flow during RST by the hammer and anvil method. The symmetry of two sided cooling permits analysis which is still applicable to the one sided cooling that occurs during melt spinning, the prevalent method of RST. The heat flow is modeled as one dimensional, normal to the quench surface. Previous models have shown the heat flow in the plane of the quench surface not to be significant. The fluid flow portion of the model utilizes the squeeze film solution for flow between two parallel flat plates. The model predicts the effects of superheat of the melt and of the quench hammer speed upon cooling rate during the formation of nonequilibrium phases. An unexpected result is that increased superheat results in much higher cooling rates, due to fluid flow before a potential transformation would take place; this enhanced liquid metal flow results in a thinner section casting which in turn has a dominant effect on the cooling rate. The model also predicts an expanded regime of Newtonian (interface controlled) cooling by about a factor of ten as compared to previous model of RST

  13. Ultrafast electron diffraction from non-equilibrium phonons in femtosecond laser heated Au films

    Energy Technology Data Exchange (ETDEWEB)

    Chase, T. [Stanford Institute for Materials and Energy Sciences, SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, California 94025 (United States); Department of Applied Physics, Stanford University, Stanford, California 94305 (United States); Trigo, M.; Reid, A. H.; Dürr, H. A. [Stanford Institute for Materials and Energy Sciences, SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, California 94025 (United States); Li, R.; Vecchione, T.; Shen, X.; Weathersby, S.; Coffee, R.; Hartmann, N.; Wang, X. J. [SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, California 94025 (United States); Reis, D. A. [Stanford Institute for Materials and Energy Sciences, SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, California 94025 (United States); Department of Applied Physics, Stanford University, Stanford, California 94305 (United States); PULSE Institute, SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, California 94025 (United States)

    2016-01-25

    We use ultrafast electron diffraction to detect the temporal evolution of non-equilibrium phonons in femtosecond laser-excited ultrathin single-crystalline gold films. From the time-dependence of the Debye-Waller factor, we extract a 4.7 ps time-constant for the increase in mean-square atomic displacements. The observed increase in the diffuse scattering intensity demonstrates that the energy transfer from laser-heated electrons to phonon modes near the X and K points in the Au fcc Brillouin zone proceeds with timescales of 2.3 and 2.9 ps, respectively, faster than the Debye-Waller average mean-square displacement.

  14. Extended Irreversible Thermodynamics

    CERN Document Server

    Jou, David

    2010-01-01

    This is the 4th edition of the highly acclaimed monograph on Extended Irreversible Thermodynamics, a theory that goes beyond the classical theory of irreversible processes. In contrast to the classical approach, the basic variables describing the system are complemented by non-equilibrium quantities. The claims made for extended thermodynamics are confirmed by the kinetic theory of gases and statistical mechanics. The book covers a wide spectrum of applications, and also contains a thorough discussion of the foundations and the scope of the current theories on non-equilibrium thermodynamics. For this new edition, the authors critically revised existing material while taking into account the most recent developments in fast moving fields such as heat transport in micro- and nanosystems or fast solidification fronts in materials sciences. Several fundamental chapters have been revisited emphasizing physics and applications over mathematical derivations. Also, fundamental questions on the definition of non-equil...

  15. Thermodynamic analysis into a heat exchanger for absorption at high temperatures

    International Nuclear Information System (INIS)

    Márquez-Nolasco, A.; Huicochea, A.; Torres-Merino, J.; Siqueiros, J.; Hernández, J.A.

    2016-01-01

    Highlights: • Energy and exergy analyses for split absorber inside an AHT were developed. • The coefficient of operation for energy and exergy were improved above 30%. • A split absorber can reduce the irreversibility up to 28%. - Abstract: The residual heat or renewable energy can be used to activate a thermodynamic cycle inside a heat transformer by absorption (AHT), in order to obtain heat with a higher temperature in whole equipment. The performance of the AHT is mainly influenced by the absorber, since the useful heat is obtained here at different operating conditions. According to this study, a split absorber can improve the performance of the AHT because of the existing absorption processes in accordance with the first and second law of thermodynamics. The proposal is to divide the heat transfer area in equal sections, where the steam supplied is equal and the strong working solution is increased for all sections, in order to diminish the irreversibility in the absorber. With respect to the basic absorber, the best results are found when the absorber has two sections, because COP can be improved from 0.307 to 0.415, while the ECOP from 0.118 to 0.160, besides the irreversibility can reduce up to almost 28%.

  16. An Investigation of Applications for Thermodynamic Work Potential Methods: Working Tables and Charts for Estimation of Thermodynamic Work Potential in Equilibrium Mixtures of Jet-A and Air

    Science.gov (United States)

    Mavris, Dimitri; Roth, Bryce; McDonald, Rob

    2002-01-01

    The objective of this report is to provide a tool to facilitate the application of thermodynamic work potential methods to aircraft and engine analysis. This starts with a discussion of the theoretical background underlying these methods, which is then used to derive various equations useful for thermodynamic analysis of aircraft engines. The work potential analysis method is implemented in the form of a set of working charts and tables that can be used to graphically evaluate work potential stored in high-enthalpy gas. The range of validity for these tables is 300 to 36,000 R, pressures between between 0.01 atm and 100 atm, and fuel-air ratios from zero to stoichiometric. The derivations and charts assume mixtures of Jet-A and air as the working fluid. The thermodynamic properties presented in these charts were calculated based upon standard thermodynamic curve fits.

  17. System and method of adjusting the equilibrium temperature of an inductively-heated susceptor

    Science.gov (United States)

    Matsen, Marc R; Negley, Mark A; Geren, William Preston

    2015-02-24

    A system for inductively heating a workpiece may include an induction coil, at least one susceptor face sheet, and a current controller coupled. The induction coil may be configured to conduct an alternating current and generate a magnetic field in response to the alternating current. The susceptor face sheet may be configured to have a workpiece positioned therewith. The susceptor face sheet may be formed of a ferromagnetic alloy having a Curie temperature and being inductively heatable to an equilibrium temperature approaching the Curie temperature in response to the magnetic field. The current controller may be coupled to the induction coil and may be configured to adjust the alternating current in a manner causing a change in at least one heating parameter of the susceptor face sheet.

  18. A study in cosmology and causal thermodynamics

    International Nuclear Information System (INIS)

    Oliveira, H.P. de.

    1986-01-01

    The especial relativity of thermodynamic theories for reversible and irreversible processes in continuous medium is studied. The formalism referring to equilibrium and non-equilibrium configurations, and theories which includes the presence of gravitational fields are discussed. The nebular model in contraction with dissipative processes identified by heat flux and volumetric viscosity is thermodymically analysed. This model is presented by a plane conformal metric. The temperature, pressure, entropy and entropy production within thermodynamic formalism which adopts the hypothesis of local equilibrium, is calculated. The same analysis is carried out considering a causal thermodynamics, which establishes a local entropy of non-equilibrium. Possible homogeneous and isotropic cosmological models, considering the new phenomenological equation for volumetric viscosity deriving from cause thermodynamics are investigated. The found out models have plane spatial section (K=0) and some ones do not have singularities. The energy conditions are verified and the entropy production for physically reasobable models are calculated. (M.C.K.) [pt

  19. Solvation thermodynamics and heat capacity of polar and charged solutes in water

    Science.gov (United States)

    Sedlmeier, Felix; Netz, Roland R.

    2013-03-01

    The solvation thermodynamics and in particular the solvation heat capacity of polar and charged solutes in water is studied using atomistic molecular dynamics simulations. As ionic solutes we consider a F- and a Na+ ion, as an example for a polar molecule with vanishing net charge we take a SPC/E water molecule. The partial charges of all three solutes are varied in a wide range by a scaling factor. Using a recently introduced method for the accurate determination of the solvation free energy of polar solutes, we determine the free energy, entropy, enthalpy, and heat capacity of the three different solutes as a function of temperature and partial solute charge. We find that the sum of the solvation heat capacities of the Na+ and F- ions is negative, in agreement with experimental observations, but our results uncover a pronounced difference in the heat capacity between positively and negatively charged groups. While the solvation heat capacity ΔCp stays positive and even increases slightly upon charging the Na+ ion, it decreases upon charging the F- ion and becomes negative beyond an ion charge of q = -0.3e. On the other hand, the heat capacity of the overall charge-neutral polar solute derived from a SPC/E water molecule is positive for all charge scaling factors considered by us. This means that the heat capacity of a wide class of polar solutes with vanishing net charge is positive. The common ascription of negative heat capacities to polar chemical groups might arise from the neglect of non-additive interaction effects between polar and apolar groups. The reason behind this non-additivity is suggested to be related to the second solvation shell that significantly affects the solvation thermodynamics and due to its large spatial extent induces quite long-ranged interactions between solvated molecular parts and groups.

  20. Impact of thermodynamic properties and heat loss on ignition of transportation fuels in rapid compression machines

    KAUST Repository

    Ahmed, Ahfaz

    2018-01-30

    Rapid compression machines (RCM) are extensively used to study autoignition of a wide variety of fuels at engine relevant conditions. Fuels ranging from pure species to full boiling range gasoline and diesel can be studied in an RCM to develop a better understanding of autoignition kinetics in low to intermediate temperature ranges. In an RCM, autoignition is achieved by compressing a fuel/oxidizer mixture to higher pressure and temperature, thereby initiating chemical reactions promoting ignition. During these experiments, the pressure is continuously monitored and is used to deduce significant events such as the end of compression and the onset of ignition. The pressure profile is also used to assess the temperature evolution of the gas mixture with time using the adiabatic core hypothesis and the heat capacity ratio of the gas mixture. In such RCM studies, real transportation fuels containing many components are often represented by simpler surrogate fuels. While simpler surrogates such as primary reference fuels (PRFs) and ternary primary reference fuel (TPRFs) can match research and motor octane number of transportation fuels, they may not accurately replicate thermodynamic properties (including heat capacity ratio). This non-conformity could exhibit significant discrepancies in the end of compression temperature, thereby affecting ignition delay (τign) measurements. Another aspect of RCMs that can affect τign measurement is post compression heat loss, which depends on various RCM parameters including geometry, extent of insulation, pre-heating temperature etc. To, better understand the effects of these non-chemical kinetic parameters on τign, thermodynamic properties of a number of FACE G gasoline surrogates were calculated and simulated in a multi-zone RCM model. The problem was further investigated using a variance based analysis and individual sensitivities were calculated. This study highlights the effects on τign due to thermodynamic properties of

  1. Impact of thermodynamic properties and heat loss on ignition of transportation fuels in rapid compression machines

    KAUST Repository

    Ahmed, Ahfaz; Hantouche, Mireille; Khurshid, Muneeb; Mohamed, Samah; Nasir, Ehson Fawad; Farooq, Aamir; Roberts, William L.; Knio, Omar; Sarathy, Mani

    2018-01-01

    Rapid compression machines (RCM) are extensively used to study autoignition of a wide variety of fuels at engine relevant conditions. Fuels ranging from pure species to full boiling range gasoline and diesel can be studied in an RCM to develop a better understanding of autoignition kinetics in low to intermediate temperature ranges. In an RCM, autoignition is achieved by compressing a fuel/oxidizer mixture to higher pressure and temperature, thereby initiating chemical reactions promoting ignition. During these experiments, the pressure is continuously monitored and is used to deduce significant events such as the end of compression and the onset of ignition. The pressure profile is also used to assess the temperature evolution of the gas mixture with time using the adiabatic core hypothesis and the heat capacity ratio of the gas mixture. In such RCM studies, real transportation fuels containing many components are often represented by simpler surrogate fuels. While simpler surrogates such as primary reference fuels (PRFs) and ternary primary reference fuel (TPRFs) can match research and motor octane number of transportation fuels, they may not accurately replicate thermodynamic properties (including heat capacity ratio). This non-conformity could exhibit significant discrepancies in the end of compression temperature, thereby affecting ignition delay (τign) measurements. Another aspect of RCMs that can affect τign measurement is post compression heat loss, which depends on various RCM parameters including geometry, extent of insulation, pre-heating temperature etc. To, better understand the effects of these non-chemical kinetic parameters on τign, thermodynamic properties of a number of FACE G gasoline surrogates were calculated and simulated in a multi-zone RCM model. The problem was further investigated using a variance based analysis and individual sensitivities were calculated. This study highlights the effects on τign due to thermodynamic properties of

  2. Thermodynamics for scientists and engineers

    International Nuclear Information System (INIS)

    Lim, Gyeong Hui

    2011-02-01

    This book deals with thermodynamics for scientists and engineers. It consists of 11 chapters, which are concept and background of thermodynamics, the first law of thermodynamics, the second law of thermodynamics and entropy, mathematics related thermodynamics, properties of thermodynamics on pure material, equilibrium, stability of thermodynamics, the basic of compound, phase equilibrium of compound, excess gibbs energy model of compound and activity coefficient model and chemical equilibrium. It has four appendixes on properties of pure materials and thermal mass.

  3. Low-temperature heat capacity and thermodynamic functions of vitamin B{sub 12}

    Energy Technology Data Exchange (ETDEWEB)

    Knyazev, A.V., E-mail: knyazevav@gmail.com; Smirnova, N.N.; Plesovskikh, A.S.; Shushunov, A.N.; Knyazeva, S.S.

    2014-04-01

    Graphical abstract: - Highlights: • Temperature dependence of heat capacity of vitamin B{sub 12} has been measured by precision adiabatic vacuum calorimetry. • The thermodynamic functions of the vitamin B{sub 12} have been determined for the range from T → 0 to 343 K. • The character of heterodynamics of structure was detected. • The thermal stability of cyanocobalamin was studied by differential scanning calorimetry. - Abstract: In the present work temperature dependence of heat capacity of vitamin B{sub 12} (cyanocobalamin) has been measured for the first time in the range from 6 to 343 K by precision adiabatic vacuum calorimetry. Based on the experimental data, the thermodynamic functions of the vitamin B{sub 12}, namely, the heat capacity, enthalpy H°(T) − H°(0), entropy S°(T) − S°(0) and Gibbs function G°(T) − H°(0) have been determined for the range from T → 0 to 343 K. The value of the fractal dimension D in the function of multifractal generalization of Debye's theory of the heat capacity of solids was estimated and the character of heterodynamics of structure was detected. The thermal stability of cyanocobalamin was also studied by differential scanning calorimetry.

  4. Thermodynamic analysis of the heat regenerative cycle in porous medium engine

    International Nuclear Information System (INIS)

    Liu Hongsheng; Xie Maozhao; Wu Dan

    2009-01-01

    The advantages of homogeneous combustion in internal combustion engines are well known all over the world. Recent years, porous medium (PM) engine has been proposed as a new type engine based on the technique of combustion in porous medium, which can fulfils all requirements to perform homogeneous combustion. In this paper, working processes of a PM engine are briefly introduced and an ideal thermodynamic model of the PM heat regeneration cycle in PM engine is developed. An expression for the relation between net work output and thermal efficiency is derived for the cycle. In order to evaluate of the cycle, the influences of the expansion ratio, initial temperature and limited temperature on the net work and efficiency are discussed, and the availability terms of the cycle are analyzed. Comparing the PM heat regenerative cycle of the PM engine against Otto cycle and Diesel cycle shows that PM heat regenerative cycle can improve net work output greatly with little drop of efficiency. The aim of this paper is to predict the thermodynamic performance of PM heat regeneration cycle and provide a guide to further investigations of the PM engine

  5. Low-temperature heat capacity and thermodynamic functions of vitamin B12

    International Nuclear Information System (INIS)

    Knyazev, A.V.; Smirnova, N.N.; Plesovskikh, A.S.; Shushunov, A.N.; Knyazeva, S.S.

    2014-01-01

    Graphical abstract: - Highlights: • Temperature dependence of heat capacity of vitamin B 12 has been measured by precision adiabatic vacuum calorimetry. • The thermodynamic functions of the vitamin B 12 have been determined for the range from T → 0 to 343 K. • The character of heterodynamics of structure was detected. • The thermal stability of cyanocobalamin was studied by differential scanning calorimetry. - Abstract: In the present work temperature dependence of heat capacity of vitamin B 12 (cyanocobalamin) has been measured for the first time in the range from 6 to 343 K by precision adiabatic vacuum calorimetry. Based on the experimental data, the thermodynamic functions of the vitamin B 12 , namely, the heat capacity, enthalpy H°(T) − H°(0), entropy S°(T) − S°(0) and Gibbs function G°(T) − H°(0) have been determined for the range from T → 0 to 343 K. The value of the fractal dimension D in the function of multifractal generalization of Debye's theory of the heat capacity of solids was estimated and the character of heterodynamics of structure was detected. The thermal stability of cyanocobalamin was also studied by differential scanning calorimetry

  6. Heating without heat: Thermodynamics of passive energy filters between finite systems.

    Science.gov (United States)

    Muñoz-Tapia, R; Brito, R; Parrondo, J M R

    2017-09-01

    Passive filters allowing the exchange of particles in a narrow band of energy are currently used in microrefrigerators and energy transducers. In this Rapid Communication, we analyze their thermal properties using linear irreversible thermodynamics and kinetic theory, and discuss a striking phenomenon: the possibility of simultaneously increasing or decreasing the temperatures of two systems without any supply of energy. This occurs when the filter induces a flow of particles whose energy is between the average energies of the two systems. Here we show that this selective transfer of particles does not need the action of any sort of Maxwell demon and can be carried out by passive filters without compromising the second law of thermodynamics. This phenomenon allows us to design cycles between two reservoirs at temperatures T_{1}

  7. Thermodynamic performance analysis of sequential Carnot cycles using heat sources with finite heat capacity

    International Nuclear Information System (INIS)

    Park, Hansaem; Kim, Min Soo

    2014-01-01

    The maximum efficiency of a heat engine is able to be estimated by using a Carnot cycle. Even though, in terms of efficiency, the Carnot cycle performs the role of reference very well, its application is limited to the case of infinite heat reservoirs, which is not that realistic. Moreover, considering that one of the recent key issues is to produce maximum work from low temperature and finite heat sources, which are called renewable energy sources, more advanced theoretical cycles, which can present a new standard, and the research about them are necessary. Therefore, in this paper, a sequential Carnot cycle, where multiple Carnot cycles are connected in parallel, is studied. The cycle adopts a finite heat source, which has a certain initial temperature and heat capacity, and an infinite heat sink, which is assumed to be ambient air. Heat transfer processes in the cycle occur with the temperature difference between a heat reservoir and a cycle. In order to resolve the heat transfer rate in those processes, the product of an overall heat transfer coefficient and a heat transfer area is introduced. Using these conditions, the performance of a sequential Carnot cycle is analytically calculated. Furthermore, as the efforts for enhancing the work of the cycle, the optimization research is also conducted with numerical calculation. - Highlights: • Modified sequential Carnot cycles are proposed for evaluating low grade heat sources. • Performance of sequential Carnot cycles is calculated analytically. • Optimization study for the cycle is conducted with numerical solver. • Maximum work from a heat source under a certain condition is obtained by equations

  8. A thermodynamic study of waste heat recovery from GT-MHR using organic Rankine cycles

    International Nuclear Information System (INIS)

    Yari, Mortaza; Mahmoudi, S.M.S.

    2011-01-01

    This paper presents an investigation on the utilization of waste heat from a gas turbine-modular helium reactor (GT-MHR) using different arrangements of organic Rankine cycles (ORCs) for power production. The considered organic Rankine cycles were: simple organic Rankine cycle (SORC), ORC with internal heat exchanger (HORC) and regenerative organic Rankine cycle (RORC). The performances of the combined cycles were studied from the point of view of first and second-laws of thermodynamics. Individual models were developed for each component and the effects of some important parameters such as compressor pressure ratio, turbine inlet temperature, and evaporator and environment temperatures on the efficiencies and on the exergy destruction rate were studied. Finally the combined cycles were optimized thermodynamically using the EES (Engineering Equation Solver) software. Based on the identical operating conditions for the GT-MHR cycle, a comparison between the three combined cycles and a simple GT-MHR cycle is also were made. This comparison was also carried out from the point of view of economics. The GT-MHR/SORC combined cycle proved to be the best among all the cycles from the point of view of both thermodynamics and economics. The efficiency of this cycle was about 10% higher than that of GT-MHR alone. (orig.)

