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.

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

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.

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.

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

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

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

NARCIS (Netherlands)

Hütter, M.; Brader, J.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

Retrieval of Kinetic Temperature and Carbon Dioxide Abundance from Non-Local Thermodynamic Equilibrium Limb Emission Measurements made by the SABER Experiment on the TIMED Satellite

Science.gov (United States)

Mertens, Christopher J.; Mlynczak, Martin G.; Lopez-Puertas, Manuel; Wintersteiner, Peter P.; Picard, Richard H.; Winick, Jeremy R.; Gordley, Larry L.; Russell, James M., III

2002-01-01

The Sounding of the Atmosphere using Broadband Emission Radiometry (SABER) experiment was launched onboard the TIMED satellite in December, 2001. SABER is designed to provide measurements of the key radiative and chemical sources and sinks of energy in the mesosphere and lower thermosphere (MLT). SABER measures Earth limb emission in 10 broadband radiometer channels ranging from 1.27 micrometers to 17 micrometers. Measurements are made both day and night over the latitude range from 54 deg. S to 87 deg. N with alternating hemisphere coverage every 60 days. In this paper we concentrate on retrieved profiles of kinetic temperature (T(sub k)) and CO2 volume mixing ratio (vmr), inferred from SABER-observed 15 micrometer and 4.3 micrometer limb emissions, respectively. SABER-measured limb radiances are in non-local thermodynamic equilibrium (non-LTE) in the MLT region. The complexity of non-LTE radiation transfer combined with the large volume of data measured by SABER requires new retrieval approaches and radiative transfer techniques to accurately and efficiently retrieve the data products. In this paper we present the salient features of the coupled non-LTE T(sub k)/CO2 retrieval algorithm, along with preliminary results.

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.

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.

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.

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)

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...

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.

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.

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.

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.

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

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…

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.

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.

Analysis of the influence of the plasma thermodynamic regime in the spectrally resolved and mean radiative opacity calculations of carbon plasmas in a wide range of density and temperature

International Nuclear Information System (INIS)

Gil, J.M.; Rodriguez, R.; Martel, P.; Florido, R.; Rubiano, J.G.; Mendoza, M.A.; Minguez, E.

2013-01-01

In this work the spectrally resolved, multigroup and mean radiative opacities of carbon plasmas are calculated for a wide range of plasma conditions which cover situations where corona, local thermodynamic and non-local thermodynamic equilibrium regimes are found. An analysis of the influence of the thermodynamic regime on these magnitudes is also carried out by means of comparisons of the results obtained from collisional-radiative, corona or Saha–Boltzmann equations. All the calculations presented in this work were performed using ABAKO/RAPCAL code. -- Highlights: ► Spectrally resolved, multigroup and mean radiative opacities of carbon plasmas are calculated. ► Corona, local thermodynamic and non-local thermodynamic equilibrium regimes are analyzed. ► Simulations performed using the computational package ABAKO/RAPCAL. ► A criterion for the establishment of the thermodynamic regime is proposed.

A non-local thermodynamical equilibrium line formation for neutral and singly ionized titanium in model atmospheres of reference A-K stars

Science.gov (United States)

Sitnova, T. M.; Mashonkina, L. I.; Ryabchikova, T. A.

2016-09-01

We construct a model atom for Ti I-II using more than 3600 measured and predicted energy levels of Ti I and 1800 energy levels of Ti II, and quantum mechanical photoionization cross-sections. Non-local thermodynamical equilibrium (NLTE) line formation for Ti I and Ti II is treated through a wide range of spectral types from A to K, including metal-poor stars with [Fe/H] down to -2.6 dex. NLTE leads to weakened Ti I lines and positive abundance corrections. The magnitude of NLTE corrections is smaller compared to the literature data for FGK atmospheres. NLTE leads to strengthened Ti II lines and negative NLTE abundance corrections. For the first time, we have performed NLTE calculations for Ti I-II in the 6500 ≤ Teff ≤ 13 000 K range. For four A-type stars, we derived in LTE an abundance discrepancy of up to 0.22 dex between Ti I and Ti II, which vanishes in NLTE. For four other A-B stars, with only Ti II lines observed, NLTE leads to a decrease of line-to-line scatter. An efficiency of inelastic Ti I + H I collisions was estimated from an analysis of Ti I and Ti II lines in 17 cool stars with -2.6 ≤ [Fe/H] ≤ 0.0. Consistent NLTE abundances from Ti I and Ti II were obtained by applying classical Drawinian rates for the stars with log g ≥ 4.1, and neglecting inelastic collisions with H I for the very metal-poor (VMP) giant HD 122563. For the VMP turn-off stars ([Fe/H] ≤ -2 and log g ≤ 4.1), we obtained the positive abundance difference Ti I-II already in LTE, which increases in NLTE. Accurate collisional data for Ti I and Ti II are necessary to help solve this problem.

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...

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 ...

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)

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

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

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

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).

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

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.

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)

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....

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

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)

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.

Virial Theorem in Nonlocal Newtonian Gravity

Directory of Open Access Journals (Sweden)

Bahram Mashhoon

2016-05-01

Full Text Available Nonlocal gravity is the recent classical nonlocal generalization of Einstein’s theory of gravitation in which the past history of the gravitational field is taken into account. In this theory, nonlocality appears to simulate dark matter. The virial theorem for the Newtonian regime of nonlocal gravity theory is derived and its consequences for “isolated” astronomical systems in virial equilibrium at the present epoch are investigated. In particular, for a sufficiently isolated nearby galaxy in virial equilibrium, the galaxy’s baryonic diameter D 0 —namely, the diameter of the smallest sphere that completely surrounds the baryonic system at the present time—is predicted to be larger than the effective dark matter fraction f D M times a universal length that is the basic nonlocality length scale λ 0 ≈ 3 ± 2 kpc.

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.

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.

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, ...

Nonequilibrium thermodynamic models and applications to hydrogen plasma

International Nuclear Information System (INIS)

Cho, K.Y.

1988-01-01

A generalized multithermal equilibrium (GMTE) thermodynamic model is developed and presented with applications to hydrogen. A new chemical equilibrium equation for GMTE is obtained without the ensemble temperature concept, used by a previous MTE model. The effects of the GMTE model on the derivation and calculation of the thermodynamic, transport, and radiative properties are presented and significant differences from local thermal equilibrium (LTE) and two temperature model are discussed. When the electron translational temperature (T e ) is higher than the translational temperature of the heavy particles, the effects of hydrogen molecular species to the properties are significant at high T e compared with LTE results. The density variations of minor species are orders of magnitude with kinetic nonequilibrium at a constant electron temperature. A collisional-radiative model is also developed with the GMTE chemical equilibrium equation to study the effects of radiative transfer and the ambipolar diffusion on the population distribution of the excited atoms. The nonlocal radiative transfer effect is parameterized by an absorption factor, which is defined as a ratio of the absorbed intensity to the spontaneous emission coefficient

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)

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.

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.

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)

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.

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.

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

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.

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

Vlasov equilibrium and nonlocal stability properties of an inhomogeneous plasma column

International Nuclear Information System (INIS)

Davidson, R.C.

1976-01-01

A fully kinetic, nonlocal, matrix dispersion equation is derived for electrostatic perturbations about a spatially nonuniform cylindrical plasma equilibrium. The analysis is carried out for the class of radially confined rigid-rotor equilibria described by f 0 /subj/(x,v) = (n/subj/m/subj//2πT/subj/) F (H/sub perpendicular//T/subj/- ω/subj/P/sub theta//T/subj/,v/subz/), where P/sub theta/ is the canonical angular momentum, v/subz/ is the axial velocity, H/sub perpendicular/ is the perpendicular energy, and n/subj/, T/subj/, and ω/subj/ are constants. Assuming equilibrium charge neutrality and negligible spatial variation in the axial magnetic field B 0 e/subz/, it is shown that the particle trajectories (in the equilibrium electric and magnetic fields) and the orbit integrals required in the stability analysis can be evaluated in closed form. Expanding the perturbed electrostatic potential in terms of the vacuum eigenfunctions ]J/subl/(lambda/subn/r) closing-brace for the conducting cylinder leads to a matrix dispersion equation of the form det[delta/subn//sub prime//subn+ Σ/subj/chi/subj//subn//sub prime//subn(ω)]=0, where the susceptibility chi/subj//subn//sub prime//subn(ω) is expressed as a phase-space integral over f 0 /subj/(x,v) and known functions of ω, r lambda/subn/, etc. The limiting case of strongly magnetized electrons and unmagnetized ions is considered together with a preliminary application to the lower-hyprid-drift instability

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

Calculation of opacities and emissivities for carbon plasmas under NLTE and LTE conditions

International Nuclear Information System (INIS)

Gil, J.M.; Rodriguez, R.; Florido, R.; Rubiano, J.G.; Martel, P.; Sauvan, P.; Minguez, E.