  9. Phase equilibrium data and thermodynamic modeling of the system (CO{sub 2} + biodiesel + methanol) at high pressures

    Energy Technology Data Exchange (ETDEWEB)

    Pinto, Leandro F.; Segalen da Silva, Diogo Italo [Department of Chemical Engineering, Federal University of Parana, CEP 81531-990, Curitiba, PR (Brazil); Rosa da Silva, Fabiano; Ramos, Luiz P. [Department of Chemistry, Federal University of Parana, CEP 81531-990, Curitiba, PR (Brazil); Ndiaye, Papa M. [Department of Chemical Engineering, Federal University of Parana, CEP 81531-990, Curitiba, PR (Brazil); Corazza, Marcos L., E-mail: corazza@ufpr.br [Department of Chemical Engineering, Federal University of Parana, CEP 81531-990, Curitiba, PR (Brazil)

    2012-01-15

    Highlights: > We measured phase behavior for the system involving {l_brace}CO{sub 2} + biodiesel + methanol{r_brace}. > The saturation pressures were obtained using a variable-volume view cell. > The experimental data were modeled using PR-vdW2 and PR-WS equations of state. - Abstract: The main objective of this work was to investigate the high pressure phase behavior of the binary systems {l_brace}CO{sub 2}(1) + methanol(2){r_brace} and {l_brace}CO{sub 2}(1) + soybean methyl esters (biodiesel)(2){r_brace} and the ternary system {l_brace}CO{sub 2}(1) + biodiesel(2) + methanol(3){r_brace} were determined. Biodiesel was produced from soybean oil, purified, characterized and used in this work. The static synthetic method, using a variable-volume view cell, was employed to obtain the experimental data in the temperature range of (303.15 to 343.15) K and pressures up to 21 MPa. The mole fractions of carbon dioxide were varied according to the systems as follows: (0.2383 to 0.8666) for the binary system {l_brace}CO{sub 2}(1) + methanol(2){r_brace}; (0.4201 to 0.9931) for the binary system {l_brace}CO{sub 2}(1) + biodiesel(2){r_brace}; (0.4864 to 0.9767) for the ternary system {l_brace}CO{sub 2}(1) + biodiesel(2) + methanol(3){r_brace} with a biodiesel to methanol molar ratio of (1:3); and (0.3732 to 0.9630) for the system {l_brace}CO{sub 2} + biodiesel + methanol{r_brace} with a biodiesel to methanol molar ratio of (8:1). For these systems, (vapor + liquid), (liquid + liquid), (vapor + liquid + liquid) transitions were observed. The phase equilibrium data obtained for the systems were modeled using the Peng-Robinson equation of state with the classical van der Waals (PR-vdW2) and Wong-Sandler (PR-WS) mixing rules. Both thermodynamic models were able to satisfactorily correlate the phase behavior of the systems investigated and the PR-WS presented the best performance.

  10. Quantum thermodynamics from the nonequilibrium dynamics of open systems: Energy, heat capacity, and the third law.

    Science.gov (United States)

    Hsiang, J-T; Chou, C H; Subaşı, Y; Hu, B L

    2018-01-01

    In a series of papers, we intend to take the perspective of open quantum systems and examine from their nonequilibrium dynamics the conditions when the physical quantities, their relations, and the laws of thermodynamics become well defined and viable for quantum many-body systems. We first describe how an open-system nonequilibrium dynamics (ONEq) approach is different from the closed combined system +  environment in a global thermal state (CGTs) setup. Only after the open system equilibrates will it be amenable to conventional thermodynamics descriptions, thus quantum thermodynamics (QTD) comes at the end rather than assumed in the beginning. The linkage between the two comes from the reduced density matrix of ONEq in that stage having the same form as that of the system in the CGTs. We see the open-system approach having the advantage of dealing with nonequilibrium processes as many experiments in the near future will call for. Because it spells out the conditions of QTD's existence, it can also aid us in addressing the basic issues in quantum thermodynamics from first principles in a systematic way. We then study one broad class of open quantum systems where the full nonequilibrium dynamics can be solved exactly, that of the quantum Brownian motion of N strongly coupled harmonic oscillators, interacting strongly with a scalar-field environment. In this paper, we focus on the internal energy, heat capacity, and the third law. We show for this class of physical models, amongst other findings, the extensive property of the internal energy, the positivity of the heat capacity, and the validity of the third law from the perspective of the behavior of the heat capacity toward zero temperature. These conclusions obtained from exact solutions and quantitative analysis clearly disprove claims of negative specific heat in such systems and dispel allegations that in such systems the validity of the third law of thermodynamics relies on quantum entanglement. They are

  11. Thermodynamic modelling of a recompression CO_2 power cycle for low temperature waste heat recovery

    International Nuclear Information System (INIS)

    Banik, Shubham; Ray, Satyaki; De, Sudipta

    2016-01-01

    Highlights: • Thermodynamic model for recompression T-CO_2 is developed. • Energetic and exergetic analysis compared with S-CO_2 and Reg. Brayton cycle. • Maximum efficiency of 13.6% is obtained for T-CO_2 cycle. • Optimum recompression ratio of 0.48 is obtained for minimum irreversibility. • Reg. Brayton has better efficiency, T-CO_2 offers minimum irreversibility. - Abstract: Due to the rising prices of conventional fossil fuels, increasing the overall thermal efficiency of a power plant is essential. One way of doing this is waste heat recovery. This recovery is most difficult for low temperature waste heat, below 240 °C, which also covers majority of the waste heat source. Carbon dioxide, with its low critical temperature and pressure, offers an advantage over ozone-depleting refrigerants used in Organic Rankine Cycles (ORCs) and hence is most suitable for the purpose. This paper introduces parametric optimization of a transcritical carbon dioxide (T-CO_2) power cycle which recompresses part of the total mass flow of working fluid before entering the precooler, thereby showing potential for higher cycle efficiency. Thermodynamic model for a recompression T-CO_2 power cycle has been developed with waste heat source of 2000 kW and at a temperature of 200 °C. Results obtained from this model are analysed to estimate effects on energetic and exergetic performances of the power cycle with varying pressure and mass recompression ratio. Higher pressure ratio always improves thermodynamic performance of the cycle – both energetic and exergetic. Higher recompression ratio also increases exergetic efficiency of the cycle. However, it increases energy efficiency, only if precooler inlet temperature remains constant. Maximum thermal efficiency of the T-CO_2 cycle with a recompression ratio of 0.26 has been found to be 13.6%. To minimize total irreversibility of the cycle, an optimum ratio of 0.48 was found to be suitable.

  12. Thermodynamic analysis and performance assessment of an integrated heat pump system for district heating applications

    International Nuclear Information System (INIS)

    Soltani, Reza; Dincer, Ibrahim; Rosen, Marc A.

    2015-01-01

    A Rankine cycle-driven heat pump system is modeled for district heating applications with superheated steam and hot water as products. Energy and exergy analyses are performed, followed by parametric studies to determine the effects of varying operating conditions and environmental parameters on the system performance. The district heating section is observed to be the most inefficient part of system, exhibiting a relative irreversibility of almost 65%, followed by the steam evaporator and the condenser, with relative irreversibilities of about 18% and 9%, respectively. The ambient temperature is observed to have a significant influence on the overall system exergy destruction. As the ambient temperature decreases, the system exergy efficiency increases. The electricity generated can increase the system exergy efficiency at the expense of a high refrigerant mass flow rate, mainly due to the fact that the available heat source is low quality waste heat. For instance, by adding 2 MW of excess electricity on top of the targeted 6 MW of product heat, the refrigerant mass flow rate increases from 12 kg/s (only heat) to 78 kg/s (heat and electricity), while the production of 8 MW of product heat (same total output, but in form of heat) requires a refrigerant mass flow rate of only 16 kg/s. - Highlights: • A new integrated heat pump system is developed for district heating applications. • An analysis and assessment study is undertaken through exergy analysis methodology. • A comparative efficiency evaluation is performed for practical applications. • A parametric study is conducted to investigate how varying operating conditions and state properties affect energy and exergy efficiencies.

  13. Comprehensive thermodynamic analysis of a renewable energy sourced hybrid heating system combined with latent heat storage

    International Nuclear Information System (INIS)

    Utlu, Zafer; Aydın, Devrim; Kıncay, Olcay

    2014-01-01

    Highlights: • An experimental thermal investigation of hybrid renewable heating system is presented. • Analyses were done by using real data obtained from a prototype structure. • Exergy efficiency of system components investigated during discharging period are close to each other as 32%. • The average input energy and exergy rates to the LHS were 0.770 and 0.027 kW. • Overall total energy and exergy efficiencies of LHS calculated as 72% and 28.4%. - Abstract: In this study an experimental thermal investigation of hybrid renewable heating system is presented. Latent heat storage stores energy, gained by solar collectors and supplies medium temperature heat to heat pump both day time also night time while solar energy is unavailable. In addition to this an accumulation tank exists in the system as sensible heat storage. It provides supply–demand balance with storing excess high temperature heat. Analyses were done according to thermodynamic’s first and second laws by using real data obtained from a prototype structure, built as part of a project. Results show that high percent of heat loses took place in heat pump with 1.83 kW where accumulator-wall heating cycle followed it with 0.42 kW. Contrarily highest break-down of exergy loses occur accumulator-wall heating cycle with 0.28 kW. Averagely 2.42 kW exergy destruction took place in whole system during the experiment. Solar collectors and heat pump are the promising components in terms of exergy destruction with 1.15 kW and 1.09 kW respectively. Exergy efficiency of system components, investigated during discharging period are in a close approximately of 32%. However, efficiency of solar collectors and charging of latent heat storage are 2.3% and 7% which are relatively low. Average overall total energy and exergy efficiencies of latent heat storage calculated as 72% and 28.4% respectively. Discharging energy efficiency of latent heat storage is the highest through all system components. Also heat

  14. Thermodynamic and heat transfer analysis of heat recovery from engine test cell by Organic Rankine Cycle

    Science.gov (United States)

    Shokati, Naser; Mohammadkhani, Farzad; Farrokhi, Navid; Ranjbar, Faramarz

    2014-12-01

    During manufacture of engines, evaluation of engine performance is essential. This is accomplished in test cells. During the test, a significant portion of heat energy released by the fuel is wasted. In this study, in order to recover these heat losses, Organic Rankine Cycle (ORC) is recommended. The study has been conducted assuming the diesel oil to be composed of a single hydrocarbon such as C12H26. The composition of exhaust gases (products of combustion) have been computed (and not determined experimentally) from the stoichiometric equation representing the combustion reaction. The test cell heat losses are recovered in three separate heat exchangers (preheater, evaporator and superheater). These heat exchangers are separately designed, and the whole system is analyzed from energy and exergy viewpoints. Finally, a parametric study is performed to investigate the effect of different variables on the system performance characteristics such as the ORC net power, heat exchangers effectiveness, the first law efficiency, exergy destruction and heat transfer surfaces. The results of the study show that by utilizing ORC, heat recovery equivalent to 8.85 % of the engine power is possible. The evaporator has the highest exergy destruction rate, while the pump has the lowest among the system components. Heat transfer surfaces are calculated to be 173.6, 58.7, and 11.87 m2 for the preheater, evaporator and superheater, respectively.

  15. Thermodynamic analysis of heat recovery steam generator in combined cycle power plant

    Directory of Open Access Journals (Sweden)

    Ravi Kumar Naradasu

    2007-01-01

    Full Text Available Combined cycle power plants play an important role in the present energy sector. The main challenge in designing a combined cycle power plant is proper utilization of gas turbine exhaust heat in the steam cycle in order to achieve optimum steam turbine output. Most of the combined cycle developers focused on the gas turbine output and neglected the role of the heat recovery steam generator which strongly affects the overall performance of the combined cycle power plant. The present paper is aimed at optimal utilization of the flue gas recovery heat with different heat recovery steam generator configurations of single pressure and dual pressure. The combined cycle efficiency with different heat recovery steam generator configurations have been analyzed parametrically by using first law and second law of thermodynamics. It is observed that in the dual cycle high pressure steam turbine pressure must be high and low pressure steam turbine pressure must be low for better heat recovery from heat recovery steam generator.

  16. Thermodynamic Analysis and Optimization of a High Temperature Triple Absorption Heat Transformer

    Science.gov (United States)

    Khamooshi, Mehrdad; Yari, Mortaza; Egelioglu, Fuat; Salati, Hana

    2014-01-01

    First law of thermodynamics has been used to analyze and optimize inclusively the performance of a triple absorption heat transformer operating with LiBr/H2O as the working pair. A thermodynamic model was developed in EES (engineering equation solver) to estimate the performance of the system in terms of the most essential parameters. The assumed parameters are the temperature of the main components, weak and strong solutions, economizers' efficiencies, and bypass ratios. The whole cycle is optimized by EES software from the viewpoint of maximizing the COP via applying the direct search method. The optimization results showed that the COP of 0.2491 is reachable by the proposed cycle. PMID:25136702

  17. Thermodynamic Analysis and Optimization of a High Temperature Triple Absorption Heat Transformer

    Directory of Open Access Journals (Sweden)

    Mehrdad Khamooshi

    2014-01-01

    Full Text Available First law of thermodynamics has been used to analyze and optimize inclusively the performance of a triple absorption heat transformer operating with LiBr/H2O as the working pair. A thermodynamic model was developed in EES (engineering equation solver to estimate the performance of the system in terms of the most essential parameters. The assumed parameters are the temperature of the main components, weak and strong solutions, economizers’ efficiencies, and bypass ratios. The whole cycle is optimized by EES software from the viewpoint of maximizing the COP via applying the direct search method. The optimization results showed that the COP of 0.2491 is reachable by the proposed cycle.

  18. Non-equilibrium effects of core-cooling and time-dependent internal heating on mantle flush events

    Directory of Open Access Journals (Sweden)

    D. A. Yuen

    1995-01-01

    Full Text Available We have examined the non-equilibrium effects of core-cooling and time-dependent internal-heating on the thermal evolution of the Earth's mantle and on mantle flush events caused by the two major phase transitions. Both two- and three-dimensional models have been employed. The mantle viscosity responds to the secular cooling through changes in the averaged temperature field. A viscosity which decreases algebraically with the average temperature has been considered. The time-dependent internal-heating is prescribed to decrease exponentially with a single decay time. We have studied the thermal histories with initial Rayleigh numbers between 2 x 107 and 108 . Flush events, driven by the non-equilibrium forcings, are much more dramatic than those produced by the equilibrium boundary conditions and constant internal heating. Multiple flush events are found under non-equilibrium conditions in which there is very little internal heating or very fast decay rates of internal-heating. Otherwise, the flush events take place in a relatively continuous fashion. Prior to massive flush events small-scale percolative structures appear in the 3D temperature fields. Time-dependent signatures, such as the surface heat flux, also exhibits high frequency oscillatory patterns prior to massive flush events. These two observations suggest that the flush event may be a self-organized critical phenomenon. The Nusselt number as a function of the time-varying Ra does not follow the Nusselt vs. Rayleigh number power-law relationship based on equilibrium (constant temperature boundary conditions. Instead Nu(t may vary non-monotonically with time because of the mantle flush events. Convective processes in the mantle operate quite differently under non-equilibrium conditions from its behaviour under the usual equilibrium situations.

  19. Thermodynamic analysis of a refrigeration cycle using regenerative heat exchanger - suction/liquid line

    Energy Technology Data Exchange (ETDEWEB)

    Tebchirani, Tarik Linhares; Matos, Rudmar Serafim [Pos graduate Programme in Mechanical Engineering (PGMEC), Universidade Federal do Parana, Curitiba, PR (Brazil)], e-mails: tarik@utfpr.edu.br, rudmar@demec.ufpr.br

    2010-07-01

    This paper presents results from thermodynamic comparison of a conventional compression cycle and a steam cycle that uses a heat exchanger countercurrent (liquid line/suction line) in an air conditioning system split. The main objective is to study the relationship between the COP and the mass variation of refrigerant to the effectiveness of the heat exchanger. The papers presented in the literature discuss the matter in a theoretical way, are summarized in tables of rare loss statements without specification of methods. The methodology of work is based on testing of an air conditioner operating conventionally and also with the heat exchanger for the determination of values and parameters of interest. The tests were performed in a thermal chamber with temperature controlled and equipped with a data acquisition system for reading and storage results. The refrigerant was R22. Besides making possible an assessment of the feasibility of cost-benefit thermodynamics, it is suggested a different method for installing the equipment type split. (author)

  20. A graphical criterion for working fluid selection and thermodynamic system comparison in waste heat recovery

    International Nuclear Information System (INIS)

    Xi, Huan; Li, Ming-Jia; He, Ya-Ling; Tao, Wen-Quan

    2015-01-01

    In the present study, we proposed a graphical criterion called CE diagram by achieving the Pareto optimal solutions of the annual cash flow and exergy efficiency. This new graphical criterion enables both working fluid selection and thermodynamic system comparison for waste heat recovery. It's better than the existing criterion based on single objective optimization because it is graphical and intuitionistic in the form of diagram. The features of CE diagram were illustrated by studying 5 examples with different heat-source temperatures (ranging between 100 °C to 260 °C), 26 chlorine-free working fluids and two typical ORC systems including basic organic Rankine cycle(BORC) and recuperative organic Rankine cycle (RORC). It is found that the proposed graphical criterion is feasible and can be applied to any closed loop waste heat recovery thermodynamic systems and working fluids. - Highlights: • A graphical method for ORC system comparison/working fluid selection was proposed. • Multi-objectives genetic algorithm (MOGA) was applied for optimizing ORC systems. • Application cases were performed to demonstrate the usage of the proposed method.

  1. Low temperature heat capacities and thermodynamic functions described by Debye-Einstein integrals.

    Science.gov (United States)

    Gamsjäger, Ernst; Wiessner, Manfred

    2018-01-01

    Thermodynamic data of various crystalline solids are assessed from low temperature heat capacity measurements, i.e., from almost absolute zero to 300 K by means of semi-empirical models. Previous studies frequently present fit functions with a large amount of coefficients resulting in almost perfect agreement with experimental data. It is, however, pointed out in this work that special care is required to avoid overfitting. Apart from anomalies like phase transformations, it is likely that data from calorimetric measurements can be fitted by a relatively simple Debye-Einstein integral with sufficient precision. Thereby, reliable values for the heat capacities, standard enthalpies, and standard entropies at T  = 298.15 K are obtained. Standard thermodynamic functions of various compounds strongly differing in the number of atoms in the formula unit can be derived from this fitting procedure and are compared to the results of previous fitting procedures. The residuals are of course larger when the Debye-Einstein integral is applied instead of using a high number of fit coefficients or connected splines, but the semi-empiric fit coefficients keep their meaning with respect to physics. It is suggested to use the Debye-Einstein integral fit as a standard method to describe heat capacities in the range between 0 and 300 K so that the derived thermodynamic functions are obtained on the same theory-related semi-empiric basis. Additional fitting is recommended when a precise description for data at ultra-low temperatures (0-20 K) is requested.

  2. The second law of thermodynamics and quantum heat engines: Is the law strictly enforced?

    Science.gov (United States)

    Keefe, Peter D.

    2010-01-01

    A quantum heat engine is a construct having a working medium which is cyclically processed through a pair of control variables of state involving a Bose-Einstein condensation (BEC) in which a heat input is converted into a work output. Of interest is a first species of quantum heat engine in which the working medium is macroscopic in the sense the size scale is sufficiently large that the BEC is not volumetrically coherent. In this first species of quantum heat engine, near Carnot efficiencies may be possible. Of particular interest is a second species of quantum heat engine in which the working medium is mesoscopic in the sense that the size scale is sufficiently small that the BEC is volumetrically coherent. In this second species of quantum heat engine, the resulting in-process non-equilibrium condition affects the finally arrived at control variables of state such that Carnot efficiencies and beyond may be possible. A Type I superconductor is used to model the first and second species of quantum heat engine.

  3. 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.