2006-01-01

We calculate different optical properties for carbon plasma in a wide range of temperatures and densities by using ATOM3R-OP code which has been recently developed. In this code we have implemented the rate equations, the Saha equation (for local thermodynamic equilibrium) and the coronal equilibrium model. We have calculated average ionizations, level populations, opacities and emissivities and we focus our study on the identification with our code of coronal equilibrium, non-local thermodynamic equilibrium and local thermodynamic equilibrium regions for this kind of plasma. Moreover, we analyse the differences in the optical properties when they are calculated in non-local thermodynamic equilibrium and local thermodynamic equilibrium. (authors)

Calculation of opacities and emissivities for carbon plasmas under NLTE and LTE conditions

Energy Technology Data Exchange (ETDEWEB)

Gil, J.M.; Rodriguez, R.; Florido, R.; Rubiano, J.G.; Martel, P. [Las Palmas de Gran Canaria Univ., Dept. de Fisica (Spain); Sauvan, P. [Universidad Nacional de Educacion a Distancia, Dept. de Ingenieria Energetica, Madrid (Spain); Minguez, E. [Madrid Univ. Politecnica, Instituto de Fusion Nuclear-DENIM (Spain)

2006-06-15

We calculate different optical properties for carbon plasma in a wide range of temperatures and densities by using ATOM3R-OP code which has been recently developed. In this code we have implemented the rate equations, the Saha equation (for local thermodynamic equilibrium) and the coronal equilibrium model. We have calculated average ionizations, level populations, opacities and emissivities and we focus our study on the identification with our code of coronal equilibrium, non-local thermodynamic equilibrium and local thermodynamic equilibrium regions for this kind of plasma. Moreover, we analyse the differences in the optical properties when they are calculated in non-local thermodynamic equilibrium and local thermodynamic equilibrium. (authors)

Nonlocal collisionless and collisional electron transport in low temperature plasmas

Science.gov (United States)

Kaganovich, Igor

2009-10-01

The purpose of the talk is to describe recent advances in nonlocal electron kinetics in low-pressure plasmas. A distinctive property of partially ionized plasmas is that such plasmas are always in a non-equilibrium state: the electrons are not in thermal equilibrium with the neutral species and ions, and the electrons are also not in thermodynamic equilibrium within their own ensemble, which results in a significant departure of the electron velocity distribution function from a Maxwellian. These non-equilibrium conditions provide considerable freedom to choose optimal plasma parameters for applications, which make gas discharge plasmas remarkable tools for a variety of plasma applications, including plasma processing, discharge lighting, plasma propulsion, particle beam sources, and nanotechnology. Typical phenomena in such discharges include nonlocal electron kinetics, nonlocal electrodynamics with collisionless electron heating, and nonlinear processes in the sheaths and in the bounded plasmas. Significant progress in understanding the interaction of electromagnetic fields with real bounded plasma created by this field and the resulting changes in the structure of the applied electromagnetic field has been one of the major achievements of the last decade in this area of research [1-3]. We show on specific examples that this progress was made possible by synergy between full scale particle-in-cell simulations, analytical models, and experiments. In collaboration with Y. Raitses, A.V. Khrabrov, Princeton Plasma Physics Laboratory, Princeton, NJ, USA; V.I. Demidov, UES, Inc., 4401 Dayton-Xenia Rd., Beavercreek, OH 45322, USA and AFRL, Wright-Patterson AFB, OH 45433, USA; and D. Sydorenko, University of Alberta, Edmonton, Canada. [4pt] [1] D. Sydorenko, A. Smolyakov, I. Kaganovich, and Y. Raitses, IEEE Trans. Plasma Science 34, 895 (2006); Phys. Plasmas 13, 014501 (2006); 14 013508 (2007); 15, 053506 (2008). [0pt] [2] I. D. Kaganovich, Y. Raitses, D. Sydorenko, and

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.

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

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.

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.

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)

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.

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.

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.

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

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

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.

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.

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

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

Effect of non-local equilibrium on minimal thermal resistance porous layered systems

International Nuclear Information System (INIS)

Leblond, Genevieve; Gosselin, Louis

2008-01-01

In this paper, the cooling of a heat-generating surface by a stacking of porous media (e.g., metallic foam) through which fluid flows parallel to the surface is considered. A two-temperature model is proposed to account for non-local thermal equilibrium (non-LTE). A scale analysis is performed to determine temperatures profiles in the boundary layer regime. The hot spot temperature is minimized with respect to the three design variables of each layer: porosity, pore diameter, and material. Global cost and mass are constrained. The optimization is performed with a hybrid genetic algorithm (GA) including local search to enhance convergence and repeatability. Results demonstrate that the optimized stacks do not operate in LTE. Therefore, we show that assuming LTE might result in underestimation of the hot spot temperature, and into different final designs as well

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

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...

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)

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...

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.

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)

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.

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)

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

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…

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

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.

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.

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.

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.

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.

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

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.

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.

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.

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.

Nonlocal thermoelectric effects and nonlocal Onsager relations in a three-terminal proximity-coupled superconductor-ferromagnet device

Energy Technology Data Exchange (ETDEWEB)

Machon, Peter; Belzig, Wolfgang [Department of Physics, University of Konstanz, D-78457 Konstanz (Germany); Eschrig, Matthias [SEPnet and Hubbard Theory Consortium, Department of Physics, Royal Holloway, University of London, Egham, Surrey TW20 0EX (United Kingdom)

2013-07-01

We study thermal and charge transport in a three-terminal setup consisting of a superconducting and two ferromagnetic contacts. We predict that the simultaneous presence of spin-filtering and of spin-dependent scattering phase shifts at each of the two interfaces will lead to very large nonlocal thermoelectric effects both in clean and in disordered systems. The symmetries of thermal and electric transport coefficients are related to fundamental thermodynamic principles by the Onsager reciprocity. Our results show that a nonlocal version of the Onsager relations for thermoelectric currents holds in a three terminal quantum coherent ferromagnet-superconductor heterostructure including spin-dependent crossed Andreev reflection and coherent electron transfer processes.

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.

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

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.

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.

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

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)

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

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

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

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.

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.

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

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.)

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®

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)

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.

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.

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.

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.

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

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....

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...

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.

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.

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

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.

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.

Nonlocal thermoelectric symmetry relations in ferromagnet-superconductor proximity structures

Energy Technology Data Exchange (ETDEWEB)

Machon, Peter; Belzig, Wolfgang [Department of Physics, University of Konstanz, D-78457 Konstanz (Germany); Eschrig, Matthias [Department of Physics, University of Konstanz, D-78457 Konstanz (Germany); Department of Physics, Royal Holloway, University of London, Egham Hill, EGHAM, TW20 0EX (United Kingdom)

2012-07-01

The symmetries of thermal and electric transport coefficients in quantum coherent structures are related to fundamental thermodynamic principles by the Onsager reciprocity. We generalize Onsager's symmetry relation to nonlocal thermoelectric currents in a three terminal ferromagnet-superconductor heterostructure including spin-dependent crossed Andreev reflection and direct electron transfer processes. We proof this general symmetry by applying spin-dependent boundary conditions for quasi-classical Green's functions in both the clean and the dirty limit. We predict an anomalously large local thermopower and a nonlocal Seebeck effect, which can be explained by the spin-dependent spectral properties.

Braun-Le Chatelier principle in dissipative thermodynamics

OpenAIRE

Pavelka, Michal; Grmela, Miroslav

2016-01-01

Braun-Le Chatelier principle is a fundamental result of equilibrium thermodynamics, showing how stable equilibrium states shift when external conditions are varied. The principle follows from convexity of thermodynamic potential. Analogously, from convexity of dissipation potential it follows how steady non-equilibrium states shift when thermodynamic forces are varied, which is the extension of the principle to dissipative thermodynamics.

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)

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.

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.

Non-local Thermodynamic Equilibrium Stellar Spectroscopy with 1D and Models. I. Methods and Application to Magnesium Abundances in Standard Stars

Science.gov (United States)

Bergemann, Maria; Collet, Remo; Amarsi, Anish M.; Kovalev, Mikhail; Ruchti, Greg; Magic, Zazralt

2017-09-01

We determine Mg abundances in six Gaia benchmark stars using theoretical one-dimensional (1D) hydrostatic model atmospheres, as well as temporally and spatially averaged three-dimensional () model atmospheres. The stars cover a range of Teff from 4700 to 6500 K, log g from 1.6 to 4.4 dex, and [Fe/H] from -3.0 dex to solar. Spectrum synthesis calculations are performed in local thermodynamic equilibrium (LTE) and in non-LTE (NLTE) using the oscillator strengths recently published by Pehlivan Rhodin et al. We find that: (a) Mg abundances determined from the infrared spectra are as accurate as the optical diagnostics, (b) the NLTE effects on Mg I line strengths and abundances in this sample of stars are minor (although for a few Mg I lines the NLTE effects on abundance exceed 0.6 dex in and 0.1 dex in 1D, (c) the solar Mg abundance is 7.56+/- 0.05 dex (total error), in excellent agreement with the Mg abundance measured in CI chondritic meteorites, (d) the 1D NLTE and NLTE approaches can be used with confidence to analyze optical Mg I lines in spectra of dwarfs and sub-giants, but for red giants the Mg I 5711 Å line should be preferred, (e) low-excitation Mg I lines are sensitive to the atmospheric structure; for these lines, LTE calculations with models lead to significant systematic abundance errors. The methods developed in this work will be used to study Mg abundances of a large sample of stars in the next paper in the series.