  4. Equilibrium Crystal Shape of BaZrO{sub 3} and Space Charge Formation in the (011) Surface by Using Ab-Initio Thermodynamics

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Ji-Su; Kim, Yeong-Cheol [Korea University of Technology and Education, Cheonan (Korea, Republic of)

    2017-01-15

    We investigated the equilibrium crystal shape of BaZrO{sub 3} and the space charge formation in an O-terminated (011) surface by using ab-initio thermodynamics. Twenty-two low-indexed (001), (011), and (111) surfaces were calculated to analyze their surface Gibbs-free energy under the stable condition of BaZrO{sub 3}. Based on the Gibbs-Wulff theorem, the equilibrium crystal shape of BaZrO{sub 3} changed from cubic to decaoctahedral with decreasing Ba chemical potential. The dominant facets of BaZrO{sub 3} were {001} and {011}, which were well consistent with experimental observations. The space charge formation in the (011) surface was evaluated using the space-charge model. We found that the (011) surface was even more resistive than the (001) surface.

  5. Thermodynamic state, specific heat, and enthalpy function of saturated UO2 vapor between 3,000 K and 5,000 K

    International Nuclear Information System (INIS)

    Karow, H.U.

    1977-02-01

    The properties have been determined by means of statistical mechanics. The discussion of the thermodynamic state includes the evaluation of the plasma state and its contribution to the caloric variables-of-state of saturated oxide fuel vapor. Because of the extremely high ion and electron density due to thermal ionization, the ionized component of the fuel vapor does no more represent a perfect kinetic plasma. At temperatures around 5,000 K, UO 2 vapor reaches the collective plasma state and becomes increasingly 'metallic'. - Moreover, the nonuniform molecular equilibrium composition of UO 2 vapor has been taken into account in calculating its caloric functions-of-state. The contribution to specific heat and enthalpy of thermally excited electronic states of the vapor molecules has been derived by means of a Rydberg orbital model of the UO 2 molecule. The resulting enthalpy functions and specific heats for saturated UO 2 vapor of equilibrium composition and that for pure UO 2 gas are compared with the enthalpy and specific heat data of gaseous UO 2 at lower temperatures known from literature. (orig./HP) [de

  6. 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

  7. Departures from local thermodynamic equilibrium in cutting arc plasmas derived from electron and gas density measurements using a two-wavelength quantitative Schlieren technique

    International Nuclear Information System (INIS)

    Prevosto, L.; Mancinelli, B.; Artana, G.; Kelly, H.

    2011-01-01

    A two-wavelength quantitative Schlieren technique that allows inferring the electron and gas densities of axisymmetric arc plasmas without imposing any assumption regarding statistical equilibrium models is reported. This technique was applied to the study of local thermodynamic equilibrium (LTE) departures within the core of a 30 A high-energy density cutting arc. In order to derive the electron and heavy particle temperatures from the inferred density profiles, a generalized two-temperature Saha equation together with the plasma equation of state and the quasineutrality condition were employed. Factors such as arc fluctuations that influence the accuracy of the measurements and the validity of the assumptions used to derive the plasma species temperature were considered. Significant deviations from chemical equilibrium as well as kinetic equilibrium were found at elevated electron temperatures and gas densities toward the arc core edge. An electron temperature profile nearly constant through the arc core with a value of about 14000-15000 K, well decoupled from the heavy particle temperature of about 1500 K at the arc core edge, was inferred.

  8. Direct waste heat recovery via thermoelectric materials - chosen issues of the thermodynamic description

    International Nuclear Information System (INIS)

    Kolasiński, Piotr; Kolasińska, Ewa

    2016-01-01

    The effective waste heat recovery is one of the present-day challenges in the industry and power engineering. The energy systems dedicated for waste heat conversion into electricity are usually characterized by low efficiency and are complicated in the design. The possibility of waste heat recovery via thermoelectric materials may be an interesting alternative to the currently used technologies. In particular, due to their material characteristics, conducting polymers may be competitive when compared with the power machinery and equipment. These materials can be used in a wide range of the geometries e.g. the bulk products, thin films, pristine form or composites and the others. In this article, the authors present selected issues related to the mathematical and thermodynamic description of the heat transfer processes in the thermoelectric materials dedicated for the waste heat recovery. The link of these models with electrical properties of the material and a material solution based on a conducting polymer have also been presented in this paper. (paper)

  9. Thermodynamic simulation of condensation heat recovery characteristics of a single stage centrifugal chiller in a hotel

    International Nuclear Information System (INIS)

    Gong, Guangcai; Chen, Feihu; Su, Huan; Zhou, Jianyong

    2012-01-01

    Highlights: ► Thermodynamic model of a two-condenser condensation system has been carried out. ► Dynamic simulation method has been presented. ► COP and g of the refrigerating system is better than the single condensation system. ► The optimal parameters for the two-condenser condensation system have been studied. -- Abstract: A thermodynamic simulation study has been carried out for a single stage centrifugal chiller in this paper. The cooling capacity of the chiller unit is about 1750 kW. The chiller unit has been set and tested, and the work refrigerant is R22. A heat exchanger has been set between outlet of the compressor and the condenser for sanitary hot water supplying. Then the chiller unit is a kind of combined system that can provide sanitary hot water supplying and air conditioning simultaneously. A thermodynamic simulation model of the combined system has been established with the system simulation toolbox Simulink. Performance of the components and the combined system of the chiller unit has been studied over a wide range of operating conditions. The potential energy and fuel cost saving associated with the use of the proposed combined system for a typical hotel in south China has been estimated. It is showed that the combined system of the chiller unit is very useful in hotel buildings. And the thermodynamic simulation model of the combined system is significance for the optimization of parameters of the chiller unit such as condensation and evaporation temperature, mass flow of the sanitary hot water and size of hot water storage tank.

  10. A combined thermodynamic cycle based on methanol dissociation for IC (internal combustion) engine exhaust heat recovery

    International Nuclear Information System (INIS)

    Fu, Jianqin; Liu, Jingping; Xu, Zhengxin; Ren, Chengqin; Deng, Banglin

    2013-01-01

    In this paper, a novel approach for exhaust heat recovery was proposed to improve IC (internal combustion) engine fuel efficiency and also to achieve the goal for direct usage of methanol as IC engine fuel. An open organic Rankine cycle system using methanol as working medium is coupled to IC engine exhaust pipe for exhaust heat recovery. In the bottom cycle, the working medium first undergoes dissociation and expansion processes, and is then directed back to IC engine as fuel. As the external bottom cycle and the IC engine main cycle are combined together, this scheme forms a combined thermodynamic cycle. Then, this concept was applied to a turbocharged engine, and the corresponding simulation models were built for both of the external bottom cycle and the IC engine main cycle. On this basis, the energy saving potential of this combined cycle was estimated by parametric analyses. Compared to the methanol vapor engine, IC engine in-cylinder efficiency has an increase of 1.4–2.1 percentage points under full load conditions, while the external bottom cycle can increase the fuel efficiency by 3.9–5.2 percentage points at the working pressure of 30 bar. The maximum improvement to the IC engine global fuel efficiency reaches 6.8 percentage points. - Highlights: • A combined thermodynamic cycle using methanol as working medium for IC engine exhaust heat recovery is proposed. • The external bottom cycle of exhaust heat recovery and IC engine working cycle are combined together. • IC engine fuel efficiency could be improved from both in-cylinder working cycle and external bottom cycle. • The maximum improvement to the IC engine global fuel efficiency reaches 6.8 percentage points at full load

  11. Current & Heat Transport in Graphene Nanoribbons: Role of Non-Equilibrium Phonons

    Science.gov (United States)

    Pennington, Gary; Finkenstadt, Daniel

    2010-03-01

    The conducting channel of a graphitic nanoscale device is expected to experience a larger degree of thermal isolation when compared to traditional inversion channels of electronic devices. This leads to enhanced non-equilibrium phonon populations which are likely to adversely affect the mobility of graphene-based nanoribbons due to enhanced phonon scattering. Recent reports indicating the importance of carrier scattering with substrate surface polar optical phonons in carbon nanotubes^1 and graphene^2,3 show that this mechanism may allow enhanced heat removal from the nanoribbon channel. To investigate the effects of hot phonon populations on current and heat conduction, we solve the graphene nanoribbon multiband Boltzmann transport equation. Monte Carlo transport techniques are used since phonon populations may be tracked and updated temporally.^4 The electronic structure is solved using the NRL Tight-Binding method,^5 where carriers are scattered by confined acoustic, optical, edge and substrate polar optical phonons. [1] S. V. Rotkin et al., Nano Lett. 9, 1850 (2009). [2] J. H. Chen, C. Jang, S. Xiao, M. Ishigami and M. S. Fuhrer, Nature Nanotech. 3, 206 (2008). [3] V. Perebeinos and P. Avouris, arXiv:0910.4665v1 [cond-mat.mes-hall] (2009). [4] P. Lugli et al., Appl. Phys. Lett. 50, 1251 (1987). [5] D. Finkenstadt, G. Pennington & M.J. Mehl, Phys. Rev. B 76, 121405(R) (2007).

  12. Thermodynamic coupling of heat and matter flows in near-field regions of nuclear waste repositories

    International Nuclear Information System (INIS)

    Carnahan, C.L.

    1983-11-01

    In near-field regions of nuclear waste repositories, thermodynamically coupled flows of heat and matter can occur in addition to the independent flows in the presence of gradients of temperature, hydraulic potential, and composition. The following coupled effects can occur: thermal osmosis, thermal diffusion, chemical osmosis, thermal filtration, diffusion thermal effect, ultrafiltration, and coupled diffusion. Flows of heat and matter associated with these effects can modify the flows predictable from the direct effects, which are expressed by Fourier's law, Darcy's law, and Fick's law. The coupled effects can be treated quantitatively together with the direct effects by the methods of the thermodynamics of irreversible processes. The extent of departure of fully coupled flows from predictions based only on consideration of direct effects depends on the strengths of the gradients driving flows, and may be significant at early times in backfills and in near-field geologic environments of repositories. Approximate calculations using data from the literature and reasonable assumptions of repository conditions indicate that thermal-osmotic and chemical-osmotic flows of water in semipermeable backfills may exceed Darcian flows by two to three orders of magnitude, while flows of solutes may be reduced greatly by ultrafiltration and chemical osmosis, relative to the flows predicted by advection and diffusion alone. In permeable materials, thermal diffusion may contribute to solute flows to a smaller, but still significant, extent

  13. Thermodynamic Performance of Heat Exchangers in a Free Piston Stirling Engine

    Directory of Open Access Journals (Sweden)

    Ayodeji Sowale

    2018-02-01

    Full Text Available There is an increasing request in energy recovery systems that are more efficient, environmentally friendly and economical. The free piston Stirling engine has been investigated due to its structural simplicity and high efficiency, coupled with its cogeneration ability. This study presents the numerical investigation of quasi-steady model of a gamma type free piston Stirling engine (FPSE, including the thermodynamic analysis of the heat exchangers. Advanced thermodynamic models are employed to derive the initial set of operational parameters of the FPSE due to the coupling of the piston’s (displacer and piston dynamics and the working process. The proximity effect of the heater and cooler on the regenerator effectiveness in relation to the heat losses, output power, net work and thermal efficiency of the FPSE are also observed and presented in this study. It can be observed that at temperatures of 541.3 °C and 49.8 °C of the heater and cooler, respectively, with heater volume of 0.004 m3, regenerator volume of 0.003 m3 and cooler volume of 0.005 m3, the FPSE produced an output performance of 996.7 W with a thermal efficiency of 23% at a frequency of 30 Hz. This approach can be employed to design effective high performance FPSE due to their complexity and also predict a satisfactory performance.

  14. Modeling ARRM Xenon Tank Pressurization Using 1D Thermodynamic and Heat Transfer Equations

    Science.gov (United States)

    Gilligan, Patrick; Tomsik, Thomas

    2016-01-01

    As a first step in understanding what ground support equipment (GSE) is required to provide external cooling during the loading of 5,000 kg of xenon into 4 aluminum lined composite overwrapped pressure vessels (COPVs), a modeling analysis was performed using Microsoft Excel. The goals of the analysis were to predict xenon temperature and pressure throughout loading at the launch facility, estimate the time required to load one tank, and to get an early estimate of what provisions for cooling xenon might be needed while the tanks are being filled. The model uses the governing thermodynamic and heat transfer equations to achieve these goals. Results indicate that a single tank can be loaded in about 15 hours with reasonable external coolant requirements. The model developed in this study was successfully validated against flight and test data. The first data set is from the Dawn mission which also utilizes solar electric propulsion with xenon propellant, and the second is test data from the rapid loading of a hydrogen cylindrical COPV. The main benefit of this type of model is that the governing physical equations using bulk fluid solid temperatures can provide a quick and accurate estimate of the state of the propellant throughout loading which is much cheaper in terms of computational time and licensing costs than a Computation Fluid Dynamics (CFD) analysis while capturing the majority of the thermodynamics and heat transfer.

  15. Modeling Xenon Tank Pressurization using One-Dimensional Thermodynamic and Heat Transfer Equations

    Science.gov (United States)

    Gilligan, Ryan P.; Tomsik, Thomas M.

    2017-01-01

    As a first step in understanding what ground support equipment (GSE) is required to provide external cooling during the loading of 5,000 kg of xenon into 4 aluminum lined composite overwrapped pressure vessels (COPVs), a modeling analysis was performed using Microsoft Excel. The goals of the analysis were to predict xenon temperature and pressure throughout loading at the launch facility, estimate the time required to load one tank, and to get an early estimate of what provisions for cooling xenon might be needed while the tanks are being filled. The model uses the governing thermodynamic and heat transfer equations to achieve these goals. Results indicate that a single tank can be loaded in about 15 hours with reasonable external coolant requirements. The model developed in this study was successfully validated against flight and test data. The first data set is from the Dawn mission which also utilizes solar electric propulsion with xenon propellant, and the second is test data from the rapid loading of a hydrogen cylindrical COPV. The main benefit of this type of model is that the governing physical equations using bulk fluid solid temperatures can provide a quick and accurate estimate of the state of the propellant throughout loading which is much cheaper in terms of computational time and licensing costs than a Computation Fluid Dynamics (CFD) analysis while capturing the majority of the thermodynamics and heat transfer.

  16. Application of the thermodynamic extremal principle to phase-field modeling of non-equilibrium solidification in multi-component alloys

    International Nuclear Information System (INIS)

    Zhang, Xiao; Wang, Haifeng; Kuang, Wangwang; Zhang, Jianbao

    2017-01-01

    Modeling of non-equilibrium solidification in multi-component alloys is of singular importance in microstructure control, which however owing to the complex systems with complex additional constraints is still an open problem. In this work, the thermodynamic extremal principle was applied to solve the complex additional constraints self-consistently in thermodynamics. Consequently, short-range solute redistribution and long-range solute diffusion that share the same mobility are integrated naturally into the solute diffusion equations, thus avoiding the introduction of additional kinetic coefficients (e.g. interface permeability) to describe solute redistribution. Application to the non-equilibrium solidification of Al-Si-Cu alloys shows that anomalous solute trapping and anomalous solute profiles within the diffuse interface could occur, thus highlighting the important effect of the interaction among the component elements on the interface kinetics. The current phase-field model might be preferred for simulations not only because of its simplest form of evolution equations but also its feasibility to increase the simulation efficiency by the “thin interface limit” analysis.

  17. The heat is on: thermodynamic analysis in fragment-based drug discovery

    NARCIS (Netherlands)

    Edink, E.S.; Jansen, C.J.W.; Leurs, R.; De Esch, I.J.

    2010-01-01

    Thermodynamic analysis provides access to the determinants of binding affinity, enthalpy and entropy. In fragment-based drug discovery (FBDD), thermodynamic analysis provides a powerful tool to discriminate fragments based on their potential for successful optimization. The thermodynamic data

  18. Three-body radiative heat transfer and Casimir-Lifshitz force out of thermal equilibrium for arbitrary bodies

    Science.gov (United States)

    Messina, Riccardo; Antezza, Mauro

    2014-05-01

    We study the Casimir-Lifshitz force and the radiative heat transfer in a system consisting of three bodies held at three independent temperatures and immersed in a thermal environment, the whole system being in a stationary configuration out of thermal equilibrium. The theory we develop is valid for arbitrary bodies, i.e., for any set of temperatures, dielectric, and geometrical properties, and describes each body by means of its scattering operators. For the three-body system we provide a closed-form unified expression of the radiative heat transfer and of the Casimir-Lifshitz force (both in and out of thermal equilibrium). This expression is thus first applied to the case of three planar parallel slabs. In this context we discuss the nonadditivity of the force at thermal equilibrium, as well as the equilibrium temperature of the intermediate slab as a function of its position between two external slabs having different temperatures. Finally, we consider the force acting on an atom inside a planar cavity. We show that, differently from the equilibrium configuration, the absence of thermal equilibrium admits one or more positions of minima for the atomic potential. While the corresponding atomic potential depths are very small for typical ground-state atoms, they may become particularly relevant for Rydberg atoms, becoming a promising tool to produce an atomic trap.

  19. Modelling reactive material transport in the near field of a repository for radioactive waste. Coupling the EMOS near field modules CLAYPOS and LOPOS with thermodynamic equilibrium calculations

    International Nuclear Information System (INIS)

    Moog, H.C.; Keesmann, S.M.

    2007-02-01

    This paper reports on the project ''Coupling transport models with thermodynamic equilibrium calculations'' - short title EQLINK, promotion code number 02 E 9723 - in the which the scope for coupling thermodynamic equilibrium model calculations with EMOS was expanded and improved. The first step was to inquire into the current state of research on radiolytic processes. It transpired that there is currently no conclusive description of radiolytic processes. The existing descriptions are too complex and too narrowly geared to specific scenarios to allow a general view on radiolytic processes, which would be a prerequisite for creating suitable long-term geochemical safety analysis modules. It appears that the approximation calculations implemented in EMOS tend to overestimate rather than underestimate radiolytic gas formation. The thermodynamic database which is used at GRS (Society for Plant and Reactor Safety) as a basis for coupled transport calculations has been updated. For this purpose the radionuclide database of the Institut fuer Nukleare Entsorgung (INE = Institute for Nuclear Disposal) was converted to an in-house format which permits creating parameter files for specific requirements. The data of the INE comprise thermodynamic parameters such as equilibrium constants, Gibbs free enthalpies of formation, enthalpies and entropies of formation and Pitzer parameters, which are required for model calculations on high-saline solutions. The database for low-saline solutions which had been developed by PSI/NAGRA for calculations with CLAYPOS was also adopted. Both parameter sets were subjected to test calculations to detect any errors that might have occurred during the data transfer. It is thus now possible to perform coupled transport calculations with the EMOS modules LOPOS and CLAYPOS according to the state of the art of geochemical research. The EQLINK interface which had been developed in an earlier project, titled ''Development of a model for describing the

  20. A sub-grid, mixture-fraction-based thermodynamic equilibrium model for gas phase combustion in FIRETEC: development and results

    Science.gov (United States)

    M. M. Clark; T. H. Fletcher; R. R. Linn

    2010-01-01

    The chemical processes of gas phase combustion in wildland fires are complex and occur at length-scales that are not resolved in computational fluid dynamics (CFD) models of landscape-scale wildland fire. A new approach for modelling fire chemistry in HIGRAD/FIRETEC (a landscape-scale CFD wildfire model) applies a mixture– fraction model relying on thermodynamic...

  1. An Introduction to Equilibrium Thermodynamics. A Rational Approach to Its Teaching. Part 2: Internal Energy, Entropy, and Temperature.

    Science.gov (United States)

    Williams, Donald F.; Glasser, David

    1991-01-01

    An approach that may be used to introduce the fundamental ideas of thermodynamics using a mathematical background with the knowledge of the behavior of matter is described. The physical background, conservation of energy, predicting the behavior of a system, and solving problems are topics of discussion. (KR)

  2. Thermodynamic analysis of a low-temperature waste heat recovery system based on the concept of solar chimney

    International Nuclear Information System (INIS)

    Chen, Kai; Wang, Jiangfeng; Dai, Yiping; Liu, Yuqi

    2014-01-01

    Highlights: • A low grade waste heat recovery system based on the concept of solar chimney is proposed. • The effects of three key factors on the system performance are examined. • Thermodynamics analysis is to find a better way to utilize low grade heat source efficiently. - Abstract: The utilization of low-temperature waste heat draws more and more attention due to serious energy crisis nowadays. This paper proposes a low-temperature waste heat recovery system based on the concept of solar chimney. In the system, low-temperature waste heat is used to heat air to produce an air updraft in the chimney tower. The air updraft propels a turbine fixed at the base of the chimney tower to convert waste heat into electricity. The mathematical model of the system is established based on first law and second law of thermodynamics. Hot water is selected as the representative of low-temperature waste heat sources for researching. The heat source temperature, ambient air temperature and area of heat transfer are examined to evaluate their effects on the system performance such as velocity of updraft, mass flow rate of air, power output, conversion efficiency, and exergy efficiency. The velocity of air demonstrates a better stability than the mass flow rate of air and the pressure difference when temperature of heat source, ambient air temperature or area of heat transfer changes

  3. Thermodynamic estimation: Ionic materials

    International Nuclear Information System (INIS)

    Glasser, Leslie

    2013-01-01

    Thermodynamics establishes equilibrium relations among thermodynamic parameters (“properties”) and delineates the effects of variation of the thermodynamic functions (typically temperature and pressure) on those parameters. However, classical thermodynamics does not provide values for the necessary thermodynamic properties, which must be established by extra-thermodynamic means such as experiment, theoretical calculation, or empirical estimation. While many values may be found in the numerous collected tables in the literature, these are necessarily incomplete because either the experimental measurements have not been made or the materials may be hypothetical. The current paper presents a number of simple and relible estimation methods for thermodynamic properties, principally for ionic materials. The results may also be used as a check for obvious errors in published values. The estimation methods described are typically based on addition of properties of individual ions, or sums of properties of neutral ion groups (such as “double” salts, in the Simple Salt Approximation), or based upon correlations such as with formula unit volumes (Volume-Based Thermodynamics). - Graphical abstract: Thermodynamic properties of ionic materials may be readily estimated by summation of the properties of individual ions, by summation of the properties of ‘double salts’, and by correlation with formula volume. Such estimates may fill gaps in the literature, and may also be used as checks of published values. This simplicity arises from exploitation of the fact that repulsive energy terms are of short range and very similar across materials, while coulombic interactions provide a very large component of the attractive energy in ionic systems. Display Omitted - Highlights: • Estimation methods for thermodynamic properties of ionic materials are introduced. • Methods are based on summation of single ions, multiple salts, and correlations. • Heat capacity, entropy

  4. Thermodynamic analysis and optimization of an ammonia-water power system with LNG (liquefied natural gas) as its heat sink

    International Nuclear Information System (INIS)

    Wang, Jiangfeng; Yan, Zhequan; Wang, Man; Dai, Yiping

    2013-01-01

    Due to a good behavior of ammonia-water during the two-phase heat addition process and the liquefied natural gas with great cold energy, an ammonia-water power system with LNG as its heat sink is proposed to utilize the low grade waste heat. Based on the thermodynamic mathematical models, the effects of key thermodynamic design parameters, including turbine inlet pressure, turbine inlet temperature, ammonia mass fraction, pinch temperature difference and approach temperature difference in the heat recovery vapor generator, on the system performance are examined from the view of both thermodynamics and economics. To obtain the optimum performance, multi-objective optimization is conducted to find the best thermodynamic design parameters from both thermodynamic and economic aspects using NSGA-II (Non-dominated sorting genetic algorithm-II). The exergy efficiency, total heat transfer capability and turbine size parameter are selected as three objective functions to maximize the exergy efficiency, and minimize the total heat transfer capability and turbine size parameter under the given waste heat conditions. The results show that turbine inlet pressure, turbine inlet temperature, ammonia mass fraction, pinch temperature difference and approach temperature difference have significant effects on the system performance. By multi-objective optimization, the Pareto frontier solution for the ammonia-water power system is obtained. - Highlights: ► An ammonia-water power system with LNG as its heat sink is proposed. ► The effects of key parameters on the system performance are examined. ► Multi-objective optimization is conducted to obtain optimum system performance

  5. Thermodynamics of binary mixtures of N-methyl-2-pyrrolidinone and ketone. Experimental results and modelling of the (solid + liquid) equilibrium and the (vapour + liquid) equilibrium. The modified UNIFAC (Do) model characterization

    International Nuclear Information System (INIS)

    Domanska, Urszula; Lachwa, Joanna

    2005-01-01

    The (solid + liquid) equilibrium (SLE) of eight binary systems containing N-methyl-2-pyrrolidinone (NMP) with (2-propanone, or 2-butanone, or 2-pentanone, or 3-pentanone, or cyclopentanone, or 2-hexanone, or 4-methyl-2-pentanone, or 3-heptanone) were carried out by using a dynamic method from T = 200 K to the melting point of the NMP. The isothermal (vapour + liquid) equilibrium data (VLE) have been measured for three binary mixtures of NMP with 2-propanone, 3-pentanone and 2-hexanone at pressure range from p = 0 kPa to p = 115 kPa. Data were obtained at the temperature T = 333.15 K for the first system and at T = 373.15 K for the second two systems. The experimental results of SLE have been correlated using the binary parameters Wilson, UNIQUAC ASM and two modified NRTL equations. The root-mean-square deviations of the solubility temperatures for all the calculated values vary from (0.32 K to 0.68 K) and depend on the particular equation used. The data of VLE were correlated with one to three parameters in the Redlich-Kister expansion. Binary mixtures of NMP with (2-propanone, or 2-butanone, or 2-pentanone, or 3-pentanone, or cyclopentanone, or 2-hexanone, or 4-methyl-2-pentanone, or 3-heptanone) have been investigated in the framework of the modified UNIFAC (Do) model. The reported new interaction parameters for NMP-group (c-CONCH 3 ) and carbonyl group ( C=O) let the model consistently described a set of thermodynamic properties, including (solid + liquid) equilibrium (vapour + liquid) equilibrium, excess Gibbs energy and molar excess enthalpies of mixing. Our experimental and literature data of binary mixtures containing NMP and ketones were compared with the results of prediction with the modified UNIFAC (Do) model

  6. Surface thermodynamics

    International Nuclear Information System (INIS)

    Garcia-Moliner, F.

    1975-01-01

    Basic thermodynamics of a system consisting of two bulk phases with an interface. Solid surfaces: general. Discussion of experimental data on surface tension and related concepts. Adsorption thermodynamics in the Gibbsian scheme. Adsorption on inert solid adsorbents. Systems with electrical charges: chemistry and thermodynamics of imperfect crystals. Thermodynamics of charged surfaces. Simple models of charge transfer chemisorption. Adsorption heat and related concepts. Surface phase transitions

  7. REMOVAL OF AN ACID DYE FROM AQUEOUS SOLUTIONS BY ADSORPTION ON A COMMERCIAL GRANULAR ACTIVATED CARBON: EQUILIBRIUM, KINETIC AND THERMODYNAMIC STUDY

    Directory of Open Access Journals (Sweden)

    Marius Sebastian Secula

    2011-12-01

    Full Text Available The present paper approaches the study of the adsorption of an acid dye on a commercial granular activated carbon (GAC. Batch experiments were conducted to study the equilibrium isotherms and kinetics of Indigo Carmine on GAC. The kinetic data were analyzed using the Lagargren, Ho, Elovich, Weber-Morris and Bangham models in order to establish the most adequate model that describes this process, and to investigate the rate of IC adsorption. Equilibrium data were fitted to Langmuir and Freundlich isotherms. Langmuir isotherm equilibrium model and Ho kinetic model fitted best the experimental data.The effects of temperature (25 – 45 °C, initial concentration of dye (7.5 – 150 mg•L−1, GAC dose (0.02 – 1 g•L-1, particle size (2 – 7 mm in diameter, solution pH (3 – 11 on GAC adsorption capacity were established. The adsorption process is found to be favored by a neutral pH, high values of temperature and small particle sizes. The highest adsorption capacity (133.8 mg•g-1 of the GAC is obtained at 45 °C. The removal efficiency increases with GAC dose at relatively low initial concentrations of dye. Thermodynamic parameters such as standard enthalpy (H, standard entropy (S and standard free energy (G were evaluated. The adsorption of Indigo Carmine onto GAC is an endothermic process.

  8. Thermodynamic investigation and optimization of laminar forced convection in a rotating helical tube heat exchanger

    International Nuclear Information System (INIS)

    Shi, Zhongyuan; Dong, Tao

    2014-01-01

    Highlights: • Variation of total entropy generation is investigated parametrically. • Pareto solution sets for heat transfer and flow friction components are obtained. • Dominant irreversibility component and impact of key variables are discussed. - Abstract: Based on the second law of thermodynamics, an entropy generation investigation is carried out under given dimensionless parameters, i.e. heat exchanger duty, heat flux, with respect to heat transfer and frictional pressure drop in a rotating helical tube heat exchanger with laminar convective flow. The entropy generation from heat transfer across a finite temperature difference – Ψ h decreases with increasing Dean number which represents the impact of centrifugal force induced secondary flow in enhancing heat transfer. Another aspect of increasing Dean number is that intensified momentum transfer in the radial direction also raises the entropy generation from frictional pressure drop – Ψ f , the superposed effect of which yields a decreasing–increasing trend of the total entropy generation-Ψ, a local minimum located in between. The rotation of the helical tube in streamwise (co-rotation) or counter streamwise (counter-rotation) direction leads to a decrease in Ψ h and a increase in Ψ f which complicates the situation that whether or where the minimum of total entropy generation exists is dependent on whether Ψ is dominated by Ψ h or Ψ f or somewhere in between. No difference is discerned between pairs of cases with constant wall temperature and uniform wall heat flux but the same set of variables and parameters. A multi-objective optimization targeting Ψ h and Ψ f simultaneously is implemented using the non-dominated sorting genetic algorithm II (NSGA II). Five solution sets are selected and compared with the conventional optimization in regard of Ψ distinguishing the Ψ h -dominated region from the Ψ f -dominated region, the dimensionless variable η 1 is found to be the most suitable

  9. Heat capacity and thermodynamic properties of N-(2-cyanoethyl) aniline (C9H10N2)

    International Nuclear Information System (INIS)

    Tian Qifeng; Tan Zhicheng; Shi Quan; Xu Fen; Sun Lixian; Zhang Tao

    2005-01-01

    The low temperature heat capacities of N-(2-cyanoethyl)aniline were measured with an automated adiabatic calorimeter over the temperature range from 83 to 353 K. The temperature corresponding to the maximum value of the apparent heat capacity in the fusion interval, molar enthalpy and entropy of fusion of this compound were determined to be 323.33 ± 0.13 K, 19.4 ± 0.1 kJ mol -1 and 60.1 ± 0.1 J K -1 mol -1 , respectively. Using the fractional melting technique, the purity of the sample was determined to be 99.0 mol% and the melting temperature for the tested sample and the absolutely pure compound were determined to be 323.50 and 323.99 K, respectively. A solid-to-solid phase transition occurred at 310.63 ± 0.15 K. The molar enthalpy and molar entropy of the transition were determined to be 980 ± 5 J mol -1 and 3.16 ± 0.02 J K -1 mol -1 , respectively. The thermodynamic functions of the compound [H T - H 298.15 ] and [S T - S 298.15 ] were calculated based on the heat capacity measurements in the temperature range of 83-353 K with an interval of 5 K

  10. Finite time thermodynamic analysis and optimization of solar-dish Stirling heat engine with regenerative losses

    Directory of Open Access Journals (Sweden)

    Sharma Arjun

    2011-01-01

    Full Text Available The present study investigates the performance of the solar-driven Stirling engine system to maximize the power output and thermal efficiency using the non-linearized heat loss model of the solar dish collector and the irreversible cycle model of the Stirling engine. Finite time thermodynamic analysis has been done for combined system to calculate the finite-rate heat transfer, internal heat losses in the regenerator, conductive thermal bridging losses and finite regeneration process time. The results indicate that exergy efficiency of dish system increases as the effectiveness of regenerator increases but decreases with increase in regenerative time coefficient. It is also found that optimal range of collector temperature and corresponding concentrating ratio are 1000 K~1400 K and 1100~1400, respectively in order to get maximum value of exergy efficiency. It is reported that the exergy efficiency of this dish system can reach the maximum value when operating temperature and concentrating ratio are 1150 K and 1300, respectively.

  11. Thermodynamic modelling of phase equilibrium in system Ti-B-Si-C, synthesis and phases composition of borides and carbides layers on titanic alloyVT-1 at electron beam treatment in vacuum

    Science.gov (United States)

    Smirnyagina, N. N.; Khaltanova, V. M.; Lapina, A. E.; Dasheev, D. E.

    2017-01-01

    Composite layers on the basis of carbides and borides the titan and silicon on titanic alloy VT-1 are generated at diffused saturation in vacuum. Formation in a composite of MAX phase Ti3SiC2 is shown. Thermodynamic research of phase equilibrium in systems Ti-Si-C and Ti-B-C in the conditions of high vacuum is executed. The thermodynamics, formation mechanisms of superfirm layers borides and carbides of the titan and silicon are investigated.

  12. Dissipation and the relaxation to equilibrium

    International Nuclear Information System (INIS)

    Evans, Denis J; Williams, Stephen R; Searles, Debra J

    2009-01-01

    Using the recently derived dissipation theorem and a corollary of the transient fluctuation theorem (TFT), namely the second-law inequality, we derive the unique time independent, equilibrium phase space distribution function for an ergodic Hamiltonian system in contact with a remote heat bath. We prove under very general conditions that any deviation from this equilibrium distribution breaks the time independence of the distribution. Provided temporal correlations decay, we show that any nonequilibrium distribution that is an even function of the momenta eventually relaxes (not necessarily monotonically) to the equilibrium distribution. Finally we prove that the negative logarithm of the microscopic partition function is equal to the thermodynamic Helmholtz free energy divided by the thermodynamic temperature and Boltzmann's constant. Our results complement and extend the findings of modern ergodic theory and show the importance of dissipation in the process of relaxation towards equilibrium

  13. Experimental measurement of phase equilibrium for gas hydrates of refrigerants, and thermodynamic modeling by SRK, VPT and CPA EOSs

    International Nuclear Information System (INIS)

    Karamoddin, Maryam; Varaminian, Farshad

    2013-01-01

    Highlights: • Three-phase equilibrium data, (VL W H), were measured for HCFC22 and HFC134a hydrates. • The pressures were evaluated by simple EoSs (modified mixing rule) and CPA EOS. • The Kihara potential parameters were obtained by optimizing scheme for refrigerants. -- Abstract: In this study, three-phase equilibrium conditions of hydrate-liquid–vapor, (VL W H), were experimentally determined for chlorodifluoromethane and 1,1,1,2-tetrafluoroethane gas hydrates at temperatures ranging from (278 to 290) K and (280 to 285) K respectively, at pressures ranging from (0.2 to 0.8) MPa. Then the different models were presented for estimating of the hydrate dissociation conditions of chlorodifluoromethane, 1,1,1,2-tetrafluoroethane and 1,1-difluoroethane refrigerants. The cubic simple equations of state (SRK and VPT) and the cubic plus association equation of state (CPA) were employed for modeling the vapor and liquid phases, also van der Waals–Platteeuw statistical model was used for the solid hydrate phase. In this paper, the binary interaction parameters of classic and modified mixing rules were optimized by using two-phase equilibrium data (VL W H). The Kihara potential parameters in each refrigerant were estimated using obtained experimental equilibrium data (VL W H) and based on the optimization scheme by the Nelder Mead optimization method. The agreement between the experimental and the predicted pressure is acceptable by using these models. The average deviation of models for chlorodifluoromethane, 1,1,1,2-tetrafluoroethane, and 1,1-difluoroethane hydrates is about 3%, 4.3%, and 3.6%, respectively

  14. Thermodynamic and Quantum Thermodynamic Analyses of Brownian Movement

    OpenAIRE

    Gyftopoulos, Elias P.

    2006-01-01

    Thermodynamic and quantum thermodynamic analyses of Brownian movement of a solvent and a colloid passing through neutral thermodynamic equilibrium states only. It is shown that Brownian motors and E. coli do not represent Brownian movement.

  15. Removal of Direct Red 12B by garlic peel as a cheap adsorbent: Kinetics, thermodynamic and equilibrium isotherms study of removal

    Science.gov (United States)

    Asfaram, A.; Fathi, M. R.; Khodadoust, S.; Naraki, M.

    2014-06-01

    The removal of dyes from industrial waste is very important from health and hygiene point of view and for environmental protection. In this work, efficiency and performance of garlic peel (GP) adsorbent for the removal of Direct Red 12B (DR12B) from wastewater was investigated. The influence of variables including pH, concentration of the dye and amount of adsorbent, particle size, contact time and temperature on the dye removal has been investigated. It was observed that the pseudo-second-order kinetic model fits better with good correlation coefficient and the equilibrium data fitted well with the Langmuir model. More than 99% removal efficiency was obtained within 25 min at adsorbent dose of 0.2 g per 50 ml for initial dye concentration of 50 mg L-1. Calculation of various thermodynamic parameters such as, Gibb's free energy, entropy and enthalpy of the on-going adsorption process indicate feasibility and endothermic nature of DR12B adsorption.

  16. Equilibrium, thermodynamic and kinetic studies for the biosorption of aqueous lead(II), cadmium(II) and nickel(II) ions on Spirulina platensis

    Energy Technology Data Exchange (ETDEWEB)

    Seker, Ayseguel [Department of Chemistry, Izmir Institute of Technology, Urla 35430, Izmir (Turkey)], E-mail: aysegulseker@iyte.edu.tr; Shahwan, Talal [Department of Chemistry, Izmir Institute of Technology, Urla 35430, Izmir (Turkey)], E-mail: talalshahwan@iyte.edu.tr; Eroglu, Ahmet E. [Department of Chemistry, Izmir Institute of Technology, Urla 35430, Izmir (Turkey)], E-mail: ahmeteroglu@iyte.edu.tr; Yilmaz, Sinan [Department of Chemistry, Izmir Institute of Technology, Urla 35430, Izmir (Turkey)], E-mail: sinanyilmaz@iyte.edu.tr; Demirel, Zeliha [Department of Biology, Ege University, Bornova 35100, Izmir (Turkey)], E-mail: zelihademirel@gmail.com; Dalay, Meltem Conk [Department of Bioengineering, Ege University, Bornova 35100, Izmir (Turkey)], E-mail: meltemconkdalay@gmail.com

    2008-06-15

    The biosorption of lead(II), cadmium(II) and nickel(II) ions from aqueous solution by Spirulina platensis was studied as a function of time, concentration, temperature, repetitive reactivity, and ionic competition. The kinetic results obeyed well the pseudo second-order model. Freundlich, Dubinin Radushkevich and Temkin isotherm models were applied in describing the equilibrium partition of the ions. Freundlich isotherm was applied to describe the design of a single-stage batch sorption system. According to the thermodynamic parameters such as {delta}G{sup o}, {delta}H{sup o}and {delta}S{sup o} calculated, the sorption process was endothermic and largely driven towards the products. Sorption activities in a three metal ion system were studied which indicated that there is a relative selectivity of the biosorbent towards Pb{sup 2+} ions. The measurements of the repetitive reusability of S. platensis indicated a large capacity towards the three metal ions.

  17. Equilibrium thermodynamics of the partitioning of non-steroidal anti-inflammatory drugs into human erythrocyte ghost membranes

    International Nuclear Information System (INIS)

    Omran, Ahmed A.