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)

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

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.

Choice of the thermodynamic variables

International Nuclear Information System (INIS)

Balian, R.

1985-09-01

Some basic ideas of thermodynamics and statistical mechanics, both at equilibrium and off equilibrium, are recalled. In particular, the selection of relevant variables which underlies any macroscopic description is discussed, together with the meaning of the various thermodynamic quantities, in order to set the thermodynamic approaches used in nuclear physics in a general prospect [fr

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)

Bridging scales from molecular simulations to classical thermodynamics: density functional theory of capillary condensation in nanopores

International Nuclear Information System (INIS)

Neimark, Alexander V; Ravikovitch, Peter I; Vishnyakov, Aleksey

2003-01-01

With the example of the capillary condensation of Lennard-Jones fluid in nanopores ranging from 1 to 10 nm, we show that the non-local density functional theory (NLDFT) with properly chosen parameters of intermolecular interactions bridges the scale gap from molecular simulations to macroscopic thermodynamics. On the one hand, NLDFT correctly approximates the results of Monte Carlo simulations (shift of vapour-liquid equilibrium, spinodals, density profiles, adsorption isotherms) for pores wider than about 2 nm. On the other hand, NLDFT smoothly merges (above 7-10 nm) with the Derjaguin-Broekhoff-de Boer equations which represent augmented Laplace-Kelvin equations of capillary condensation and desorption

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

Non-local viscosity of polymer melts approaching their glassy state

DEFF Research Database (Denmark)

Puscasu, Ruslan; Todd, Billy; Daivis, Peter

2010-01-01

The nonlocal viscosity kernels of polymer melts have been determined by means of equilibrium molecular dynamics upon cooling toward the glass transition. Previous results for the temperature dependence of the self-diffusion coefficient and the value of the glass transition temperature are confirmed...

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.

Nonlocal gravity

CERN Document Server

Mashhoon, Bahram

2017-01-01

Relativity theory is based on a postulate of locality, which means that the past history of the observer is not directly taken into account. This book argues that the past history should be taken into account. In this way, nonlocality---in the sense of history dependence---is introduced into relativity theory. The deep connection between inertia and gravitation suggests that gravity could be nonlocal, and in nonlocal gravity the fading gravitational memory of past events must then be taken into account. Along this line of thought, a classical nonlocal generalization of Einstein's theory of gravitation has recently been developed. A significant consequence of this theory is that the nonlocal aspect of gravity appears to simulate dark matter. According to nonlocal gravity theory, what astronomers attribute to dark matter should instead be due to the nonlocality of gravitation. Nonlocality dominates on the scale of galaxies and beyond. Memory fades with time; therefore, the nonlocal aspect of gravity becomes wea...

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.

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.

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

Quantum thermodynamics. Emergence of thermodynamic behavior within composite quantum systems. 2. ed.

International Nuclear Information System (INIS)

Gemmer, Jochen; Michel, M.; Mahler, Guenter

2009-01-01

This introductory text treats thermodynamics as an incomplete description of quantum systems with many degrees of freedom. Its main goal is to show that the approach to equilibrium -with equilibrium characterized by maximum ignorance about the open system of interest- neither requires that many particles nor is the precise way of partitioning, relevant for the salient features of equilibrium and equilibration. Furthermore, the text depicts that it is indeed quantum effects that are at work in bringing about thermodynamic behavior of modest-sized open systems, thus making Von Neumann's concept of entropy appear much more widely useful than sometimes feared, far beyond truly macroscopic systems in equilibrium. This significantly revised and expanded second edition pays more attention to the growing number of applications, especially non-equilibrium phenomena and thermodynamic processes of the nano-domain. In addition, to improve readability and reduce unneeded technical details, a large portion of this book has been thoroughly rewritten. (orig.)

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.)

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.

Statistical equilibrium equations for trace elements in stellar atmospheres

OpenAIRE

Kubat, Jiri

2010-01-01

The conditions of thermodynamic equilibrium, local thermodynamic equilibrium, and statistical equilibrium are discussed in detail. The equations of statistical equilibrium and the supplementary equations are shown together with the expressions for radiative and collisional rates with the emphasize on the solution for trace elements.

Modeling the thermodynamics of QCD

Energy Technology Data Exchange (ETDEWEB)

Hell, Thomas

2010-07-26

Strongly interacting (QCD) matter is expected to exhibit a multifaceted phase structure: a hadron gas at low temperatures, a quark-gluon plasma at very high temperatures, nuclear matter in the low-temperature and high-density region, color superconductors at asymptotically high densities. Most of the conjectured phases cannot yet be scrutinized by experiments. Much of the present picture - particularly concerning the intermediate temperature and density area of the phase diagram of QCD matter - is based on model calculations. Further insights come from Lattice-QCD computations. The present thesis elaborates a nonlocal covariant extension of the Nambu and Jona-Lasinio (NJL) model with built-in constraints from the running coupling of QCD at high-momentum and instanton physics at low-momentum scales. We present this model for two and three quark flavors (in the latter case paying particular attention to the axial anomaly). At finite temperatures and densities, gluon dynamics is incorporated through a gluonic background field, expressed in terms of the Polyakov loop (P). The thermodynamics of this nonlocal PNJL model accounts for both chiral and deconfinement transitions. We obtain results in mean-field approximation and beyond, including additional pionic and kaonic contributions to the chiral condensate, the pressure and other thermodynamic quantities. Finally, the nonlocal PNJL model is applied to the finite-density region of the QCD phase diagram; for three quark flavors we investigate, in particular, the dependence of the critical point appearing in the models on the axial anomaly. The thesis closes with a derivation of the nonlocal PNJL model from first principles of QCD. (orig.)

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.

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

Magnetic field and contact resistance dependence of non-local charge imbalance

International Nuclear Information System (INIS)

Kleine, A; Baumgartner, A; Trbovic, J; Schoenenberger, C; Golubev, D S; Zaikin, A D

2010-01-01

Crossed Andreev reflection (CAR) in metallic nanostructures, a possible basis for solid-state electron entangler devices, is usually investigated by detecting non-local voltages in multi-terminal superconductor/normal metal devices. This task is difficult because other subgap processes may mask the effects of CAR. One of these processes is the generation of charge imbalance (CI) and the diffusion of non-equilibrium quasi-particles in the superconductor. Here we demonstrate a characteristic dependence of non-local CI on a magnetic field applied parallel to the superconducting wire, which can be understood by a generalization of the standard description of CI to non-local experiments. These results can be used to distinguish CAR and CI and to extract CI relaxation times in superconducting nanostructures. In addition, we investigate the dependence of non-local CI on the resistance of the injector and detector contacts and demonstrate a quantitative agreement with a recent theory using only material and junction characteristics extracted from separate direct measurements.

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.

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)

Errors in Sounding of the Atmosphere Using Broadband Emission Radiometry (SABER) Kinetic Temperature Caused by Non-Local Thermodynamic Equilibrium Model Parameters

Science.gov (United States)

Garcia-Comas, Maya; Lopez-Puertas, M.; Funke, B.; Bermejo-Pantaleon, D.; Marshall, Benjamin T.; Mertens, Christopher J.; Remsberg, Ellis E.; Mlynczak, Martin G.; Gordley, L. L.; Russell, James M.

2008-01-01

The vast set of near global and continuous atmospheric measurements made by the SABER instrument since 2002, including daytime and nighttime kinetic temperature (T(sub k)) from 20 to 105 km, is available to the scientific community. The temperature is retrieved from SABER measurements of the atmospheric 15 micron CO2 limb emission. This emission separates from local thermodynamic equilibrium (LTE) conditions in the rarefied mesosphere and thermosphere, making it necessary to consider the CO2 vibrational state non-LTE populations in the retrieval algorithm above 70 km. Those populations depend on kinetic parameters describing the rate at which energy exchange between atmospheric molecules take place, but some of these collisional rates are not well known. We consider current uncertainties in the rates of quenching of CO2 (v2 ) by N2 , O2 and O, and the CO2 (v2 ) vibrational-vibrational exchange to estimate their impact on SABER T(sub k) for different atmospheric conditions. The T(sub k) is more sensitive to the uncertainty in the latter two and their effects depend on altitude. The T(sub k) combined systematic error due to non-LTE kinetic parameters does not exceed +/- 1.5 K below 95 km and +/- 4-5 K at 100 km for most latitudes and seasons (except for polar summer) if the Tk profile does not have pronounced vertical structure. The error is +/- 3 K at 80 km, +/- 6 K at 84 km and +/- 18 K at 100 km under the less favourable polar summer conditions. For strong temperature inversion layers, the errors reach +/- 3 K at 82 km and +/- 8 K at 90 km. This particularly affects tide amplitude estimates, with errors of up to +/- 3 K.

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.

Thermodynamic approach to biomass gasification

International Nuclear Information System (INIS)

Boissonnet, G.; Seiler, J.M.