    2013-01-01

    Graphical abstract: Bar diagram representing thermodynamic parameters obtained for the partitioning of NSAIDs into human erythrocyte ghost membranes at physiological pH; 7.4. Highlights: • Partition coefficients of NSAIDs into HEG membranes were determined. • Thermodynamic parameters were evaluated and successfully analyzed. • Partitioning of NSAIDs into HEG membranes was exothermic. • Partitioning of NSAIDs into HEG is spontaneous with negative free energy values. • Identical partitioning enthalpy–entropy driven compensation mechanism was shown. -- Abstract: In this work,second derivative spectrophotometry was applied for determining the partition coefficients (K p s) of four non-steroidal anti-inflammatory drugs (NSAIDs; flufenamic, meclofenamic, mefenamic and niflumic acids) into human erythrocyte ghost (HEG) membranes over a temperature range from (283.2 to 313.2) K. The proposed method allowed the evaluation and direct analyses of thermodynamic parameters; enthalpy (ΔH W→M ), Gibbs energy (ΔG W→M ) and entropy (ΔS W→M ) changes of the partitioning of NSAIDs into HEG membranes. The partitioning of NSAIDs between polar aqueous phase and non-polar lipid bilayer HEG membrane phase was exothermic with negative (ΔH W→M ) which compensated for the changes in (ΔS W→M ). The negative values of (ΔG W→M ) revealed that the partitioning of NSAIDs into HEG, owing to their transfer from polar aqueous phase and non-polar HEG phase is spontaneous. The enthalpy–entropy correlation analysis resulted in a good linearity that suggests an identical partitioning enthalpy–entropy driven compensation mechanism for the studied NSAIDs

  18. Thermodynamic analysis of an in-cylinder waste heat recovery system for internal combustion engines

    International Nuclear Information System (INIS)

    Zhu, Sipeng; Deng, Kangyao; Qu, Shuan

    2014-01-01

    In this paper, an in-cylinder waste heat recovery system especially for turbocharged engines is proposed to improve the thermal efficiencies of internal combustion engines. Simplified recovery processes can be described as follows: superheated steam generated by engine waste heat is injected into the pipe before the turbine to increase the boost pressure of the fresh air; intake valve close timing is adjusted to control the amount of fresh air as the original level, and thus the higher pressure charged air expands in the intake stroke and transfers the pressure energy directly to the crankshaft. In this way, the increased turbine output by the pre-turbine steam injection is finally recovered in the cylinder, which is different from the traditional Rankine cycle. The whole energy transfer processes are studied with thermodynamic analyses and numerical simulations. The results show that the mass flow rate of the injected steam has the biggest influence on the energy transfer processes followed by the temperature of the injected steam. With this in-cylinder waste heat recovery system, the fuel economy of a selected turbocharged diesel engine can be improved by 3.2% at the rated operating point when the injected mass flow ratio is set to be 0.1. - Highlights: • An in-cylinder waste heat recovery system is proposed. • Effects of injected parameters are studied with energy and exergy balance theories. • Variations of operating points on the compressor map are studied in detail. • The fuel economy is improved by 3.2% at the rated operating point

  19. Thermodynamic evaluation of chemical looping combustion for combined cooling heating and power production driven by coal

    International Nuclear Information System (INIS)

    Fan, Junming; Hong, Hui; Zhu, Lin; Wang, Zefeng; Jin, Hongguang

    2017-01-01

    Highlights: • An ex-situ coal gasification chemical looping combustion integrated with CCHP process has been presented. • This novel process maintains a maximum energy efficiency of 60.34%. • The fossil energy saving ratio of this process is optimize to be 27.20%. - Abstract: This study carries out an investigation concerning on the benefits of ex-situ coal gasification chemical looping combustion integrated with combined cooling, heating and power generation (CCHP-CLC) by means of thermodynamic evaluation. The coal gasification syngas is introduced into chemical looping combustion for inherent separation of CO_2 without extra energy consumed. The combustion flue gases from both air reactor and fuel reactor are sequentially fed into gas turbines for electricity production, a heat recovery vapor generator unit for further electricity generation with driving a LiBr-H_2O absorption chiller for cooling production in summer and finally a heat exchanger for daily heat water production. A preliminary parameter analysis helps to obtain the optimum operating condition, as steam-to-coal ratio (S/C) of 0.05, oxygen-to-coal ratio (O/C) of 0.75, and operating pressure of chemical looping combustion process of 5 bar. The overall energy efficiency of the CCHP-CLC process is calculated equal to 58.20% in summer compared with that of 60.34% in winter. Importantly, by utilization of such process, the reduction potential of fossil fuel (coal) consumption has been demonstrated to be 23.36% in summer and 27.20% in winter.

  20. Molecular-Level Thermodynamic Switch Controls Chemical Equilibrium in Sequence-Specific Hydrophobic Interaction of 35 Dipeptide Pairs

    OpenAIRE

    Chun, Paul W.

    2003-01-01

    Applying the Planck-Benzinger methodology, the sequence-specific hydrophobic interactions of 35 dipeptide pairs were examined over a temperature range of 273–333 K, based on data reported by Nemethy and Scheraga in 1962. The hydrophobic interaction in these sequence-specific dipeptide pairs is highly similar in its thermodynamic behavior to that of other biological systems. The results imply that the negative Gibbs free energy change minimum at a well-defined stable temperature, 〈Ts〉, where t...

  1. Introduction to heat transfer

    International Nuclear Information System (INIS)

    Weisman, J.

    1983-01-01

    Heat may be defined as that form of energy which spontaneously flows between two bodies, or two regions of a body, by virtue of a temperature difference. The second law of thermodynamics tells us that we cannot have heat flow from a low temperature to high temperature without doing work. Heat flows spontaneously from a high temperature to a low temperature region. Thermodynamics, which is concerned with equilibrium states, cannot tell us anything about the rate of heat flow in the presence of a finite temperature difference. It is to the discipline of heat transfer to which we must turn for this answer

  2. Thermodynamic effects when utilizing waste heat from condensation in cases of a reduced vacuum in steam turbine plants of thermal power stations, to provide heat at low temperatures

    Energy Technology Data Exchange (ETDEWEB)

    Vasiljevic, N.; Savic, B.; Stojakovic, M.

    1986-01-01

    There is an interesting variant of cogeneration in the steam turbine system of a thermal power plant, i.e. the utilisation of the waste heat of condensation with a reduced vacuum without reconstruction of the thermal power plant. The thermodynamic effect in cogeneration was calculated in consideration of the dynamics of heat consumption. This cogeneration process has the advantage of saving primary energy without reconstruction of the thermal power plant.

  3. Thermodynamics of Radiation Modes

    Science.gov (United States)

    Pina, Eduardo; de la Selva, Sara Maria Teresa

    2010-01-01

    We study the equilibrium thermodynamics of the electromagnetic radiation in a cavity of a given volume and temperature. We found three levels of description, the thermodynamics of one mode, the thermodynamics of the distribution of frequencies in a band by summing over the frequencies in it and the global thermodynamics by summing over all the…

  4. Higher adsorption capacity of Spirulina platensis alga for Cr(VI) ions removal: parameter optimisation, equilibrium, kinetic and thermodynamic predictions.

    Science.gov (United States)

    Gunasundari, Elumalai; Senthil Kumar, Ponnusamy

    2017-04-01

    This study discusses about the biosorption of Cr(VI) ion from aqueous solution using ultrasonic assisted Spirulina platensis (UASP). The prepared UASP biosorbent was characterised by Fourier transform infrared spectroscopy, X-ray diffraction, Brunauer-Emmet-Teller, scanning electron spectroscopy and energy dispersive X-ray and thermogravimetric analyses. The optimum condition for the maximum removal of Cr(VI) ions for an initial concentration of 50 mg/l by UASP was measured as: adsorbent dose of 1 g/l, pH of 3.0, contact time of 30 min and temperature of 303 K. Adsorption isotherm, kinetics and thermodynamic parameters were calculated. Freundlich model provided the best results for the removal of Cr(VI) ions by UASP. The adsorption kinetics of Cr(VI) ions onto UASP showed that the pseudo-first-order model was well in line with the experimental data. In the thermodynamic study, the parameters like Gibb's free energy, enthalpy and entropy changes were evaluated. This result explains that the adsorption of Cr(VI) ions onto the UASP was exothermic and spontaneous in nature. Desorption of the biosorbent was done using different desorbing agents in which NaOH gave the best result. The prepared material showed higher affinity for the removal of Cr(VI) ions and this may be an alternative material to the existing commercial adsorbents.

  5. Thermodynamic, Kinetic, and Equilibrium Parameters for the Removal of Lead and Cadmium from Aqueous Solutions with Calcium Alginate Beads

    Directory of Open Access Journals (Sweden)

    Ruth Alfaro-Cuevas-Villanueva

    2014-01-01

    Full Text Available The sorption of cadmium (Cd and lead (Pb by calcium alginate beads (CAB from aqueous solutions in batch systems was investigated. The kinetic and thermodynamic parameters, as well as the sorption capacities of CAB in each system at different temperatures, were evaluated. The rate of sorption for both metals was rapid in the first 10 minutes and reached a maximum in 50 minutes. Sorption kinetic data were fitted to Lagergren, pseudo-second-order and Elovich models and it was found that the second-order kinetic model describes these data for the two metals; comparing kinetic parameters for Cd and Pb sorption a higher kinetic rate (K2 for Pb was observed, indicating that the interaction between lead cations and alginate beads was faster than for cadmium. Similarly, isotherm data were fitted to different models reported in literature and it was found that the Langmuir-Freundlich (L-F and Dubinin-Radushkevich (D-R models describe the isotherms in all cases. CAB sorption capacity for cadmium was 27.4 mg/g and 150.4 mg/g for lead, at 25°C. Sorption capacities of Cd and Pb increase as temperature rises. According to the thermodynamic parameters, the cadmium and lead adsorption process was spontaneous and endothermic. It was also found that pH has an important effect on the adsorption of these metals by CAB, as more were removed at pH values between 6 and 7.

  6. The Adsorption of Pb, Zn, Cu, Ni, and Cd by Modified Ligand in a Single Component Aqueous Solution: Equilibrium, Kinetic, Thermodynamic, and Desorption Studies

    Directory of Open Access Journals (Sweden)

    E. Igberase

    2017-01-01

    Full Text Available In this investigation, an amino functionalized adsorbent was developed by grafting 4-aminobenzoic acid onto the backbone of cross-linked chitosan beads. The 3 sets of beads including chitosan (CX, glutaraldehyde cross-linked chitosan (CCX, and 4-aminobenzoic acid grafted cross-linked chitosan (FGCX were characterized by FTIR, XRD, SEM, and TGA. The water content and amine concentration of FGCX were determined. The effect of adsorption parameters was studied and the optimum was used for further studies. Equilibrium data was obtained from the adsorption experiment carried out at different initial concentration; the data were applied in isotherm, thermodynamics, and kinetic studies. The Langmuir and Dubinin-Kaganer-Radushkevich (DKR models were successful in describing the isotherm data for the considered metal ions while the Freundlich and Temkin model fit some of the considered metal ions. Pseudo-second-order and intraparticle model described the kinetic data quite well. Thermodynamic parameters such as Gibb’s free energy change (ΔGo, enthalpy change (ΔHo, and entropy change (ΔSo were calculated and the results showed that the adsorption of Pb, Cu, Ni, Zn, and Cd ions onto FGCX is spontaneous and endothermic in nature. Regeneration of the spent adsorbent was efficient for the considered metal ions.

  7. Equilibrium, kinetics and thermodynamics studies of chitosan-based solid phase nanoparticles as sorbent for lead (II) cations from aqueous solution

    Energy Technology Data Exchange (ETDEWEB)

    Shaker, Medhat A., E-mail: drmashaker@yahoo.com [Current address: Chemistry Department, Faculty of Science, University of Jeddah, Jeddah (Saudi Arabia); Permanent address: Chemistry Department, Faculty of Science, Damanhour University, Damanhour (Egypt)

    2015-07-15

    Ternary nanoparticles of chitosan, non-viable biomass (Pseudomonas sp.) and gelatin, CPG were synthesized by chemical crosslinking method and applied as a novel and cost-effective solid phase to adsorb Pb(II) cations from aqueous solution. Characterization of the fabricated CPG nanoparticles and their complexation behavior were extensively interrogated by dynamic light scattering (DLS), FTIR, TGA, XRD and SEM techniques. The extent of adsorption was found to be a function of medium pH, contact time, initial Pb(II) concentration and temperature. The Langmuir, Freundlich, Dubinin–Radushkevich and Redlich–Peterson models were used to illustrate the isotherms of the adsorption system. The adsorption of Pb(II) cations onto CPG best-fits the Langmuir isotherm model which predicts two stoichiometric temperature-independent adsorption sites, A and B with variable capacities, 35.4 and 91.1 mg g{sup −1}, respectively and removal capacity above 90%. Thermodynamic studies revealed that the adsorption process was physical, spontaneous, and endothermic. The adsorption rate is influenced by temperature and the adsorption kinetic is well confirmed with pseudo-second-order equation compared with three other investigated kinetic models. Present study indicated potential applications of CPG nanoparticles as excellent natural and promising solid phase for Pb(II) extraction in wastewater treatment. - Graphical abstract: Display Omitted - Highlights: • Kinetics and thermodynamics of Pb{sup 2+} biosorption onto CPG nanoparticles are studied. • Adsorption kinetic data are best modeled using second-order rate equations. • The Pb{sup 2}adsorption onto CPG was physical diffusion controlled reaction. • The experimental equilibrium results well fit the Langmuir model. • The thermodynamics show endothermic, favorable and spontaneous adsorption processes.

  8. 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

    different types of cements. For example, the physicochemical evaluation of steel corrosion initiation can be studied by calculating the molar ratio of chloride ion to hydroxide ion in the pore solution. The model can, further, for example, calculate changes of solid-phase composition caused......) 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...

  9. Thermodynamic modelling of phase equilibrium for water + poly(Ethylene glycol + salt aqueous two-phase systems

    Directory of Open Access Journals (Sweden)

    R.A.G. Sé

    2002-04-01

    Full Text Available The NRTL (nonrandom, two-liquid model, expressed in mass fraction instead of mole fraction, was used to correlate liquid-liquid equilibria for aqueous two-phase polymer-salt solutions. New interaction energy parameters for this model were determined using reported data on the water + poly(ethylene glycol + salt systems, with different molecular masses for PEG and the salts potassium phosphate, sodium sulfate, sodium carbonate and magnesium sulfate. The correlation of liquid-liquid equilibrium is quite satisfactory.

  10. Influence of the choice of internal temperatures on the composition of CxHyOzNt plasmas out of thermodynamic equilibrium: Application to CH2 plasma

    International Nuclear Information System (INIS)

    Koalaga, Zacharie

    2002-01-01

    The purpose of this paper is to study the influence of the choice of internal temperatures on the composition of C x H y O z N t plasmas out of thermodynamic equilibrium. The numerical calculation is specially performed for CH 2 plasma in the pressure range 0.1-1 MPa and for the electron temperature range 5000-30 000 K. Precisely, the investigation of this plasma allows one to show that the choice of internal temperatures can have more influence on plasma composition than the choice of the form of the two-temperature Saha and Guldberg-Waage laws. Indeed, for one of the supposed hypotheses, it is observed that the two forms of the two-temperature system used here can give the same equilibrium composition by uncoupling the excitation temperature of the diatomic and the monatomic species. Great attention must then be given to the adopted hypothesis for internal temperature and not only to the form of the two temperature system used. An accurate comparison between the two models requires the measurement of plasma parameters such as the various internal temperatures and the species concentration. Therefore, we have also carried out an analysis of the potential experimental diagnostics of these plasma parameters. Such diagnostics can help to test and validate theoretical models

  11. New fundamental equations of thermodynamics for systems in chemical equilibrium at a specified partial pressure of a reactant and the standard transformed formation properties of reactants

    International Nuclear Information System (INIS)

    Alberty, R.A.; Oppenheim, I.

    1993-01-01

    When temperature, pressure, and the partial pressure of a reactant are fixed, the criterion of chemical equilibrium can be expressed in terms of the transformed Gibbs energy G' that is obtained by using a Legendre transform involving the chemical potential of the reactant that is fixed. For reactions of ideal gases, the most natural variables to use in the fundamental equation are T, P', and P B , where P' is the partial pressure of the reactants other than the one that is fixed and P B is the partial pressure of the reactant that is fixed. The fundamental equation for G' yields the expression for the transformed entropy S', and a transformed enthalpy can be defined by the additional Legendre transform H'=G'+TS'. This leads to an additional form of the fundamental equation. The calculation of transformed thermodynamic properties and equilibrium compositions is discussed for a simple system and for a general multireaction system. The change, in a reaction, of the binding of the reactant that is at a specified pressure can be calculated using one of the six Maxwell equations of the fundamental equation in G'

  12. Synthesis of a new low-cost activated carbon from activated sludge for the removal of Cr (Ⅵ) from aqueous solution: Equilibrium, kinetics, thermodynamics and desorption studies

    Energy Technology Data Exchange (ETDEWEB)

    Gorzin, Fatemeh; Ghoreyshi, Ali Asghar [Babol University of Technology, Babol (Iran, Islamic Republic of)

    2013-08-15

    Elimination of Cr (Ⅵ) from aqueous solution was investigated by a new low cost activated carbon developed from aerobically digested activated sludge (ADAS). The adsorbent demonstrated remarkable characteristics such as high surface area of 760m{sup 2}·g{sup −1} and large total pore volume of 0.8383 cm{sup 3}·g{sup −1}. The maximum equilibrium uptake of Cr (Ⅵ) was 70.15 mg·g{sup −1} at optimum pH 2.0. Interpretation of equilibrium data revealed that the best description was provided by the Freundlich isotherm. The kinetics of Cr (Ⅵ) adsorption was well described by the pseudo-second order equation. Calculation of thermodynamic parameters revealed that the adsorption process was endothermic, spontaneous and feasible.. The adsorbent was regenerated using NaOH and it was found to be suitable for reuse in successive adsorption-desorption cycles. The desorption efficiency of Cr (Ⅵ) ion was up to 78%. Finally, comparison of Cr (Ⅵ) adsorption capacity of the developed adsorbent with commercial activated carbon demonstrated its higher performance.

  13. Association of Finite-Time Thermodynamics and a Bond-Graph Approach for Modeling an Endoreversible Heat Engine

    Directory of Open Access Journals (Sweden)

    Michel Feidt

    2012-03-01

    Full Text Available In recent decades, the approach known as Finite-Time Thermodynamics has provided a fruitful theoretical framework for the optimization of heat engines operating between a heat source (at temperature and a heat sink (at temperature . The aim of this paper is to propose a more complete approach based on the association of Finite-Time Thermodynamics and the Bond-Graph approach for modeling endoreversible heat engines. This approach makes it possible for example to find in a simple way the characteristics of the optimal operating point at which the maximum mechanical power of the endoreversible heat engine is obtained with entropy flow rate as control variable. Furthermore it provides the analytical expressions of the optimal operating point of an irreversible heat engine where the energy conversion is accompanied by irreversibilities related to internal heat transfer and heat dissipation phenomena. This original approach, applied to an analysis of the performance of a thermoelectric generator, will be the object of a future publication.

  14. Heat-equilibrium low-temperature plasma decay in synthesis of ammonia via transient components N2H6

    International Nuclear Information System (INIS)

    Cao Guobin; Song Youqun; Chen Qing; Zhou Qiulan; Cao Yun; Wang Chunhe

    2001-01-01

    The author introduced a new method of heat-equilibrium low-temperature plasma in ammonia synthesis and a technique of continuous real-time inlet sampling mass-spectrometry to detect the reaction channel and step of the decay of transient component N 2 H 6 into ammonia. The experimental results indicated that in the process of ammonia synthesis by discharge of N 2 and H 2 mixture, the transient component N 2 H 6 is a necessary step

  15. Focus on adsorptive equilibrium, kinetics and thermodynamic components of petroleum produced water biocoagulation using novel Tympanotonos Fuscatus extract

    Directory of Open Access Journals (Sweden)

    Matthew Menkiti

    2018-03-01

    Full Text Available Adsorptive component of produced water (PW coagulation using Tympanotonos Fuscatus coagulant (TFC was studied. Influence of the following parameters: pH, coagulant dose, settling time, and temperature were investigated. The functional group, crystalline nature, morphological observation and thermal characteristics of the sample were evaluated. Equilibrium data were analyzed using Langmuir, Freundlich, Temkin, Frumkin, and Dubinin-Radushkevich (D-R adsorption isotherms. The kinetics data were fitted to reversible first order, pseudo-first-order, pseudo-second-order, elovich, intra-particle diffusion and Boyd kinetic models. Adsorption Gibbs energy, enthalpy and entropy were evaluated. Equilibrium data best fitted the Langmuir isotherm (R2 > 0.99; X2 < 1.6; SSE < 1.6. Reversible first order model correlated best to the kinetics data. The values of process average Gibb's free energy, enthalpy and entropy were 30.35, 27.88 and 0.1891 kJ/mol, respectively. The process was spontaneous, feasible and endothermic in nature. The maximum efficiency of 83.1% was favored at pH 2.0. This study indicated significant adsorptive component, while using Tympanotonos Fuscatus extract as readily available, renewable, ecofriendly bio – coagulant for efficient treatments of PW.