2003-01-01

The document presents an approach of biomass transformation in presence of steam, hydrogen or oxygen. Calculation results based on thermodynamic equilibrium are discussed. The objective of gasification techniques is to increase the gas content in CO and H 2 . The maximum content in these gases is obtained when thermodynamic equilibrium is approached. Any optimisation action of a process. will, thus, tend to approach thermodynamic equilibrium conditions. On the other hand, such calculations can be used to determine the conditions which lead to an increase in the production of CO and H 2 . An objective is also to determine transformation enthalpies that are an important input for process calculations. Various existing processes are assessed, and associated thermodynamic limitations are evidenced. (author)

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....

Quantum Nonlocality and Beyond: Limits from Nonlocal Computation

Science.gov (United States)

Linden, Noah; Popescu, Sandu; Short, Anthony J.; Winter, Andreas

2007-11-01

We address the problem of “nonlocal computation,” in which separated parties must compute a function without any individual learning anything about the inputs. Surprisingly, entanglement provides no benefit over local classical strategies for such tasks, yet stronger nonlocal correlations allow perfect success. This provides intriguing insights into the limits of quantum information processing, the nature of quantum nonlocality, and the differences between quantum and stronger-than-quantum nonlocal correlations.

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....

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.

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.

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.

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

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.

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.

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.

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.

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

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.

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…

Contact Geometry of Mesoscopic Thermodynamics and Dynamics

Directory of Open Access Journals (Sweden)

Miroslav Grmela

2014-03-01

Full Text Available The time evolution during which macroscopic systems reach thermodynamic equilibrium states proceeds as a continuous sequence of contact structure preserving transformations maximizing the entropy. This viewpoint of mesoscopic thermodynamics and dynamics provides a unified setting for the classical equilibrium and nonequilibrium thermodynamics, kinetic theory, and statistical mechanics. One of the illustrations presented in the paper is a new version of extended nonequilibrium thermodynamics with fluxes as extra state variables.

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

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

Chemical equilibrium of glycerol carbonate synthesis from glycerol

International Nuclear Information System (INIS)

Li Jiabo; Wang Tao

2011-01-01

Research highlights: → Transesterification of glycerol with cyclic carbonates or alkyl carbonates is thermodynamically favourable for the preparation of glycerol carbonate from glycerol. → The reaction of glycerol and carbon dioxide is thermodynamically limited. → High temperature and low pressure is favourable to the reaction of glycerol and urea. → Increasing temperature can increase the chemical equilibrium constant for the reaction of glycerol and dimethyl carbonate. → For the reaction of glycerol and ethylene carbonate, increasing temperature can decrease the chemical equilibrium constant. - Abstract: In this paper, the chemical equilibrium for the glycerol carbonate preparation from glycerol was investigated. The chemical equilibrium constants were calculated for the reactions to produce glycerol carbonate from glycerol. The theoretical calculation was compared with the experimental results for the transesterification of glycerol with dimethyl carbonate. Transesterification of glycerol with cyclic carbonates or alkyl carbonates is thermodynamically favourable for producing glycerol carbonate from glycerol according to the equilibrium constant. Increasing temperature can increase the chemical equilibrium constant for the reaction of glycerol with dimethyl carbonate. For the reaction of glycerol with ethylene carbonate, increasing temperature can decrease the chemical equilibrium constant. The reaction of glycerol with carbon dioxide is thermodynamically limited. High temperature and low pressure are favourable to the reaction of glycerol and urea.

Conceptual Nonlocality

Directory of Open Access Journals (Sweden)

David A. Grandy

2007-08-01

Full Text Available Nonlocality is a puzzling issue in modern physics. I propose that, aside from the experimental determination of nonlocality, the concept of atomistic lightmdash;discrete, self-bounded photonsmdash;breaks down toward something like nonlocality when subjected to philosophical scrutiny. Louis de Broglie made a similar argument regarding the material atom: the concept of the classical atom, when interrogated, collapses upon itself to offer a glimpse of wave-particle duality. Light atoms or photons, I argue, similarly collapse toward the contradictory possibility of nonlocality.

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.

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

Science.gov (United States)

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

2015-01-01

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

Advanced classical thermodynamics

International Nuclear Information System (INIS)

Emanuel, G.

1987-01-01

The theoretical and mathematical foundations of thermodynamics are presented in an advanced text intended for graduate engineering students. Chapters are devoted to definitions and postulates, the fundamental equation, equilibrium, the application of Jacobian theory to thermodynamics, the Maxwell equations, stability, the theory of real gases, critical-point theory, and chemical thermodynamics. Diagrams, graphs, tables, and sample problems are provided. 38 references

Statistical Thermodynamics of Disperse Systems

DEFF Research Database (Denmark)

Shapiro, Alexander

1996-01-01

Principles of statistical physics are applied for the description of thermodynamic equilibrium in disperse systems. The cells of disperse systems are shown to possess a number of non-standard thermodynamic parameters. A random distribution of these parameters in the system is determined....... On the basis of this distribution, it is established that the disperse system has an additional degree of freedom called the macro-entropy. A large set of bounded ideal disperse systems allows exact evaluation of thermodynamic characteristics. The theory developed is applied to the description of equilibrium...

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.

Equilibrium Constant as Solution to the Open Chemical Systems

OpenAIRE

Zilbergleyt, B.

2008-01-01

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

Microcanonical ensemble extensive thermodynamics of Tsallis statistics

International Nuclear Information System (INIS)

Parvan, A.S.

2005-01-01

The microscopic foundation of the generalized equilibrium statistical mechanics based on the Tsallis entropy is given by using the Gibbs idea of statistical ensembles of the classical and quantum mechanics.The equilibrium distribution functions are derived by the thermodynamic method based upon the use of the fundamental equation of thermodynamics and the statistical definition of the functions of the state of the system. It is shown that if the entropic index ξ = 1/q - 1 in the microcanonical ensemble is an extensive variable of the state of the system, then in the thermodynamic limit z bar = 1/(q - 1)N = const the principle of additivity and the zero law of thermodynamics are satisfied. In particular, the Tsallis entropy of the system is extensive and the temperature is intensive. Thus, the Tsallis statistics completely satisfies all the postulates of the equilibrium thermodynamics. Moreover, evaluation of the thermodynamic identities in the microcanonical ensemble is provided by the Euler theorem. The principle of additivity and the Euler theorem are explicitly proved by using the illustration of the classical microcanonical ideal gas in the thermodynamic limit

Microcanonical ensemble extensive thermodynamics of Tsallis statistics

International Nuclear Information System (INIS)

Parvan, A.S.

2006-01-01

The microscopic foundation of the generalized equilibrium statistical mechanics based on the Tsallis entropy is given by using the Gibbs idea of statistical ensembles of the classical and quantum mechanics. The equilibrium distribution functions are derived by the thermodynamic method based upon the use of the fundamental equation of thermodynamics and the statistical definition of the functions of the state of the system. It is shown that if the entropic index ξ=1/(q-1) in the microcanonical ensemble is an extensive variable of the state of the system, then in the thermodynamic limit z-bar =1/(q-1)N=const the principle of additivity and the zero law of thermodynamics are satisfied. In particular, the Tsallis entropy of the system is extensive and the temperature is intensive. Thus, the Tsallis statistics completely satisfies all the postulates of the equilibrium thermodynamics. Moreover, evaluation of the thermodynamic identities in the microcanonical ensemble is provided by the Euler theorem. The principle of additivity and the Euler theorem are explicitly proved by using the illustration of the classical microcanonical ideal gas in the thermodynamic limit

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.

Thermodynamics of nanoadsorption from solution: Theoretical and experimental research

International Nuclear Information System (INIS)

Wen, Yan-Zhen; Xue, Yong-Qiang; Cui, Zi-Xiang; Wang, Yan

2015-01-01

Highlights: • The thermodynamic theory of nanoadsorption was proposed. • The thermodynamic relations of nanoadsorption were derived. • The results of the experiments are accord with the theory. - Abstract: In this study, the effect of nanoparticle size on adsorption thermodynamics was investigated. The results of theoretical and experimental studies show that particle size significantly affects the equilibrium constant and thermodynamic properties of nanoadsorption. Relationships between the equilibrium constant, thermodynamic properties and particle size were derived using the thermodynamic theory of nanoadsorption. The equilibrium constant and thermodynamic properties were obtained by investigating the adsorption of Cu 2+ onto different sizes of nano-ZnO and the adsorption of Ag + onto different sizes of nano-TiO 2 . Good agreement was achieved between results obtained by experiments and predicted by theoretical analyses. The equilibrium constant and the molar Gibbs free energy of nanoadsorption were found to increase with smaller nanoparticle size. However, the effects of particle size on the molar enthalpy and the molar entropy are uncertain. In addition, the molar Gibbs free energy, the molar enthalpy, the molar entropy and the logarithm of the equilibrium constant are linearly related to the reciprocal of the diameter of the nanoparticle. The thermodynamic properties revealed in this study may provide important guidelines for research and application in the field of nanoadsorption

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.

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

Interfaces at equilibrium: A guide to fundamentals.

Science.gov (United States)

Marmur, Abraham

2017-06-01

The fundamentals of the thermodynamics of interfaces are reviewed and concisely presented. The discussion starts with a short review of the elements of bulk thermodynamics that are also relevant to interfaces. It continues with the interfacial thermodynamics of two-phase systems, including the definition of interfacial tension and adsorption. Finally, the interfacial thermodynamics of three-phase (wetting) systems is discussed, including the topic of non-wettable surfaces. A clear distinction is made between equilibrium conditions, in terms of minimizing energies (internal, Gibbs or Helmholtz), and equilibrium indicators, in terms of measurable, intrinsic properties (temperature, chemical potential, pressure). It is emphasized that the equilibrium indicators are the same whatever energy is minimized, if the boundary conditions are properly chosen. Also, to avoid a common confusion, a distinction is made between systems of constant volume and systems with drops of constant volume. Copyright © 2016 Elsevier B.V. All rights reserved.

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.

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

Geometric description of BTZ black hole thermodynamics

International Nuclear Information System (INIS)

Quevedo, Hernando; Sanchez, Alberto

2009-01-01

We study the properties of the space of thermodynamic equilibrium states of the Banados-Teitelboim-Zanelli (BTZ) black hole in (2+1) gravity. We use the formalism of geometrothermodynamics to introduce in the space of equilibrium states a two-dimensional thermodynamic metric whose curvature is nonvanishing, indicating the presence of thermodynamic interaction, and free of singularities, indicating the absence of phase transitions. Similar results are obtained for generalizations of the BTZ black hole which include a Chern-Simons term and a dilatonic field. Small logarithmic corrections of the entropy turn out to be represented by small corrections of the thermodynamic curvature, reinforcing the idea that thermodynamic curvature is a measure of thermodynamic interaction.

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.

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.

Non-equilibrium supramolecular polymerization.

Science.gov (United States)

Sorrenti, Alessandro; Leira-Iglesias, Jorge; Markvoort, Albert J; de Greef, Tom F A; Hermans, Thomas M

2017-09-18

Supramolecular polymerization has been traditionally focused on the thermodynamic equilibrium state, where one-dimensional assemblies reside at the global minimum of the Gibbs free energy. The pathway and rate to reach the equilibrium state are irrelevant, and the resulting assemblies remain unchanged over time. In the past decade, the focus has shifted to kinetically trapped (non-dissipative non-equilibrium) structures that heavily depend on the method of preparation (i.e., pathway complexity), and where the assembly rates are of key importance. Kinetic models have greatly improved our understanding of competing pathways, and shown how to steer supramolecular polymerization in the desired direction (i.e., pathway selection). The most recent innovation in the field relies on energy or mass input that is dissipated to keep the system away from the thermodynamic equilibrium (or from other non-dissipative states). This tutorial review aims to provide the reader with a set of tools to identify different types of self-assembled states that have been explored so far. In particular, we aim to clarify the often unclear use of the term "non-equilibrium self-assembly" by subdividing systems into dissipative, and non-dissipative non-equilibrium states. Examples are given for each of the states, with a focus on non-dissipative non-equilibrium states found in one-dimensional supramolecular polymerization.

A generalized nonlocal vector calculus

Science.gov (United States)

Alali, Bacim; Liu, Kuo; Gunzburger, Max

2015-10-01

A nonlocal vector calculus was introduced in Du et al. (Math Model Meth Appl Sci 23:493-540, 2013) that has proved useful for the analysis of the peridynamics model of nonlocal mechanics and nonlocal diffusion models. A formulation is developed that provides a more general setting for the nonlocal vector calculus that is independent of particular nonlocal models. It is shown that general nonlocal calculus operators are integral operators with specific integral kernels. General nonlocal calculus properties are developed, including nonlocal integration by parts formula and Green's identities. The nonlocal vector calculus introduced in Du et al. (Math Model Meth Appl Sci 23:493-540, 2013) is shown to be recoverable from the general formulation as a special example. This special nonlocal vector calculus is used to reformulate the peridynamics equation of motion in terms of the nonlocal gradient operator and its adjoint. A new example of nonlocal vector calculus operators is introduced, which shows the potential use of the general formulation for general nonlocal models.

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...

Entropy equilibrium equation and dynamic entropy production in environment liquid

Institute of Scientific and Technical Information of China (English)

无

2002-01-01

The entropy equilibrium equation is the basis of the nonequilibrium state thermodynamics. But the internal energy implies the kinetic energy of the fluid micelle relative to mass center in the classical entropy equilibrium equation at present. This internal energy is not the mean kinetic energy of molecular movement in thermodynamics. Here a modified entropy equilibrium equation is deduced, based on the concept that the internal energy is just the mean kinetic energy of the molecular movement. A dynamic entropy production is introduced into the entropy equilibrium equation to describe the dynamic process distinctly. This modified entropy equilibrium equation can describe not only the entropy variation of the irreversible processes but also the reversible processes in a thermodynamic system. It is more reasonable and suitable for wider applications.

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)

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

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

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

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

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

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...

Thermodynamics of Fluids Under Flow Second Edition

CERN Document Server

Jou, David; Criado-Sancho, Manuel

2011-01-01

This is the second edition of the book “Thermodynamics of Fluids under Flow,” which was published in 2000 and has now been corrected, expanded and updated. This is a companion book to our other title Extended irreversible thermodynamics (D. Jou, J. Casas-Vázquez and G. Lebon, Springer, 4th edition 2010), and of the textbook Understanding non-equilibrium thermodynamics (G. Lebon, D. Jou and J. Casas-Vázquez, Springer, 2008. The present book is more specialized than its counterpart, as it focuses its attention on the non-equilibrium thermodynamics of flowing fluids, incorporating non-trivial thermodynamic contributions of the flow, going beyond local equilibrium theories, i.e., including the effects of internal variables and of external forcing due to the flow. Whereas the book's first edition was much more focused on polymer solutions, with brief glimpses into ideal and real gases, the present edition covers a much wider variety of systems, such as: diluted and concentrated polymer solutions, polymer ble...

Modern thermodynamics

CERN Document Server

Ben-Naim, Arieh

2017-01-01

This textbook introduces thermodynamics with a modern approach, starting from four fundamental physical facts (the atomic nature of matter, the indistinguishability of atoms and molecules of the same species, the uncertainty principle, and the existence of equilibrium states) and analyzing the behavior of complex systems with the tools of information theory, in particular with Shannon's measure of information (or SMI), which can be defined on any probability distribution. SMI is defined and its properties and time evolution are illustrated, and it is shown that the entropy is a particular type of SMI, i.e. the SMI related to the phase-space distribution for a macroscopic system at equilibrium. The connection to SMI allows the reader to understand what entropy is and why isolated systems follow the Second Law of Thermodynamics. The Second Llaw is also formulated for other systems, not thermally isolated and even open with respect to the transfer of particles. All the fundamental aspects of thermodynamics are d...

Thermodynamics and statistical physics. 2. rev. ed.

International Nuclear Information System (INIS)

Schnakenberg, J.

2002-01-01

This textbook covers tthe following topics: Thermodynamic systems and equilibrium, irreversible thermodynamics, thermodynamic potentials, stability, thermodynamic processes, ideal systems, real gases and phase transformations, magnetic systems and Landau model, low temperature thermodynamics, canonical ensembles, statistical theory, quantum statistics, fermions and bosons, kinetic theory, Bose-Einstein condensation, photon gas

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.

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.

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

Nonlocal teleparallel cosmology.

Science.gov (United States)

Bahamonde, Sebastian; Capozziello, Salvatore; Faizal, Mir; Nunes, Rafael C

2017-01-01

Even though it is not possible to differentiate general relativity from teleparallel gravity using classical experiments, it could be possible to discriminate between them by quantum gravitational effects. These effects have motivated the introduction of nonlocal deformations of general relativity, and similar effects are also expected to occur in teleparallel gravity. Here, we study nonlocal deformations of teleparallel gravity along with its cosmological solutions. We observe that nonlocal teleparallel gravity (like nonlocal general relativity) is consistent with the present cosmological data obtained by SNe Ia + BAO + CC + [Formula: see text] observations. Along this track, future experiments probing nonlocal effects could be used to test whether general relativity or teleparallel gravity gives the most consistent picture of gravitational interaction.

Nonlocal teleparallel cosmology

Energy Technology Data Exchange (ETDEWEB)

Bahamonde, Sebastian [University College London, Department of Mathematics, London (United Kingdom); Capozziello, Salvatore [Universita di Napoli ' ' Federico II' ' , Dipartimento di Fisica ' ' E. Pancini' ' , Naples (Italy); Gran Sasso Science Institute, L' Aquila (Italy); Compl. Univ. di Monte S. Angelo, Naples (Italy); INFN, Napoli (Italy); Faizal, Mir [University of British Columbia - Okanagan, Irving K. Barber School of Arts and Sciences, Kelowna, BC (Canada); University of Lethbridge, Department of Physics and Astronomy, Lethbridge, AB (Canada); Nunes, Rafael C. [Universidade Federal de Juiz de Fora, Departamento de Fisica, Juiz de Fora, MG (Brazil)

2017-09-15

Even though it is not possible to differentiate general relativity from teleparallel gravity using classical experiments, it could be possible to discriminate between them by quantum gravitational effects. These effects have motivated the introduction of nonlocal deformations of general relativity, and similar effects are also expected to occur in teleparallel gravity. Here, we study nonlocal deformations of teleparallel gravity along with its cosmological solutions. We observe that nonlocal teleparallel gravity (like nonlocal general relativity) is consistent with the present cosmological data obtained by SNe Ia + BAO + CC + H{sub 0} observations. Along this track, future experiments probing nonlocal effects could be used to test whether general relativity or teleparallel gravity gives the most consistent picture of gravitational interaction. (orig.)