  16. Thermodynamic models for determination of solid–liquid equilibrium of the 6-benzyladenine in pure and binary organic solvents

    International Nuclear Information System (INIS)

    Li, Tao; Deng, Renlun; Wu, Gang; Gu, Pengfei; Hu, Yonghong; Yang, Wenge; Yu, Yemin; Zhang, Yuhao; Yang, Chen

    2017-01-01

    Highlights: • The solubility increased with increasing temperature. • Data were fitted using the modified Apelblat equation and other models in pure solvents. • Data were fitted using the modified Apelblat equation and other models in binary solvent mixture. - Abstract: Data on corresponding solid–liquid equilibrium of 6-benzyladenine in different solvents are essential for a preliminary study of industrial applications. In this paper, the solid–liquid equilibrium of 6-benzyladenine in methanol, ethanol, 1-butanol, acetone, acetonitrile, ethyl acetate, dimethyl formamide and tetrahydrofuran pure solvents and (dimethyl formamide + actone) mixture solvents was explored within the temperature range from (278.15 to 333.15) K under 0.1 MPa. For the temperature range investigated, the solubility of 6-benzyladenine in the solvents increased with increasing temperature. The solubility of 6-benzyladenine in dimethyl formamide is superior to other selected pure solvents. The modified Apelblat model, the Buchowski-Ksiazaczak λh model, and the ideal model were adopted to describe and predict the change tendency of solubility. Computational results showed that the modified Apelblat model has more advantages than the other two models. The solubility results were fitted using a modified Apelblat equation, a variant of the combined nearly ideal binary solvent/Redich-Kister (CNIBS/R-K) model, Jouyban-Acree model and Ma model in (dimethyl formamide + acetone) binary solvent mixture. Computational results showed that the modified Apelblat model is superior to the other equations.

  17. Application of Glycyrrhiza glabra Root as a Novel Adsorbent in the Removal of Toluene Vapors: Equilibrium, Kinetic, and Thermodynamic Study

    Directory of Open Access Journals (Sweden)

    Fazel Mohammadi-Moghadam

    2013-01-01

    Full Text Available The aim of this paper is to investigate the removal of toluene from gaseous solution through Glycyrrhiza glabra root (GGR as a waste material. The batch adsorption experiments were conducted at various conditions including contact time, adsorbate concentration, humidity, and temperature. The adsorption capacity was increased by raising the sorbent humidity up to 50 percent. The adsorption of toluene was also increased over contact time by 12 h when the sorbent was saturated. The pseudo-second-order kinetic model and Freundlich model fitted the adsorption data better than other kinetic and isotherm models, respectively. The Dubinin-Radushkevich (D-R isotherm also showed that the sorption by GGR was physical in nature. The results of the thermodynamic analysis illustrated that the adsorption process is exothermic. GGR as a novel adsorbent has not previously been used for the adsorption of pollutants.

  18. A consistent thermodynamics of the MHD wave-heated two-fluid solar wind

    Directory of Open Access Journals (Sweden)

    I. V. Chashei

    Full Text Available We start our considerations from two more recent findings in heliospheric physics: One is the fact that the primary solar wind protons do not cool off adiabatically with distance, but appear to be heated. The other one is that secondary protons, embedded in the solar wind as pick-up ions, behave quasi-isothermal at their motion to the outer heliosphere. These two phenomena must be physically closely connected with each other. To demonstrate this we solve a coupled set of enthalpy flow conservation equations for the two-fluid solar wind system consisting of primary and secondary protons. The coupling of these equations comes by the heat sources that are relevant, namely the dissipation of MHD turbulence power to the respective protons at the relevant dissipation scales. Hereby we consider both the dissipation of convected turbulences and the dissipation of turbulences locally driven by the injection of new pick-up ions into an unstable mode of the ion distribution function. Conversion of free kinetic energy of freshly injected secondary ions into turbulence power is finally followed by partial reabsorption of this energy both by primary and secondary ions. We show solutions of simultaneous integrations of the coupled set of differential thermodynamic two-fluid equations and can draw interesting conclusions from the solutions obtained. We can show that the secondary proton temperature with increasing radial distance asymptotically attains a constant value with a magnitude essentially determined by the actual solar wind velocity. Furthermore, we study the primary proton temperature within this two-fluid context and find a polytropic behaviour with radially and latitudinally variable polytropic indices determined by the local heat sources due to dissipated turbulent wave energy. Considering latitudinally variable solar wind conditions, as published by McComas et al. (2000, we also predict latitudinal variations of primary proton temperatures at

  19. A consistent thermodynamics of the MHD wave-heated two-fluid solar wind

    Directory of Open Access Journals (Sweden)

    I. V. Chashei

    2003-07-01

    Full Text Available We start our considerations from two more recent findings in heliospheric physics: One is the fact that the primary solar wind protons do not cool off adiabatically with distance, but appear to be heated. The other one is that secondary protons, embedded in the solar wind as pick-up ions, behave quasi-isothermal at their motion to the outer heliosphere. These two phenomena must be physically closely connected with each other. To demonstrate this we solve a coupled set of enthalpy flow conservation equations for the two-fluid solar wind system consisting of primary and secondary protons. The coupling of these equations comes by the heat sources that are relevant, namely the dissipation of MHD turbulence power to the respective protons at the relevant dissipation scales. Hereby we consider both the dissipation of convected turbulences and the dissipation of turbulences locally driven by the injection of new pick-up ions into an unstable mode of the ion distribution function. Conversion of free kinetic energy of freshly injected secondary ions into turbulence power is finally followed by partial reabsorption of this energy both by primary and secondary ions. We show solutions of simultaneous integrations of the coupled set of differential thermodynamic two-fluid equations and can draw interesting conclusions from the solutions obtained. We can show that the secondary proton temperature with increasing radial distance asymptotically attains a constant value with a magnitude essentially determined by the actual solar wind velocity. Furthermore, we study the primary proton temperature within this two-fluid context and find a polytropic behaviour with radially and latitudinally variable polytropic indices determined by the local heat sources due to dissipated turbulent wave energy. Considering latitudinally variable solar wind conditions, as published by McComas et al. (2000, we also predict latitudinal variations of primary proton temperatures at

  20. Adsorption equilibrium and thermodynamics of CO{sub 2} and CH{sub 4} on carbon molecular sieves

    Energy Technology Data Exchange (ETDEWEB)

    Song, Xue [College of Resource and Environmental Science, Chongqing University, Chongqing, 400044 (China); State key laboratory of coal and disaster and control, Chongqing University, Chongqing University, Chongqing, 400044 (China); Wang, Li’ao, E-mail: wangliao@cqu.edu.cn [College of Resource and Environmental Science, Chongqing University, Chongqing, 400044 (China); State key laboratory of coal and disaster and control, Chongqing University, Chongqing University, Chongqing, 400044 (China); Ma, Xu; Zeng, Yunmin [College of Resource and Environmental Science, Chongqing University, Chongqing, 400044 (China); State key laboratory of coal and disaster and control, Chongqing University, Chongqing University, Chongqing, 400044 (China)

    2017-02-28

    Highlights: • Impacts of pore structure on adsorption capacity of CO{sub 2} and CH{sub 4} on CMS were studied. • Thermodynamic properties of CO{sub 2} and CH{sub 4} at zero surface coverage were analyzed. • Variation of entropy change and Gibbs free energy with surface loading was explored. - Abstract: Carbon molecular sieves (CMS) are widely used in the separation of dioxide carbon and methane. In this research, three commercial CMS were utilized to analyze the pore structure and chemical properties. The adsorption isotherms of CO{sub 2} and CH{sub 4} were studied at 298 K, 308 K and 318 K over the pressure range of 0–1 MPa by an Intelligent Gravimetric analysis (IGA-100B, UK). Langmuir model was adopted to fit the experimental data. The working capacity and selectivity were employed to evaluate the adsorbents. The adsorption thermodynamics were discussed. The adsorbed amounts of both CO{sub 2} and CH{sub 4} are found to be highly related with the BET specific surface area and the volume of micropores, and also are interrelated with the total pore volume and micropore surface area. The standard enthalpy change (ΔH{sup Θ}), standard Gibbs free energy (ΔG{sup Θ}) and standard entropy change (ΔS{sup Θ}) at zero surface loading are negative, manifesting the adsorption process is exothermic and spontaneous, and the system tends to be ordered. With the increasing surface coverage, the absolute values of Gibbs free energy (ΔG) decrease whereas the absolute values of enthalpy change (ΔH) and entropy change(ΔS) increase. This indicates that as the adsorbed amount increases, the degree of the spontaneity reduces, the intermolecular forces among the adsorbate molecules increase, the orderliness of the system improves and the adsorbed amount approaches the maximum adsorbed capacity.

  1. Multi-band description of the specific heat and thermodynamic critical field in MgB2 superconductor

    Science.gov (United States)

    Szcześniak, R.; Jarosik, M. W.; Tarasewicz, P.; Durajski, A. P.

    2018-05-01

    The thermodynamic properties of MgB2 superconductor can be explained using the multi-band models. In the present paper we have examined the experimental data available in literature and we have found out that it is possible to reproduce the measured values of the superconducting energy gaps, the thermodynamic critical magnetic field and specific heat jump within the framework of two-band Eliashberg formalism and appropriate defined free energy difference between superconducting and normal state. Moreover, we found that the obtained results differ significantly from the predictions of the conventional Bardeen-Cooper-Schrieffer theory.

  2. Heat Activation of Phycomyces blakesleeanus Spores: Thermodynamics and Effect of Alcohols, Furfural, and High Pressure

    Science.gov (United States)

    Thevelein, Johan M.; Van Assche, Jozef A.; Carlier, Albert R.; Heremans, Karel

    1979-01-01

    The thermodynamic parameters for the heat activation of the sporangiospores of Phycomyces blakesleeanus were determined. For the apparent activation enthalpy (ΔH#) a value of 1,151 kJ/mol was found, whereas a value of 3,644 J./°K·mol was calculated for the apparent activation entropy (ΔS#). n-Alcohols (from methanol to octanol), phenethyl alcohol, and furfural lowered the activation temperature of P. blakesleeanus spores. The heat resistance of the spores was lowered concomitantly. The effect of the alcohols was a linear function of the concentration in the range that could be applied. When the log of the concentration needed to produce an equal shift of the activation temperature was plotted for each alochol against the log of the octanol/water partition coefficient, a straight line was obtained. The free energy of adsorption of the n-alcohols to their active sites was calculated to be −2,487 J/mol of CH2 groups. Although still inconclusive, this points toward an involvement of protein in the activation process. The effect of phenethyl alcohol was similar to the effect of n-alcohols, but furfural produced a greater shift than would be expected from the value of its partition coefficient. When the heat activation of the spores was performed under high pressure, the activation temperature was raised by 2 to 4°K/1,000 atm. However, with pressures higher than 1,000 atm (1.013 × 105 kPa) the activation temperature was lowered until the pressure became lethal (more than 2,500 atm). It is known that membrane phase transition temperatures are shifted upward by about 20°K/1,000 atm and that protein conformational changes are shifted upward by 2 to 6°K/1,000 atm. Consequently, heat activation of fungal spores seems to be triggered by a protein conformational change and not by a membrane phase transition. Activation volumes of −54.1 cm3/mol at 38°C and −79.3 cm2/mol at 40°C were found for the lowering effect of high pressure on the heat activation temperature

  3. A thermodynamic analysis of waste heat recovery from reciprocating engine power plants by means of Organic Rankine Cycles

    International Nuclear Information System (INIS)

    Uusitalo, Antti; Honkatukia, Juha; Turunen-Saaresti, Teemu; Larjola, Jaakko

    2014-01-01

    Organic Rankine Cycle (ORC) is a Rankine cycle using organic fluid as the working fluid instead of water and steam. The ORC process is a feasible choice in waste heat recovery applications producing electricity from relatively low-temperature waste heat sources or in applications having a rather low power output. Utilizing waste heat from a large high-efficiency reciprocating engine power plant with ORC processes is studied by means of computations. In addition to exhaust gas heat recovery, this study represents and discusses an idea of directly replacing the charge air cooler (CAC) of a large turbocharged engine with an ORC evaporator to utilize the charge air heat in additional power production. A thermodynamic analysis for ORCs was carried out with working fluids toluene, n-pentane, R245fa and cyclohexane. The effect of different ORC process parameters on the process performance are presented and analyzed in order to investigate the heat recovery potential from the exhaust gas and charge air. A simplified feasibility consideration is included by comparing the ratio of the theoretical heat transfer areas needed and the obtained power output from ORC processes. The greatest potential is related to the exhaust gas heat recovery, but in addition also the lower temperature waste heat streams could be utilized to boost the electrical power of the engine power plant. A case study for a large-scale gas-fired engine was carried out showing that the maximum power increase of 11.4% was obtained from the exhaust gas and 2.4% from the charge air heat. - Highlights: • Waste heat recovery potential of reciprocating engines was studied. • Thermodynamic optimization for ORCs was carried out with different fluids. • The utilization of exhaust gas and charge air heat is presented and discussed. • Simplified economic feasibility study was included in the analysis. • Power increase of 11.4% was obtained from exhaust gas and 2.4% from charge air

  4. Nanofluidics thermodynamic and transport properties

    CERN Document Server

    Michaelides, Efstathios E (Stathis)

    2014-01-01

    This volume offers a comprehensive examination of the subject of heat and mass transfer with nanofluids as well as a critical review of the past and recent research projects in this area. Emphasis is placed on the fundamentals of the transport processes using particle-fluid suspensions, such as nanofluids. The nanofluid research is examined and presented in a holistic way using a great deal of our experience with the subjects of continuum mechanics, statistical thermodynamics, and non-equilibrium thermodynamics of transport processes. Using a thorough database, the experimental, analytical, and numerical advances of recent research in nanofluids are critically examined and connected to past research with medium and fine particles as well as to functional engineering systems. Promising applications and technological issues of heat/mass transfer system design with nanofluids are also discussed. This book also: Provides a deep scientific analysis of nanofluids using classical thermodynamics and statistical therm...

  5. Kinetic, Thermodynamic and Equilibrium Studies on Uptake of Rhodamine B onto ZnCl2 Activated Low Cost Carbon

    Directory of Open Access Journals (Sweden)

    N. Bhadusha

    2012-01-01

    Full Text Available A carbonaceous adsorbent prepared from biomass waste like wood apple outer shell (Limonia acidissima by ZnCl2 treatment was investigated for its efficiency in removing Rhodamine B (RDB. Influence of agitation time, adsorbent dose, dye concentration, pH and temperature were explored. Two theoretical adsorption isotherms namely Langmuir and Freundlich were used to describe the experimental results. The Langmuir adsorption capacity (Qo was found to be 46.7 mg/g and the equilibrium parameter (RL values indicate favourable adsorption. The experimental data were well fitted with Langmuir isotherm model and pseudo second order kinetic model. Desorption studies showed that ion exchange mechanism might be involved in the adsorption process.

  6. Apparent heat capacity measurements and thermodynamic functions of D(−)-fructose by standard and temperature-modulated calorimetry

    International Nuclear Information System (INIS)

    Magoń, A.; Pyda, M.

    2013-01-01

    Highlights: ► Experimental, apparent heat capacity of fructose was investigated by advanced thermal analysis. ► Equilibrium melting parameters of fructose were determined. ► Decomposition, superheating of crystalline fructose during melting process were presented. ► TGA, DSC, and TMDSC are useful tools for characterisation of fructose. - Abstract: The qualitative and quantitative thermal analyses of crystalline and amorphous D(−)-fructose were studied utilising methods of standard differential scanning calorimetry (DSC), quasi-isothermal temperature-modulated differential scanning calorimetry (quasi-isothermal TMDSC), and thermogravimetric analysis (TGA). Advanced thermal analysis of fructose was performed based on heat capacity. The apparent total and apparent reversing heat capacities, as well as phase transition parameters were examined on heating and cooling. The melting temperature, T m , of crystalline D(−)-fructose shows a heating rate dependency, which increases with raising the heating rate and leads to superheating. The equilibrium melting temperatures: T m ∘ (onset) = 370 K and T m ∘ (peak) = 372 K, and the equilibrium enthalpy of fusion Δ fus H ° = 30.30 kJ · mol −1 , of crystalline D(−)-fructose were estimated on heating for the results at zero heating rate. Anomalies in the heat capacity in the liquid state of D(−)-fructose, assigned as possible tautomerisation equilibrium, were analysed by DSC and quasi-isothermal TMDSC, both on heating and cooling. Thermal stability of crystals in the region of the melting temperature was examined by TGA and quasi-isothermal TMDSC. Melting, mutarotation, and degradation processes occur simultaneously and there are differences in values of the liquid heat capacity of D(−)-fructose with varied thermal history, measured by quasi-isothermal TMDSC. Annealing of amorphous D(−)-fructose between the glass transition temperature, T g , and the melting temperature, T m , also leads to

  7. Eggshell Powder as an Adsorbent for Removal of Fluoride from Aqueous Solution: Equilibrium, Kinetic and Thermodynamic Studies

    Directory of Open Access Journals (Sweden)

    R. Bhaumik

    2012-01-01

    Full Text Available A new medium, eggshell powder has been developed for fluoride removal from aqueous solution. Fluoride adsorption was studied in a batch system where adsorption was found to be pH dependent with maximum removal efficiency at 6.0. The experimental data was more satisfactorily fitted with Langmuir isotherm model. The kinetics and the factor controlling adsorption process fully accepted by pseudo-second-order model were also discussed. Ea was found to be 45.98 kJmol-1 by using Arrhenius equation, indicating chemisorption nature of fluoride onto eggshell powder. Thermodynamic study showed spontaneous nature and feasibility of the adsorption process with negative enthalpy (∆H0 value also supported the exothermic nature. Batch experiments were performed to study the applicability of the adsorbent by using fluoride contaminated water collected from affected areas. These results indicate that eggshell powder can be used as an effective, low-cost adsorbent to remove fluoride from aqueous solution as well as groundwater.

  8. Effective Remediation of Lead Ions from Aqueous Solution by Chemically Carbonized Rubber Wood Sawdust: Equilibrium, Kinetics, and Thermodynamic Study

    Directory of Open Access Journals (Sweden)

    Swarup Biswas

    2015-01-01

    Full Text Available Rubber wood sawdust was carbonized into charcoal by chemical treatment which was used for removal of lead ion from aqueous solution. The work involves batch experiments to investigate the pH effect, initial concentration of adsorbate, contact time, and adsorbent dose. Experimental data confirmed that the adsorption capacities increased with increasing inlet concentration and bed height and decreased with increasing flow rate. Adsorption results showed a maximum adsorption capacity of 37 mg/g at 308 K. Langmuir, Freundlich, and Temkin model adsorption isotherm models were applied to analyze the process where Temkin was found as a best fitted model for present study. Simultaneously kinetics of adsorption like pseudo-first-order, pseudo-second-order, and intraparticle diffusion models were investigated. Thermodynamic parameters were used to analyze the adsorption experiment. Fourier transform infrared spectroscopy, scanning electron microscope, and energy dispersive X-ray spectroscopy confirmed the batch adsorption of lead ion onto chemically carbonized rubber wood sawdust.

  9. 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.

  10. Green Synthesis of Zinc Oxide Nanoparticles for Enhanced Adsorption of Lead Ions from Aqueous Solutions: Equilibrium, Kinetic and Thermodynamic Studies

    Directory of Open Access Journals (Sweden)

    Susan Azizi

    2017-06-01

    Full Text Available In the present study, ZnO nanoparticles (NPs were synthesized in zerumbone solution by a green approach and appraised for their ability to absorb Pb(II ions from aqueous solution. The formation of as-synthesized NPs was established by X-ray diffraction (XRD, Transmission Electron Microscopy (TEM, and UV–visible studies. The XRD and TEM analyses revealed high purity and wurtzite hexagonal structure of ZnO NPs with a mean size of 10.01 ± 2.6 nm. Batch experiments were performed to investigate the impact of process parameters viz. Pb(II concentration, pH of solution, adsorbent mass, solution temperature, and contact time variations on the removal efficiency of Pb(II. The adsorption isotherm data provided that the adsorption process was mainly monolayer on ZnO NPs. The adsorption process follows pseudo-second-order reaction kinetic. The maximum removal efficiencies were 93% at pH 5. Thermodynamic parameters such as enthalpy change (ΔH0, free energy change (ΔG0, and entropy change (ΔS0 were calculated; the adsorption process was spontaneous and endothermic. The good efficiency of the as-synthesized NPs makes them attractive for applications in water treatment, for removal of heavy metals from aqueous system.