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

Some aspects of plasma thermodynamics

International Nuclear Information System (INIS)

Gorgoraki, V.I.

1986-01-01

The objective reasons which have inhibited the development of a plasma-thermodynamics theory are discussed and the authors formulate the fundamental principles which can be the basis of a common plasma-thermodynamics theory. Two kinds of thermodynamic equilibrium plasmas are discussed, an isothermal plasma and a nonisothermal plasma. An isothermal plasma is a high-temperature plasma; the Saha-Eggert equation describes its behavior. A nonisothermal plasma is a low-temperature plasma, and the reactions taking place therein are purely plasma-chemical. The ionization equilibrium and the composition of such a plasma can be found with the aid of the equations presented in this paper

Covariant Thermodynamics of Quantum Systems: Passivity, Semipassivity, and the Unruh Effect

NARCIS (Netherlands)

Kuckert, Bernd

2001-01-01

According to the Second Law of Thermodynamics, cycles applied to thermodynamic equilibrium states cannot perform any work (passivity property of thermodynamic equilibrium states). In the presence of matter this can hold only in the rest frame of the matter, as moving matter makes windmills and

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.

Nonlocal gauge theories

International Nuclear Information System (INIS)

Krasnikov, N.V.

1987-01-01

Nonlocal gauge theories including gravity are considered. It is shown that the introduction of the additional nonlocal interaction makes γ 5 -anomalous theories meaningful. The introduction of such interaction leads to macrocausal unitary theory, which describes the interaction of massive vector fields with fermion fields. It is shown that nonlocal gauge theories with nonlocal scale Λ nl ≤(1-10) TeV can solve the gauge hierarchy problem. An example of nonlinear grand unified gauge model in which topologically nontrivial finite energy monopole solutions are absent is found

A radiation dependent ionization model for laser produced plasmas

International Nuclear Information System (INIS)

Busquet, M.

1996-01-01

RADIOM is a non-Local Thermodynamical Equilibrium Atomic Physics model, accounting for x-ray reabsorption. We present shortly the model, its introduction in hydrodynamic codes and a few application. copyright 1996 American Institute of Physics

Lagrangian formulation of irreversible thermodynamics and the second law of thermodynamics.

Science.gov (United States)

Glavatskiy, K S

2015-05-28

We show that the equations which describe irreversible evolution of a system can be derived from a variational principle. We suggest a Lagrangian, which depends on the properties of the normal and the so-called "mirror-image" system. The Lagrangian is symmetric in time and therefore compatible with microscopic reversibility. The evolution equations in the normal and mirror-imaged systems are decoupled and describe therefore independent irreversible evolution of each of the systems. The second law of thermodynamics follows from a symmetry of the Lagrangian. Entropy increase in the normal system is balanced by the entropy decrease in the mirror-image system, such that there exists an "integral of evolution" which is a constant. The derivation relies on the property of local equilibrium, which states that the local relations between the thermodynamic quantities in non-equilibrium are the same as in equilibrium.

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.

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...

The equilibrium of neural firing: A mathematical theory

Energy Technology Data Exchange (ETDEWEB)

Lan, Sizhong, E-mail: lsz@fuyunresearch.org [Fuyun Research, Beijing, 100055 (China)

2014-12-15

Inspired by statistical thermodynamics, we presume that neuron system has equilibrium condition with respect to neural firing. We show that, even with dynamically changeable neural connections, it is inevitable for neural firing to evolve to equilibrium. To study the dynamics between neural firing and neural connections, we propose an extended communication system where noisy channel has the tendency towards fixed point, implying that neural connections are always attracted into fixed points such that equilibrium can be reached. The extended communication system and its mathematics could be useful back in thermodynamics.

Nonlocal constitutive equations of elasto-visco-plasticity coupled with damage and temperature

Directory of Open Access Journals (Sweden)

Liu Weijie

2016-01-01

Full Text Available In this paper, the nonlocal anisothermal elasto-visco-plastic constitutive equations strongly coupled with ductile isotropic damage, nonlinear isotropic hardening and kinematic hardening are developed to model the material behaviour under finite strain. The new micromorphic variable of damage is introduced into the principle of virtual power and new additional balance equations are obtained. Thermodynamically-consistent nonlocal constitutive equations are then deduced. The evolution equations are deduced from the generalized normality rule for the Norton-Hoff visco-plastic potential. This model is used to simulate various material responses under different velocities at high temperature. The micromorphic parameters of damage: micromorphic density and H moduli are studied to examine the effects of micromorphic damage. Biaxial tension is performed to make a comparison between the local damage model and the micromorphic damage model.

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

Violation of the First Law of Thermodynamics in f(R,T) Gravity

International Nuclear Information System (INIS)

Jamil, Mubasher; Momeni, D.; Myrzakulov, Ratbay

2012-01-01

We derive the first law of thermodynamics using the method proposed by Wald. Treating the entropy as Noether charge and comparing with the usual first law of thermodynamics, we obtain explicitly the expression of entropy which contains infinitely many non-local terms (i.e. the integral terms). We have proved, in general, that the first law of black hole thermodynamics is violated for f(R,T) gravity. However, there might exist some special cases in which the first law for f(R,T) gravity is recovered

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.

Non equilibrium atomic processes and plasma spectroscopy

International Nuclear Information System (INIS)

Kato, Takako

2003-01-01

Along with the technical progress in plasma spectroscopy, non equilibrium ionization processes have been recently observed. We study non local thermodynamic equilibrium and non ionization equilibrium for various kinds of plasmas. Specifically we discuss non equilibrium atomic processes in magnetically confined plasmas, solar flares and laser produced plasmas using a collisional radiative model based on plasma spectroscopic data. (author)

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

Science.gov (United States)

Dannhauser, Walter

1980-01-01

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

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.

CET89 - CHEMICAL EQUILIBRIUM WITH TRANSPORT PROPERTIES, 1989

Science.gov (United States)

Mcbride, B.

1994-01-01

Scientists and engineers need chemical equilibrium composition data to calculate the theoretical thermodynamic properties of a chemical system. This information is essential in the design and analysis of equipment such as compressors, turbines, nozzles, engines, shock tubes, heat exchangers, and chemical processing equipment. The substantial amount of numerical computation required to obtain equilibrium compositions and transport properties for complex chemical systems led scientists at NASA's Lewis Research Center to develop CET89, a program designed to calculate the thermodynamic and transport properties of these systems. CET89 is a general program which will calculate chemical equilibrium compositions and mixture properties for any chemical system with available thermodynamic data. Generally, mixtures may include condensed and gaseous products. CET89 performs the following operations: it 1) obtains chemical equilibrium compositions for assigned thermodynamic states, 2) calculates dilute-gas transport properties of complex chemical mixtures, 3) obtains Chapman-Jouguet detonation properties for gaseous species, 4) calculates incident and reflected shock properties in terms of assigned velocities, and 5) calculates theoretical rocket performance for both equilibrium and frozen compositions during expansion. The rocket performance function allows the option of assuming either a finite area or an infinite area combustor. CET89 accommodates problems involving up to 24 reactants, 20 elements, and 600 products (400 of which may be condensed). The program includes a library of thermodynamic and transport properties in the form of least squares coefficients for possible reaction products. It includes thermodynamic data for over 1300 gaseous and condensed species and transport data for 151 gases. The subroutines UTHERM and UTRAN convert thermodynamic and transport data to unformatted form for faster processing. The program conforms to the FORTRAN 77 standard, except for

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.

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.

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

Thermodynamic behaviour of ruthenium at high temperatures

International Nuclear Information System (INIS)

Garisto, F.

1988-01-01

Thermodynamic equilibrium calculations are used to determine the chemical speciation of ruthenium under postulated reactor accident conditions. The speciation of ruthenium is determined for various values of temperature, pressure, oxygen partial pressure and ruthenium concentration. The importance of these variables, in particular the oxygen partial pressure, in determining the volatility of ruthenium is clearly demonstrated in this report. Reliable thermodynamic data are required to determine the behaviour of ruthenium using equilibrium calculations. Therefore, it was necessary to compile a thermodynamic database for the ruthenium species that can be formed under reactor accident conditions. The origin of the thermodynamic data for the ruthenium species included in our calculations is discussed in detail in Appendix A. 23 refs

Statistical mechanics and the foundations of thermodynamics

International Nuclear Information System (INIS)

Martin-Loef, A.

1979-01-01

These lectures are designed as an introduction to classical statistical mechanics and its relation to thermodynamics. They are intended to bridge the gap between the treatment of the subject in physics text books and the modern presentations of mathematically rigorous results. We shall first introduce the probability distributions, ensembles, appropriate for describing systems in equilibrium and consider some of their basic physical applications. We also discuss the problem of approach to equilibrium and how irreversibility comes into the dynamics. We then give a detailed description of how the law of large numbers for macrovariables in equilibrium is derived from the fact that entropy is an extensive quantity in the thermodynamic limit. We show in a natural way how to split the energy changes in an thermodynamical process into work and heat leading to a derivation of the first and second laws of thermodynamics from the rules of thermodynamical equilibrium. We have elaborated this part in detail because we feel it is quite satisfactory, that the establishment of the limit of thermodynamic functions as achieved in the modern development of the mathematical aspects of statistical mechanics allows a more general and logically clearer presentation of the bases of thermodynamics. We close these lectures by presenting the basic facts about fluctuation theory. The treatment aims to be reasonably self-contained both concerning the physics and mathematics needed. No knowledge of quantum mechanics is presupposed. Since we spent a large part on mathematical proofs and give many technical facts these lectures are probably most digestive for the mathematically inclined reader who wants to understand the physics of the subject. (HJ)

Global dynamics of a nonlocal delayed reaction-diffusion equation on a half plane

Science.gov (United States)

Hu, Wenjie; Duan, Yueliang

2018-04-01

We consider a delayed reaction-diffusion equation with spatial nonlocality on a half plane that describes population dynamics of a two-stage species living in a semi-infinite environment. A Neumann boundary condition is imposed accounting for an isolated domain. To describe the global dynamics, we first establish some a priori estimate for nontrivial solutions after investigating asymptotic properties of the nonlocal delayed effect and the diffusion operator, which enables us to show the permanence of the equation with respect to the compact open topology. We then employ standard dynamical system arguments to establish the global attractivity of the nontrivial equilibrium. The main results are illustrated by the diffusive Nicholson's blowfly equation and the diffusive Mackey-Glass equation.

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.

Thermodynamics for the practicing engineer

CERN Document Server

Theodore, Louis; Vanvliet, Timothy

2009-01-01

This book concentrates specifically on the applications of thermodynamics, rather than the theory. It addresses both technical and pragmatic problems in the field, and covers such topics as enthalpy effects, equilibrium thermodynamics, non-ideal thermodynamics and energy conversion applications. Providing the reader with a working knowledge of the principles of thermodynamics, as well as experience in their application, it stands alone as an easy-to-follow self-teaching aid to practical applications and contains worked examples.

Multipartite nonlocality distillation

International Nuclear Information System (INIS)

Hsu, Li-Yi; Wu, Keng-Shuo

2010-01-01

The stronger nonlocality than that allowed in quantum theory can provide an advantage in information processing and computation. Since quantum entanglement is distillable, can nonlocality be distilled in the nonsignalling condition? The answer is positive in the bipartite case. In this article the distillability of the multipartite nonlocality is investigated. We propose a distillation protocol solely exploiting xor operations on output bits. The probability-distribution vectors and matrix are introduced to tackle the correlators. It is shown that only the correlators with extreme values can survive the distillation process. As the main result, the amplified nonlocality cannot maximally violate any Bell-type inequality. Accordingly, a distillability criterion in the postquantum region is proposed.

Quantum Nonlocality and Reality

Science.gov (United States)

Bell, Mary; Gao, Shan

2016-09-01

Preface; Part I. John Stewart Bell: The Physicist: 1. John Bell: the Irish connection Andrew Whitaker; 2. Recollections of John Bell Michael Nauenberg; 3. John Bell: recollections of a great scientist and a great man Gian-Carlo Ghirardi; Part II. Bell's Theorem: 4. What did Bell really prove? Jean Bricmont; 5. The assumptions of Bell's proof Roderich Tumulka; 6. Bell on Bell's theorem: the changing face of nonlocality Harvey R. Brown and Christopher G. Timpson; 7. Experimental tests of Bell inequalities Marco Genovese; 8. Bell's theorem without inequalities: on the inception and scope of the GHZ theorem Olival Freire, Jr and Osvaldo Pessoa, Jr; 9. Strengthening Bell's theorem: removing the hidden-variable assumption Henry P. Stapp; Part III. Nonlocality: Illusions or Reality?: 10. Is any theory compatible with the quantum predictions necessarily nonlocal? Bernard d'Espagnat; 11. Local causality, probability and explanation Richard A. Healey; 12. Bell inequality and many-worlds interpretation Lev Vaidman; 13. Quantum solipsism and non-locality Travis Norsen; 14. Lessons of Bell's theorem: nonlocality, yes; action at a distance, not necessarily Wayne C. Myrvold; 15. Bell non-locality, Hardy's paradox and hyperplane dependence Gordon N. Fleming; 16. Some thoughts on quantum nonlocality and its apparent incompatibility with relativity Shan Gao; 17. A reasonable thing that just might work Daniel Rohrlich; 18. Weak values and quantum nonlocality Yakir Aharonov and Eliahu Cohen; Part IV. Nonlocal Realistic Theories: 19. Local beables and the foundations of physics Tim Maudlin; 20. John Bell's varying interpretations of quantum mechanics: memories and comments H. Dieter Zeh; 21. Some personal reflections on quantum non-locality and the contributions of John Bell Basil J. Hiley; 22. Bell on Bohm Sheldon Goldstein; 23. Interactions and inequality Philip Pearle; 24. Gravitation and the noise needed in objective reduction models Stephen L. Adler; 25. Towards an objective

Nonequilibrium thermodynamics of dilute polymer solutions in flow.

Science.gov (United States)

Latinwo, Folarin; Hsiao, Kai-Wen; Schroeder, Charles M

2014-11-07

Modern materials processing applications and technologies often occur far from equilibrium. To this end, the processing of complex materials such as polymer melts and nanocomposites generally occurs under strong deformations and flows, conditions under which equilibrium thermodynamics does not apply. As a result, the ability to determine the nonequilibrium thermodynamic properties of polymeric materials from measurable quantities such as heat and work is a major challenge in the field. Here, we use work relations to show that nonequilibrium thermodynamic quantities such as free energy and entropy can be determined for dilute polymer solutions in flow. In this way, we determine the thermodynamic properties of DNA molecules in strong flows using a combination of simulations, kinetic theory, and single molecule experiments. We show that it is possible to calculate polymer relaxation timescales purely from polymer stretching dynamics in flow. We further observe a thermodynamic equivalence between nonequilibrium and equilibrium steady-states for polymeric systems. In this way, our results provide an improved understanding of the energetics of flowing polymer solutions.

Non-Local Thermodynamic Equilibrium Spectrum Synthesis of Type IA Supernovae

Science.gov (United States)

Nugent, Peter Edward

1997-09-01

Type Ia supernovae (SNe Ia) are valuable distance indicators for cosmology and the elements they eject are are important for nucleosynthesis. They appear to be thermonuclear disruptions of carbon-oxygen white dwarfs that accrete from companion stars until they approach the Chandrasekbar mass, and there is a suspicion that the propagation of the nuclear burning front involves a transition from a deflagration to a detonation. Detailed modeling of the atmospheres and spectra of SNe Ia is needed to advance our understanding of SNe Ia. Comparison of synthetic and observed spectra provides information on the temperature, density, velocity, and composition of the ejected matter and thus constrain hydrodynamical models. In addition, the expanding photosphere method yields distances to individual events that are independent of distances based on the decay of 56Ni in SNe Ia and of Cepheid variable stars in the parent galaxies. This thesis is broken down into 4 major sections, each highlighting a different way with which to use spectrum synthesis to analyze SNe Ia. Chapters 2 and 3 look at normal SNe Ia and their potential use as distance indicators using SEAM. Chapter 4 examines spectral correlations with luminosity in SNe Ia and provides a plausible explanation for these correlations via spectrum synthesis. In Chapter 5 the spectra of various hydrodynamical models are calculated in an effort to answer the question of which current progenitor/explosion model is the most plausible for a SN Ia. Finally, we look at the importance of NLTE calculations and line identifications in Chapter 6. Also included are two appendices which contain more technical information concerning γ-ray deposition and the thermalization parameter.

Measurement of the non-thermal properties in a low-pressure spraying plasma

International Nuclear Information System (INIS)

Jung, Yong Ho; Chung, Kyu Sun

2002-01-01

The non-thermal properties of a low-pressure spraying plasma have been characterized by using optical emission spectroscopy and single probes installed in a fast scanning probe system. A two-temperature model of the electrons is introduced to explain their non-isothermal properties, which are measured using single probes. The excitation temperatures of the atomic and the ionic lines are calculated from measurements of the emission intensities of Ar (I) and Ar (II), and those temperatures can be explained by using a local thermodynamic equilibrium (LTE) or a non-local thermodynamic equilibrium (non-LTE) model. In order to deduce more reasonable values (excitation temperatures), we introduce a multi-thermodynamic equilibrium (MTE) model, which gives different temperatures, depending upon the atomic excitation states

Characteristics of equilibrium and perturbed transport coefficients in tokamaks

International Nuclear Information System (INIS)

Gentle, K.W.

1995-01-01

Although the evolution of a perturbation to a tokamak equilibrium can generally be described by local transport coefficients modestly enhanced above the equilibrium values, there are some significant cases for which this is inadequate. The density profile evolution in ASDEX-U occurs far more rapidly than is consistent with reasonable particle confinement times, and the evolution of cold pulses in TEXT requires nonlocal behavior in the core and some kind of anomaly near the periphery. The experiments are suggesting effects beyond standard local turbulent transport models. (orig.)

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.