  11. Breadnut peel as a highly effective low-cost biosorbent for methylene blue: Equilibrium, thermodynamic and kinetic studies

    Directory of Open Access Journals (Sweden)

    Linda B.L. Lim

    2017-05-01

    Full Text Available This work reports the potential use of peel of breadnut, Artocarpus camansi, as an effective low-cost biosorbent for the removal of methylene blue (MB. Oven dried A. camansi peel (ACP, which had a point of zero charge at pH = 4.8, showed maximum biosorption capacity which was far superior to most literature reported fruit biomasses, including samples that have been activated. Isotherm studies on biosorption of MB onto ACP gave a maximum biosorption capacity of 409 mg g−1. The Langmuir model was found to give the best fit among various isotherm models investigated and error analyses performed. Kinetics studies were fast with 50% dye being removed in less than 8 min from a 50 mg L−1 dye solution and further, kinetics followed the pseudo second order. Thermodynamic studies indicated that the biosorption process was both spontaneous and exothermic. Fourier transform infrared (FT-IR of ACP before and after MB adsorption was investigated. It can be concluded that oven dried breadnut peel is a highly promising low-cost biosorbent with great potential for the removal of MB.

  12. Equilibrium isotherms, kinetics, and thermodynamics studies for congo red adsorption using calcium alginate beads impregnated with nano-goethite.

    Science.gov (United States)

    Munagapati, Venkata Subbaiah; Kim, Dong-Su

    2017-07-01

    The present study is concerned with the batch adsorption of congo red (CR) from an aqueous solution using calcium alginate beads impregnated with nano-goethite (CABI nano-goethite) as an adsorbent. The optimum conditions for CR removal were determined by studying operational variables viz. pH, adsorbent dose, contact time, initial dye ion concentration and temperature. The CABI nano-goethite was characterized by Fourier transform infrared spectroscopy (FTIR), X- ray diffraction (XRD) and Scanning electron microscopy/energy dispersive spectroscopy (SEM/EDS) analysis. The CR sorption data onto CABI nano-goethite were described using Langmuir, Freundlich, Dubinin-Radushkevich and Temkin isotherm models. The results show that the best fit was achieved with the Langmuir isotherm model. The maximum adsorption capacity (181.1mg/g) of CR was occurred at pH 3.0. Kinetic studies showed that the adsorption followed a pseudo-second-order model. Desorption experiments were carried out to explore the feasibility of regenerating the adsorbent and the adsorbed CR from CABI nano-goethite. The best desorbing agent was 0.1M NaOH with an efficiency of 94% recovery. The thermodynamic parameters ΔG°, ΔH°, and ΔS° for the CR adsorption were determined by using adsorption capacities at five different temperatures (293, 303, 313, 323 and 303K). Results show that the adsorption process was endothermic and favoured at high temperature. Copyright © 2017 Elsevier Inc. All rights reserved.

  13. The removal of Tartrazine dye by modified Alumina with sodium dodecyl sulfate from aqueous solutions: equilibrium and thermodynamic studies

    Directory of Open Access Journals (Sweden)

    A. Parchebaf Jadid

    2017-11-01

    Full Text Available Edible colors are materials which in the case of adding to food and drinks cause transferring color to them. Most of these colors are not acceptable in terms of applying in human food and underlies various diseases like gastrointestinal disorders, renal, liver and blood toxicity. The goal of this study was investigating the efficiency of improved alumina by sodium dodecyl sulfate (SDS in eliminating Tartrazine from aqueous environments. In this research, the impact of effective parameters such as initial concentration of Tartrazine, time, pH, alumina dose and SDS value were studied in order to approach an optimal condition for eliminating the color. Also, absorption behavior was evaluated by Freundlich and Langmuir isotherms. The highest efficiency of Tartrazine elimination in the solution resulted in optimal pH of 2, the amount of adsorbent 1.5 g/L, 16 min duration and value 0.04 SDS g/l which was obtained for dye concentration 5 mg/L about 94.13%. Also, results suggested that Tartrazine absorption follows Langmuir isotherm (R2 = 0.9867. Obtained results from thermodynamic studies such as Gibbs free energy (-5.728 Kj/mol and enthalpy (-85.86 Kj/mol and entropy (-271.102 J/mol.K also suggested that the absorption process was exothermic. The results of this research suggested that improved alumina by sodium dodecyl sulfate had a relative good capability in Tartrazine elimination from aqueous environments. Thus

  14. Solid–liquid equilibrium and thermodynamic research of 3-Thiophenecarboxylic acid in (water + acetic acid) binary solvent mixtures

    International Nuclear Information System (INIS)

    Liu, Xiang; Liang, Mengmeng; Hu, Yonghong; Yang, Wenge; Shi, Ying; Yin, Jingjing; Liu, Yan

    2014-01-01

    Highlights: • The solubility was measured in (water + acetic acid) from 283.15 to 338.15 K. • The solubility increased with increasing temperature and water contents. • The modified Apelblat equation was more accurate than the λh equation. - Abstract: In this study, the solubility of 3-thiophenecarboxylic acid was measured in (water + acetic acid) binary solvent mixtures in the temperature ranging from 283.15 to 338.15 K by the analytical stirred-flask method under atmospheric pressure. The experimental data were well-correlated with the modified Apelblat equation and the λh equation. In addition, the calculated solubilities showed good agreement with the experimental results. It was found that the modified Apelblat equation could obtain the better correlation results than the λh equation. The experiment results indicated that the solubility of 3-thiophenecarboxylic acid in the binary solvents increased with increasing temperature, increases with increasing water contents, but the increments with temperature differed from different water contents. In addition, the thermodynamic properties of the solution process, including the Gibbs energy, enthalpy, and entropy were calculated by the van’t Hoff analysis. The experimental data and model parameters would be useful for optimizing the process of purification of 3-thiophenecarboxylic acid in industry

  15. Use of the nonsteady monotonic heating method for complex determination of thermophysical properties of chemically reacting mixture in the case of non-equilibrium proceeding of the chemical reaction

    International Nuclear Information System (INIS)

    Serebryanyj, G.Z.

    1984-01-01

    Theoretical analysis is made for the monotonic heating method as applied for complex determination of thermophysical properties of chemically reacting gases. The possibility is shown of simultaneous determination of frozen and equilibrium heat capacity, frozen and equilibrium heat conduction provided non-equilibrium occuring of the reaction in the wide range of temperatures and pressures. The monotonic heating method can be used for complex determination of thermophysical properties of chemically reacting systems in case of non-equilibrium proceeding of the chemical reaction

  16. Thermodynamics investigation of a solar power system integrated oil and molten salt as heat transfer fluids

    International Nuclear Information System (INIS)

    Liu, Qibin; Bai, Zhang; Sun, Jie; Yan, Yuejun; Gao, Zhichao; Jin, Hongguang

    2016-01-01

    Highlights: • A new concentrating solar power system with a dual-solar field is proposed. • The superheated steam with more than 773 K is produced. • The performances of the proposed system are demonstrated. • The economic feasibility of the proposed system is validated. - Abstract: In this paper, a new parabolic trough solar power system that incorporates a dual-solar field with oil and molten salt as heat transfer fluids (HTFs) is proposed to effectively utilize the solar energy. The oil is chosen as a HTF in the low temperature solar field to heat the feeding water, and the high temperature solar field uses molten salt to superheat the steam that the temperature is higher than 773 K. The produced superheated steam enters a steam turbine to generate power. Energy analysis and exergy analysis of the system are implemented to evaluate the feasibility of the proposed system. Under considerations of variations of solar irradiation, the on-design and off-design thermodynamic performances of the system and the characteristics are investigated. The annual average solar-to-electric efficiency and the nominal efficiency under the given condition for the proposed solar thermal power generation system reach to 15.86% and 22.80%, which are higher than the reference system with a single HTF. The exergy losses within the solar heat transfer process of the proposed system are reduced by 7.8% and 45.23% compared with the solar power thermal systems using oil and molten salt as HTFs, respectively. The integrated approach with oil and molten salt as HTFs can make full use of the different physical properties of the HTFs, and optimize the heat transfer process between the HTFs and the water/steam. The exergy loss in the water evaporation and superheated process are reduced, the system efficiency and the economic performance are improved. The research findings provide a new approach for the improvement of the performances of solar thermal power plants.

  17. Novel experimental methodology for the characterization of thermodynamic performance of advanced working pairs for adsorptive heat transformers

    International Nuclear Information System (INIS)

    Frazzica, Andrea; Sapienza, Alessio; Freni, Angelo

    2014-01-01

    This paper presents a novel experimental protocol for the evaluation of the thermodynamic performance of working pairs for application in adsorption heat pumps and chillers. The proposed approach is based on the experimental measurements of the main thermo-physical parameters of adsorbent pairs, by means of a DSC/TG apparatus modified to work under saturated vapour conditions, able to measure the ads-/desorption isobars and heat flux as well as the adsorbent specific heat under real boundary conditions. Such kind of activity allows to characterize the thermodynamic performance of an adsorbent pair allowing the estimation of the thermal Coefficient Of Performance (COP) both for heating and cooling applications, only relying on experimental values. The experimental uncertainty of the method has been estimated to be around 2%, for the COP evaluation. In order to validate the proposed procedure, a first test campaign has been carried out on the commercial adsorbent material, AQSOA-Z02, produced by MPI (Mitsubishi Plastics Inc.), while water was used as refrigerant. The proposed experimental methodology will be applied on several other adsorbent materials, either already on the market or still under investigation, in order to get an easy and reliable method to compare thermodynamic performance of adsorptive working pairs

  18. Generalization of Gibbs Entropy and Thermodynamic Relation

    OpenAIRE

    Park, Jun Chul

    2010-01-01

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

  19. Thermodynamic optimization of mixed refrigerant Joule- Thomson systems constrained by heat transfer considerations

    International Nuclear Information System (INIS)

    Hinze, J F; Klein, S A; Nellis, G F

    2015-01-01

    Mixed refrigerant (MR) working fluids can significantly increase the cooling capacity of a Joule-Thomson (JT) cycle. The optimization of MRJT systems has been the subject of substantial research. However, most optimization techniques do not model the recuperator in sufficient detail. For example, the recuperator is usually assumed to have a heat transfer coefficient that does not vary with the mixture. Ongoing work at the University of Wisconsin-Madison has shown that the heat transfer coefficients for two-phase flow are approximately three times greater than for a single phase mixture when the mixture quality is between 15% and 85%. As a result, a system that optimizes a MR without also requiring that the flow be in this quality range may require an extremely large recuperator or not achieve the performance predicted by the model. To ensure optimal performance of the JT cycle, the MR should be selected such that it is entirely two-phase within the recuperator. To determine the optimal MR composition, a parametric study was conducted assuming a thermodynamically ideal cycle. The results of the parametric study are graphically presented on a contour plot in the parameter space consisting of the extremes of the qualities that exist within the recuperator. The contours show constant values of the normalized refrigeration power. This ‘map’ shows the effect of MR composition on the cycle performance and it can be used to select the MR that provides a high cooling load while also constraining the recuperator to be two phase. The predicted best MR composition can be used as a starting point for experimentally determining the best MR. (paper)

  20. Thermodynamic system with a heat machine, that uses renewable energy sources

    International Nuclear Information System (INIS)

    Petkovski, Nikola

    2013-01-01

    In the recent time, the need of utilization of the renewable energy sources within the energy production constantly increases. This master work comprises a textual description and a practical work-out of a thermodynamic system operating by the use of the renewable energy sources, aimed to accomplish a mechanical operation that is being transformed into electricity. The system operates by the use of thermal energy arriving from the Sun and/or the ambient heat. In addition, the system may also operate by the use of thermal energy released from various operations. Cooling of the system is provided mainly by the water evaporation endothermal process. Advantage of this system is seen in the fact that it is readily manufactured. The system may be used, inter alia, in the production of electricity in the regions lacking any electrical network. This work also comprises a simple solar collector and storage unit that may be used as a thermal energy source to be used in the operation of the system. (author)

  1. Kinetics, equilibrium, and thermodynamics investigation on the adsorption of lead(II) by coal-based activated carbon.

    Science.gov (United States)

    Yi, Zhengji; Yao, Jun; Zhu, Mijia; Chen, Huilun; Wang, Fei; Liu, Xing

    2016-01-01

    The goal of this research is to investigate the feasibility of using activated coal-based activated carbon (CBAC) to adsorb Pb(II) from aqueous solutions through batch tests. Effects of contact time, pH, temperature and initial Pb(II) concentration on the Pb(II) adsorption were examined. The Pb(II) adsorption is strongly dependent on pH, but insensitive to temperature. The best pH for Pb(II) removal is in the range of 5.0-5.5 with more than 90 % of Pb(II) removed. The equilibrium time was found to be 60 min and the adsorption data followed the pseudo-second-order kinetics. Isotherm data followed Langmuir isotherm model with a maximum adsorption capacity of 162.33 mg/g. The adsorption was exothermic and spontaneous in nature. The Fourier transform infrared spectroscopy and scanning electron microscopy analysis suggested that CBAC possessed a porous structure and was rich in carboxyl and hydroxyl groups on its surface, which might play a major role in Pb(II) adsorption. These findings indicated that CBAC has great potential as an alternative adsorbent for Pb(II) removal.

  2. Theoretical calculation of reorganization energy for electron self-exchange reaction by constrained density functional theory and constrained equilibrium thermodynamics.

    Science.gov (United States)

    Ren, Hai-Sheng; Ming, Mei-Jun; Ma, Jian-Yi; Li, Xiang-Yuan

    2013-08-22

    Within the framework of constrained density functional theory (CDFT), the diabatic or charge localized states of electron transfer (ET) have been constructed. Based on the diabatic states, inner reorganization energy λin has been directly calculated. For solvent reorganization energy λs, a novel and reasonable nonequilibrium solvation model is established by introducing a constrained equilibrium manipulation, and a new expression of λs has been formulated. It is found that λs is actually the cost of maintaining the residual polarization, which equilibrates with the extra electric field. On the basis of diabatic states constructed by CDFT, a numerical algorithm using the new formulations with the dielectric polarizable continuum model (D-PCM) has been implemented. As typical test cases, self-exchange ET reactions between tetracyanoethylene (TCNE) and tetrathiafulvalene (TTF) and their corresponding ionic radicals in acetonitrile are investigated. The calculated reorganization energies λ are 7293 cm(-1) for TCNE/TCNE(-) and 5939 cm(-1) for TTF/TTF(+) reactions, agreeing well with available experimental results of 7250 cm(-1) and 5810 cm(-1), respectively.

  3. Optimum design of dual pressure heat recovery steam generator using non-dimensional parameters based on thermodynamic and thermoeconomic approaches

    International Nuclear Information System (INIS)

    Naemi, Sanaz; Saffar-Avval, Majid; Behboodi Kalhori, Sahand; Mansoori, Zohreh

    2013-01-01

    The thermodynamic and thermoeconomic analyses are investigated to achieve the optimum operating parameters of a dual pressure heat recovery steam generator (HRSG), coupled with a heavy duty gas turbine. In this regard, the thermodynamic objective function including the exergy waste and the exergy destruction, is defined in such a way to find the optimum pinch point, and consequently to minimize the objective function by using non-dimensional operating parameters. The results indicated that, the optimum pinch point from thermodynamic viewpoint is 2.5 °C and 2.1 °C for HRSGs with live steam at 75 bar and 90 bar respectively. Since thermodynamic analysis is not able to consider economic factors, another objective function including annualized installation cost and annual cost of irreversibilities is proposed. To find the irreversibility cost, electricity price and also fuel price are considered independently. The optimum pinch point from thermoeconomic viewpoint on basis of electricity price is 20.6 °C (75 bar) and 19.2 °C (90 bar), whereas according to the fuel price it is 25.4 °C and 23.7 °C. Finally, an extensive sensitivity analysis is performed to compare optimum pinch point for different electricity and fuel prices. -- Highlights: ► Presenting thermodynamic and thermoeconomic optimization of a heat recovery steam generator. ► Defining an objective function consists of exergy waste and exergy destruction. ► Defining an objective function including capital cost and cost of irreversibilities. ► Obtaining the optimized operating parameters of a dual pressure heat recovery boiler. ► Computing the optimum pinch point using non-dimensional operating parameters

  4. Fine-particle pH for Beijing winter haze as inferred from different thermodynamic equilibrium models

    Directory of Open Access Journals (Sweden)

    S. Song

    2018-05-01

    Full Text Available pH is an important property of aerosol particles but is difficult to measure directly. Several studies have estimated the pH values for fine particles in northern China winter haze using thermodynamic models (i.e., E-AIM and ISORROPIA and ambient measurements. The reported pH values differ widely, ranging from close to 0 (highly acidic to as high as 7 (neutral. In order to understand the reason for this discrepancy, we calculated pH values using these models with different assumptions with regard to model inputs and particle phase states. We find that the large discrepancy is due primarily to differences in the model assumptions adopted in previous studies. Calculations using only aerosol-phase composition as inputs (i.e., reverse mode are sensitive to the measurement errors of ionic species, and inferred pH values exhibit a bimodal distribution, with peaks between −2 and 2 and between 7 and 10, depending on whether anions or cations are in excess. Calculations using total (gas plus aerosol phase measurements as inputs (i.e., forward mode are affected much less by these measurement errors. In future studies, the reverse mode should be avoided whereas the forward mode should be used. Forward-mode calculations in this and previous studies collectively indicate a moderately acidic condition (pH from about 4 to about 5 for fine particles in northern China winter haze, indicating further that ammonia plays an important role in determining this property. The assumed particle phase state, either stable (solid plus liquid or metastable (only liquid, does not significantly impact pH predictions. The unrealistic pH values of about 7 in a few previous studies (using the standard ISORROPIA model and stable state assumption resulted from coding errors in the model, which have been identified and fixed in this study.

  5. A mixed integer linear programming model for integrating thermodynamic cycles for waste heat exploitation in process sites

    International Nuclear Information System (INIS)

    Oluleye, Gbemi; Smith, Robin

    2016-01-01

    Highlights: • MILP model developed for integration of waste heat recovery technologies in process sites. • Five thermodynamic cycles considered for exploitation of industrial waste heat. • Temperature and quantity of multiple waste heat sources considered. • Interactions with the site utility system considered. • Industrial case study presented to illustrate application of the proposed methodology. - Abstract: Thermodynamic cycles such as organic Rankine cycles, absorption chillers, absorption heat pumps, absorption heat transformers, and mechanical heat pumps are able to utilize wasted thermal energy in process sites for the generation of electrical power, chilling and heat at a higher temperature. In this work, a novel systematic framework is presented for optimal integration of these technologies in process sites. The framework is also used to assess the best design approach for integrating waste heat recovery technologies in process sites, i.e. stand-alone integration or a systems-oriented integration. The developed framework allows for: (1) selection of one or more waste heat sources (taking into account the temperatures and thermal energy content), (2) selection of one or more technology options and working fluids, (3) selection of end-uses of recovered energy, (4) exploitation of interactions with the existing site utility system and (5) the potential for heat recovery via heat exchange is also explored. The methodology is applied to an industrial case study. Results indicate a systems-oriented design approach reduces waste heat by 24%; fuel consumption by 54% and CO_2 emissions by 53% with a 2 year payback, and stand-alone design approach reduces waste heat by 12%; fuel consumption by 29% and CO_2 emissions by 20.5% with a 4 year payback. Therefore, benefits from waste heat utilization increase when interactions between the existing site utility system and the waste heat recovery technologies are explored simultaneously. The case study also shows

  6. Kinetic, equilibrium and thermodynamic studies on sorption of uranium and thorium from aqueous solutions by a selective impregnated resin containing carminic acid

    International Nuclear Information System (INIS)

    Rahmani-Sani, Abolfazl; Hosseini-Bandegharaei, Ahmad; Hosseini, Seyyed-Hossein; Kharghani, Keivan; Zarei, Hossein; Rastegar, Ayoob

    2015-01-01

    Highlights: • The objective of the study is to investigate the potential application of a selective EIR for sorption of U(VI) and Th(IV) ions. • The effects of several physiochemical parameters were investigated. • The sorption kinetics and sorption isotherms were used to explain the sorption mechanism. • The thermodynamic studies showed the feasibility of sorption process. • The EIR beads showed a great potential for effective removal of U(VI) and Th(IV) ions. - Abstract: In this work, the removal of uranium and thorium ions from aqueous solutions was studied by solid–liquid extraction using an advantageous extractant-impregnated resin (EIR) prepared by loading carminic acid (CA) onto Amberlite XAD-16 resin beads. Batch sorption experiments using CA/XAD-16 beads for the removal of U(VI) and Th(IV) ions were carried out as a function of several parameters, like equilibration time, metal ion concentration, etc. The equilibrium data obtained from the sorption experiments were adjusted to the Langmuir isotherm model and the calculated maximum sorption capacities in terms of monolayer sorption were in agreement with those obtained from the experiments. The experimental data on the sorption behavior of both metal ions onto the EIR beads fitted well in both Bangham and intra-particle diffusion kinetic models, indicating that the intra-particle diffusion is the rate-controlling step. The thermodynamic studies at different temperatures revealed the feasibility and the spontaneous nature of the sorption process for both uranium and thorium ions

  7. Mathematical foundations of thermodynamics

    CERN Document Server

    Giles, R; Stark, M; Ulam, S

    2013-01-01

    Mathematical Foundations of Thermodynamics details the core concepts of the mathematical principles employed in thermodynamics. The book discusses the topics in a way that physical meanings are assigned to the theoretical terms. The coverage of the text includes the mechanical systems and adiabatic processes; topological considerations; and equilibrium states and potentials. The book also covers Galilean thermodynamics; symmetry in thermodynamics; and special relativistic thermodynamics. The book will be of great interest to practitioners and researchers of disciplines that deal with thermodyn

  8. Introduction to the generalized theory of non-equilibrium Cahn-Hilliard phase transitions (Thermodynamic problems in continuum mechanics

    Directory of Open Access Journals (Sweden)

    Eugeniy A. Lukashev

    2017-11-01

    Full Text Available The occurrence of convective currents and their development from regular forms with the subsequent transition to irregular turbulent currents draw attention to the fact that they are responsible for the efficiency of many technological processes of heat and mass transfer. Such technological processes are basic in the chemical, petrochemical, power, metallurgical and other industries. Convective flows arise in liquids and gases in the gravitational field in the presence of spatial inhomogeneity of the density created by the inhomogeneity of the temperature and the concentration of components arising during, for example, chemical reactions or other causes. With increasing temperature difference, the resting liquid loses its stability, which then leads to the appearance of a convective flow (Rayleigh–Bénard instability. A further increase in the temperature difference leads to an instability of the primary convective flow, and the hydrodynamic crisis leads to a heat transfer crisis. The paper reconstructs the early stage of the Rayleigh–Bénard convective instability considered as a nonequilibrium phase transition with the spinodal decomposition (diffusion separation mechanism.

  9. Non-local Thermodynamic Equilibrium Abundance Analyses of the Extreme Helium Stars V652 Her and HD 144941

    International Nuclear Information System (INIS)

    Pandey, Gajendra; Lambert, David L.

    2017-01-01

    Optical high-resolution spectra of V652 Her and HD 144941, the two extreme helium stars with exceptionally low C/He ratios, have been subjected to a non-LTE abundance analysis using the tools TLUSTY and SYNSPEC. Defining atmospheric parameters were obtained from a grid of non-LTE atmospheres and a variety of spectroscopic indicators including He i and He ii line profiles, and the ionization equilibrium of ion pairs such as C ii/C iii and N ii/N iii. The various indicators provide a consistent set of atmospheric parameters: T eff = 25,000 ± 300 K, log g = 3.10 ± 0.12(cgs), and ξ = 13 ± 2 km s −1 are provided for V652 Her, and T eff = 22,000 ± 600 K, log g = 3.45 ± 0.15 (cgs), and ξ = 10 km s −1 are provided for HD 144941. In contrast to the non-LTE analyses, the LTE analyses—LTE atmospheres and an LTE line analysis—with the available indicators do not provide a consistent set of atmospheric parameters. The principal non-LTE effect on the elemental abundances is on the neon abundance. It is generally considered that these extreme helium stars with their very low C/He ratio result from the merger of two helium white dwarfs. Indeed, the derived composition of V652 Her is in excellent agreement with predictions by Zhang and Jeffery, who model the slow merger of helium white dwarfs; a slow merger results in the merged star having the composition of the accreted white dwarf. In the case of HD 144941, which appears to have evolved from metal-poor stars, a slow merger is incompatible with the observed composition but variations of the merger rate may account for the observed composition. More detailed theoretical studies of the merger of a pair of helium white dwarfs are to be encouraged.

  10. Study of the coupling of geochemical models based on thermodynamic equilibrium with models of component transfer as solutions in porous media or fractures

    International Nuclear Information System (INIS)

    Coudrain-Ribstein, A.

    1985-01-01

    This study is a contribution of analyses possibilities of modelling the transfer of components in the underground taking into account complexes geochemical phenomena. In the first part, the aim and the methodology of existing codes are presented. The transfer codes describe with a great precision the physical phenomena of transport but they are based on a very simple conceptualisation of the geochemical phenomena of retention by the rock. The geochemical models are interested by a stable unity of volume. They allow to compute the equilibrium distribution of the components between the chemical species of the solution, and the solid and gaseous phases. They use important thermodynamic data bases corresponding to each possible reaction. To sum up the situation about the geochemical codes in Europe and United States, a list of about thirty codes describe their method and potentialities. The mathematical analysis of the different methods used in both types of codes is presented. Then, the principles of a modelisation associating the potentialities of the transport codes and the geochemical codes are discussed. It is not possible to think of a simple coupling. A general code must be established on the bases of the existing codes but also on new concepts and under new constraints. In such studies one must always deal with the problem of the reactions kinetics. When the velocity of the reactions is big enough versus the velocity of transport processes, the assumption of local geochemical equilibrium can be retained. A general code would be very cumbersome, expensive and difficult to use. The results would be difficult to analyse and exploit. On the other hand, for each case study, a detailed analysis can point out many computing simplifications without simplifying the concepts [fr

  11. Removal of malathion from aqueous solution using De-Acidite FF-IP resin and determination by UPLC-MS/MS: equilibrium, kinetics and thermodynamics studies.

    Science.gov (United States)

    Naushad, Mu; Alothman, Z A; Khan, M R

    2013-10-15

    In the present study, De-Acidite FF-IP resin was used to remove a highly toxic and persistent organophosphorus pesticide (malathion) from the aqueous solution. Batch experiments were performed as a function of various experimental parameters such as effect of pH (2-10), contact time (10-120 min), resin dose (0.05-0.5 g), initial malathion concentration (0.5-2.5 µg mL(-1)) and temperature (25-65°C). The concentration of malathion was determined using a sensitive, selective and rapid ultra-performance liquid chromatography-tandem mass spectrometry (UPLC-MS/MS) method. The uptake rate of malathion on De-Acidite FF-IP resin was rapid and equilibrium established within 40 min. Kinetics studies showed better applicability for pseudo-second-order model. The equilibrium data was fitted to Langmuir and Freundlich isotherm models and the isotherm constants were calculated for malathion. The values of thermodynamic parameters (ΔG(0), ΔH(0) and ΔS(0)) were computed from the Van't Hoff plot of lnKC vs. 1/T which showed that the adsorption of malathion was feasible, endothermic and spontaneous. The regeneration studies were carried out which demonstrated a decrease in the recovery of malathion from 95% to 68% after five consecutive cycles. Breakthrough and exhaustive capacities of malathion were found to be 1.25 mg g(-1) and 3.5 mg g(-1), respectively. © 2013 Elsevier B.V. All rights reserved.

  12. Kinetic equilibrium reconstruction for the NBI- and ICRH-heated H-mode plasma on EAST tokamak

    Science.gov (United States)

    Zhen, ZHENG; Nong, XIANG; Jiale, CHEN; Siye, DING; Hongfei, DU; Guoqiang, LI; Yifeng, WANG; Haiqing, LIU; Yingying, LI; Bo, LYU; Qing, ZANG

    2018-04-01

    The equilibrium reconstruction is important to study the tokamak plasma physical processes. To analyze the contribution of fast ions to the equilibrium, the kinetic equilibria at two time-slices in a typical H-mode discharge with different auxiliary heatings are reconstructed by using magnetic diagnostics, kinetic diagnostics and TRANSP code. It is found that the fast-ion pressure might be up to one-third of the plasma pressure and the contribution is mainly in the core plasma due to the neutral beam injection power is primarily deposited in the core region. The fast-ion current contributes mainly in the core region while contributes little to the pedestal current. A steep pressure gradient in the pedestal is observed which gives rise to a strong edge current. It is proved that the fast ion effects cannot be ignored and should be considered in the future study of EAST.

  13. Phase equilibrium measurements and thermodynamic modelling for the system (CO2 + ethyl palmitate + ethanol) at high pressures

    International Nuclear Information System (INIS)

    Gaschi, Priscilla S.; Mafra, Marcos R.; Ndiaye, Papa M.; Corazza, Marcos L.

    2013-01-01

    Graphical abstract: Ethyl palmitate and biodiesel comparison in a pressure–composition diagram for the systems (CO 2 + ethyl palmitate + biodiesel), at different temperatures. Highlights: ► We measured VLE, LLE, and VLLE for the system (CO 2 + ethyl palmitate + ethanol). ► The saturation pressures were obtained using a variable-volume view cell. ► Phase envelope of (CO 2 + ethyl palmitate) is different that (CO 2 + soybean oil biodiesel). ► The experimental data were modeled using PR-vdW2 and PR–WS equations of state. - Abstract: This work reports phase equilibrium measurements for the binary {CO 2 (1) + ethyl palmitate(2)} and ternary {CO 2 (1) + ethyl palmitate(2) + ethanol(3)} systems at high pressures. There is currently great interest in biodiesel production processes involving supercritical and/or pressurized solvents, such as non-catalytic supercritical biodiesel production and enzyme-catalysed biodiesel production. Also, supercritical CO 2 can offer an interesting alternative for glycerol separation in the biodiesel purification step in a water-free process. In this context, the main goal of this work was to investigate the phase behaviour of binary and ternary systems involving CO 2 , a pure constituent of biodiesel ethyl palmitate and ethanol. Experiments were carried out in a high-pressure variable-volume view cell with operating temperatures ranging from (303.15 to 353.15) K and pressures up to 21 MPa. The CO 2 mole fraction ranged from 0.5033 to 0.9913 for the binary {CO 2 (1) + ethyl palmitate(2)} system and from 0.4436 to 0.9712 for ternary system {CO 2 (1) + ethyl palmitate(2) + ethanol(3)} system with ethyl ester to ethanol molar ratios of (1:6), (1:3), and (1:1). For the systems investigated, vapour–liquid (VL), liquid–liquid (LL) and vapour–liquid–liquid (VLL) phase transitions were observed. The experimental data sets were successfully modeled using the Peng–Robinson equation of state with the classical van der Waals

  14. Non-local Thermodynamic Equilibrium Abundance Analyses of the Extreme Helium Stars V652 Her and HD 144941

    Energy Technology Data Exchange (ETDEWEB)

    Pandey, Gajendra [Indian Institute of Astrophysics, Bangalore, 560034 (India); Lambert, David L., E-mail: pandey@iiap.res.in, E-mail: dll@astro.as.utexas.edu [The W.J. McDonald Observatory and Department of Astronomy, University of Texas at Austin, Austin, TX 78712-1083 (United States)

    2017-10-01

    Optical high-resolution spectra of V652 Her and HD 144941, the two extreme helium stars with exceptionally low C/He ratios, have been subjected to a non-LTE abundance analysis using the tools TLUSTY and SYNSPEC. Defining atmospheric parameters were obtained from a grid of non-LTE atmospheres and a variety of spectroscopic indicators including He i and He ii line profiles, and the ionization equilibrium of ion pairs such as C ii/C iii and N ii/N iii. The various indicators provide a consistent set of atmospheric parameters: T {sub eff} = 25,000 ± 300 K, log g = 3.10 ± 0.12(cgs), and ξ = 13 ± 2 km s{sup −1} are provided for V652 Her, and T {sub eff} = 22,000 ± 600 K, log g = 3.45 ± 0.15 (cgs), and ξ = 10 km s{sup −1} are provided for HD 144941. In contrast to the non-LTE analyses, the LTE analyses—LTE atmospheres and an LTE line analysis—with the available indicators do not provide a consistent set of atmospheric parameters. The principal non-LTE effect on the elemental abundances is on the neon abundance. It is generally considered that these extreme helium stars with their very low C/He ratio result from the merger of two helium white dwarfs. Indeed, the derived composition of V652 Her is in excellent agreement with predictions by Zhang and Jeffery, who model the slow merger of helium white dwarfs; a slow merger results in the merged star having the composition of the accreted white dwarf. In the case of HD 144941, which appears to have evolved from metal-poor stars, a slow merger is incompatible with the observed composition but variations of the merger rate may account for the observed composition. More detailed theoretical studies of the merger of a pair of helium white dwarfs are to be encouraged.

  15. Thermodynamics Far from the Thermodynamic Limit.

    Science.gov (United States)

    de Miguel, Rodrigo; Rubí, J Miguel

    2017-11-16

    Understanding how small systems exchange energy with a heat bath is important to describe how their unique properties can be affected by the environment. In this contribution, we apply Landsberg's theory of temperature-dependent energy levels to describe the progressive thermalization of small systems as their spectrum is perturbed by a heat bath. We propose a mechanism whereby the small system undergoes a discrete series of excitations and isentropic spectrum adjustments leading to a final state of thermal equilibrium. This produces standard thermodynamic results without invoking system size. The thermal relaxation of a single harmonic oscillator is analyzed as a model example of a system with a quantized spectrum than can be embedded in a thermal environment. A description of how the thermal environment affects the spectrum of a small system can be the first step in using environmental factors, such as temperature, as parameters in the design and operation of nanosystem properties.

  16. Limits of predictions in thermodynamic systems: a review

    Science.gov (United States)

    Marsland, Robert, III; England, Jeremy

    2018-01-01

    The past twenty years have seen a resurgence of interest in nonequilibrium thermodynamics, thanks to advances in the theory of stochastic processes and in their thermodynamic interpretation. Fluctuation theorems provide fundamental constraints on the dynamics of systems arbitrarily far from thermal equilibrium. Thermodynamic uncertainty relations bound the dissipative cost of precision in a wide variety of processes. Concepts of excess work and excess heat provide the basis for a complete thermodynamics of nonequilibrium steady states, including generalized Clausius relations and thermodynamic potentials. But these general results carry their own limitations: fluctuation theorems involve exponential averages that can depend sensitively on unobservably rare trajectories; steady-state thermodynamics makes use of a dual dynamics that lacks any direct physical interpretation. This review aims to present these central results of contemporary nonequilibrium thermodynamics in such a way that the power of each claim for making physical predictions can be clearly assessed, using examples from current topics in soft matter and biophysics.

  17. Nonequilibrium thermodynamics of restricted Boltzmann machines

    Science.gov (United States)

    Salazar, Domingos S. P.

    2017-08-01

    In this work, we analyze the nonequilibrium thermodynamics of a class of neural networks known as restricted Boltzmann machines (RBMs) in the context of unsupervised learning. We show how the network is described as a discrete Markov process and how the detailed balance condition and the Maxwell-Boltzmann equilibrium distribution are sufficient conditions for a complete thermodynamics description, including nonequilibrium fluctuation theorems. Numerical simulations in a fully trained RBM are performed and the heat exchange fluctuation theorem is verified with excellent agreement to the theory. We observe how the contrastive divergence functional, mostly used in unsupervised learning of RBMs, is closely related to nonequilibrium thermodynamic quantities. We also use the framework to interpret the estimation of the partition function of RBMs with the annealed importance sampling method from a thermodynamics standpoint. Finally, we argue that unsupervised learning of RBMs is equivalent to a work protocol in a system driven by the laws of thermodynamics in the absence of labeled data.

  18. Nonequilibrium thermodynamics of restricted Boltzmann machines.

    Science.gov (United States)

    Salazar, Domingos S P

    2017-08-01

    In this work, we analyze the nonequilibrium thermodynamics of a class of neural networks known as restricted Boltzmann machines (RBMs) in the context of unsupervised learning. We show how the network is described as a discrete Markov process and how the detailed balance condition and the Maxwell-Boltzmann equilibrium distribution are sufficient conditions for a complete thermodynamics description, including nonequilibrium fluctuation theorems. Numerical simulations in a fully trained RBM are performed and the heat exchange fluctuation theorem is verified with excellent agreement to the theory. We observe how the contrastive divergence functional, mostly used in unsupervised learning of RBMs, is closely related to nonequilibrium thermodynamic quantities. We also use the framework to interpret the estimation of the partition function of RBMs with the annealed importance sampling method from a thermodynamics standpoint. Finally, we argue that unsupervised learning of RBMs is equivalent to a work protocol in a system driven by the laws of thermodynamics in the absence of labeled data.

  19. Thermodynamic performance analysis of a combined power cycle using low grade heat source and LNG cold energy

    International Nuclear Information System (INIS)

    Kim, Kyoung Hoon; Kim, Kyung Chun

    2014-01-01

    Thermodynamic analysis of a combined cycle using a low grade heat source and LNG cold energy was carried out. The combined cycle consisted of an ammonia–water Rankine cycle with and without regeneration and a LNG Rankine cycle. A parametric study was conducted to examine the effects of the key parameters, such as ammonia mass fraction, turbine inlet pressure, condensation temperature. The effects of the ammonia mass fraction on the temperature distributions of the hot and cold streams in heat exchangers were also investigated. The characteristic diagram of the exergy efficiency and heat transfer capability was proposed to consider the system performance and expenditure of the heat exchangers simultaneously. The simulation showed that the system performance is influenced significantly by the parameters with the ammonia mass fraction having largest effect. The net work output of the ammonia–water cycle may have a peak value or increase monotonically with increasing ammonia mass fraction, which depends on turbine inlet pressure or condensation temperature. The exergy efficiency may decrease or increase or have a peak value with turbine inlet pressure depending on the ammonia mass fraction. - Highlights: • Thermodynamic analysis was performed for a combined cycle utilizing LNG cold energy. • Ammonia–water Rankine cycle and LNG Rankine cycle was combined. • A parametric study was conducted to examine the effects of the key parameters. • Characteristics of the exergy efficiency and heat transfer capability were proposed. • The system performance was influenced significantly by the ammonia mass fraction

  20. Removal of Pb(II) ions from aqueous solution by a waste mud from copper mine industry: equilibrium, kinetic and thermodynamic study.

    Science.gov (United States)

    Ozdes, Duygu; Gundogdu, Ali; Kemer, Baris; Duran, Celal; Senturk, Hasan Basri; Soylak, Mustafa

    2009-07-30

    The objective of this study was to assess the adsorption potential of a waste mud (WM) for the removal of lead (Pb(II)) ions from aqueous solutions. The WM was activated with NaOH in order to increase its adsorption capacity. Adsorption studies were conducted in a batch system as a function of solution pH, contact time, initial Pb(II) concentration, activated-waste mud (a-WM) concentration, temperature, etc. Optimum pH was specified as 4.0. The adsorption kinetic studies indicated that the overall adsorption process was best described by pseudo-second-order kinetics. The equilibrium adsorption capacity of a-WM was obtained by using Langmuir and Freundlich isotherm models and both models fitted well. Adsorption capacity for Pb(II) was found to be 24.4 mg g(-1) for 10 g L(-1) of a-WM concentration. Thermodynamic parameters including the Gibbs free energy (Delta G degrees), enthalpy (Delta H degrees), and entropy (DeltaS degrees) indicated that the adsorption of Pb(II) ions on the a-WM was feasible, spontaneous and endothermic, at temperature range of 0-40 degrees C. Desorption studies were carried out successfully with diluted HCl solutions. The results indicate that a-WM can be used as an effective and no-cost adsorbent for the treatment of industrial wastewaters contaminated with Pb(II) ions.