GENERIC Integrators: Structure Preserving Time Integration for Thermodynamic Systems

Science.gov (United States)

Öttinger, Hans Christian

2018-04-01

Thermodynamically admissible evolution equations for non-equilibrium systems are known to possess a distinct mathematical structure. Within the GENERIC (general equation for the non-equilibrium reversible-irreversible coupling) framework of non-equilibrium thermodynamics, which is based on continuous time evolution, we investigate the possibility of preserving all the structural elements in time-discretized equations. Our approach, which follows Moser's [1] construction of symplectic integrators for Hamiltonian systems, is illustrated for the damped harmonic oscillator. Alternative approaches are sketched.

Nonlocality in Bohmian mechanics

Science.gov (United States)

Ghafar, Zati Amalina binti Mohd Abdul; Radiman, Shahidan bin; Siong, Ch'ng Han

2018-04-01

The Einstein-Podolsky-Rosen (EPR) paradox demonstrates that entangled particles can interact in such a way that it is possible to measure both their position and momentum instantaneously. The position or momentum of one particle can be determined by measuring another identical particle that exists in another space. This instantaneous action is actually called nonlocality. The nonlocality has been proved by Bell's theorem that states that all quantum theories must be nonlocal. The Bell's theorem gives a strong support to the hidden variable theory, i.e. Bohmian mechanics. Using nonlocality, we present that the velocity field of one particle can be obtained by measuring the velocity of other particles. The trajectory of these particles is perhaps surrealistic trajectory due to the nonlocality.

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

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.

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…

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.

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)

Thermal effects on the stability of circular graphene sheets via nonlocal continuum mechanics

Directory of Open Access Journals (Sweden)

Saeid Reza Asemi

Full Text Available Recently, graphene sheets have shown significant potential for environmental engineering applications such as wastewater treatment. Different non-classical theories have been used for modeling of such nano-sized systems to take account of the effect of small length scale. Among all size-dependent theories, the nonlocal elasticity theory has been commonly used to examine the stability of nano-sized structures. Some research works have been reported about the mechanical behavior of rectangular nanoplates with the consideration of thermal effects. However, in comparison with the rectangular graphene sheets, research works about the nanoplates of circular shape are very limited, especially for the buckling properties with thermal effects. Hence, in this paper, an axisymmetric buckling analysis of circular single-layered graphene sheets (SLGS is presented by decoupling the nonlocal equations of Eringen theory. Constitutive relations are modified to describe the nonlocal effects. The governing equations are derived using equilibrium equations of the circular plate in polar coordinates. Numerical solutions for buckling loads are computed using Galerkin method. It is shown that nonlocal effects play an important role in the buckling of circular nanoplates. The effects of the small scale on the buckling loads considering various parameters such as the radius of the plate, radius-to-thickness ratio, temperature change and mode numbers are investigated.

Nonlocal effective actions in semiclassical gravity: Thermal effects in stationary geometries

Science.gov (United States)

Elías, M.; Mazzitelli, F. D.; Trombetta, L. G.

2017-11-01

We compute the gravitational effective action by integrating out quantum matter fields in a weak gravitational field, using the Schwinger-Keldysh (in-in) formalism. We pay particular attention to the role of the initial quantum state in the structure of the nonlocal terms in the effective action, with an eye to nonlinear completions of the theory that may be relevant in astrophysics and cosmology. In this first paper we consider a quantum scalar field in thermal equilibrium, in a stationary gravitational field. We obtain a covariant expression for the nonlocal effective action, which can be expressed in terms of the curvature tensor, the four-velocity of the thermal bath, and the local Tolman temperature. We discuss the connection between the results for ultrastatic and static metrics through conformal transformations, and the main features of the thermal corrections to the semiclassical Einstein equations.

Some consideration on the thermodynamics of the universe

International Nuclear Information System (INIS)

Hoenl, H.

1977-01-01

It is shown that the thermodynamics of the universe display certain features that are foreign to classical thermodynamics, the discrepancy having its origin in the cosmic expansion of the universe. This is apparent, for example, in the outstanding fact that in the early stages of the universe (some 10 5 or 10 6 years after the Big Bang) the distribution of matter was essentially homogeneous and, owing to the extremely high density and temperature, was in thermodynamic equilibrium. However, in its present state, after the formation of the celestial bodies, (the inhomogeneous phase of the universe), it has moved far away from thermodynamic equilibrium. It is stated that to prove entropy conservation during the homogeneous phase of the universe, one only needs the most general thermodynamical-statistical principles. (U,K)

Thermodynamic, kinetic and mechanistic investigations of ...

Indian Academy of Sciences (India)

with respect to the rate determining step and the thermodynamic quantities with respect to the equilibrium steps were evaluated and ... are, (1) to establish a rate law through kinetic measure- ments, (2) to ..... second and third equilibrium steps.

Thermodynamic extremal principles for irreversible processes in materials science

Czech Academy of Sciences Publication Activity Database

Fischer, F. D.; Svoboda, Jiří; Petryk, H.

2014-01-01

Roč. 67, APR (2014), s. 1-20 ISSN 1359-6454 Institutional support: RVO:68081723 Keywords : Non- equilibrium * Thermodynamics * Entropy * Onsager's principle * Thermodynamic extremal principles Subject RIV: BJ - Thermodynamics Impact factor: 4.465, year: 2014

Development an efficient calibrated nonlocal plate model for nonlinear axial instability of zirconia nanosheets using molecular dynamics simulation.

Science.gov (United States)

Sahmani, S; Fattahi, A M

2017-08-01

New ceramic materials containing nanoscaled crystalline phases create a main object of scientific interest due to their attractive advantages such as biocompatibility. Zirconia as a transparent glass ceramic is one of the most useful binary oxides in a wide range of applications. In the present study, a new size-dependent plate model is constructed to predict the nonlinear axial instability characteristics of zirconia nanosheets under axial compressive load. To accomplish this end, the nonlocal continuum elasticity of Eringen is incorporated to a refined exponential shear deformation plate theory. A perturbation-based solving process is put to use to derive explicit expressions for nonlocal equilibrium paths of axial-loaded nanosheets. After that, some molecular dynamics (MD) simulations are performed for axial instability response of square zirconia nanosheets with different side lengths, the results of which are matched with those of the developed nonlocal plate model to capture the proper value of nonlocal parameter. It is demonstrated that the calibrated nonlocal plate model with nonlocal parameter equal to 0.37nm has a very good capability to predict the axial instability characteristics of zirconia nanosheets, the accuracy of which is comparable with that of MD simulation. Copyright © 2017 Elsevier Inc. All rights reserved.

Equilibrium statistical mechanics

CERN Document Server

Mayer, J E

1968-01-01

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

Thermodynamic implications of the gravitationally induced particle creation scenario

Energy Technology Data Exchange (ETDEWEB)

Saha, Subhajit [Indian Institute of Science Education and Research Kolkata, Department of Physical Sciences, Mohanpur, West Bengal (India); Mondal, Anindita [S N Bose National Centre for Basic Sciences, Department of Astrophysics and Cosmology, Kolkata, West Bengal (India)

2017-03-15

A rigorous thermodynamic analysis has been done as regards the apparent horizon of a spatially flat Friedmann-Lemaitre-Robertson-Walker universe for the gravitationally induced particle creation scenario with constant specific entropy and an arbitrary particle creation rate Γ. Assuming a perfect fluid equation of state p = (γ - 1)ρ with (2)/(3) ≤ γ ≤ 2, the first law, the generalized second law (GSL), and thermodynamic equilibrium have been studied, and an expression for the total entropy (i.e., horizon entropy plus fluid entropy) has been obtained which does not contain Γ explicitly. Moreover, a lower bound for the fluid temperature T{sub f} has also been found which is given by T{sub f} ≥ 8 (((3γ)/(2)-1)/((2)/(γ)-1)) H{sup 2}. It has been shown that the GSL is satisfied for (Γ)/(3H) ≤ 1. Further, when Γ is constant, thermodynamic equilibrium is always possible for (1)/(2) < (Γ)/(3H) < 1, while for (Γ)/(3H) ≤ min {(1)/(2), (2γ-2)/(3γ-2)} and (Γ)/(3H) ≥ 1, equilibrium can never be attained. Thermodynamic arguments also lead us to believe that during the radiation phase, Γ ≤ H. When Γ is not a constant, thermodynamic equilibrium holds if H ≥ (27)/(4) γ{sup 2}H{sup 3} (1-(Γ)/(3H)){sup 2}, however, such a condition is by no means necessary for the attainment of equilibrium. (orig.)

Thermodynamic implications of the gravitationally induced particle creation scenario

International Nuclear Information System (INIS)

Saha, Subhajit; Mondal, Anindita

2017-01-01

A rigorous thermodynamic analysis has been done as regards the apparent horizon of a spatially flat Friedmann-Lemaitre-Robertson-Walker universe for the gravitationally induced particle creation scenario with constant specific entropy and an arbitrary particle creation rate Γ. Assuming a perfect fluid equation of state p = (γ - 1)ρ with (2)/(3) ≤ γ ≤ 2, the first law, the generalized second law (GSL), and thermodynamic equilibrium have been studied, and an expression for the total entropy (i.e., horizon entropy plus fluid entropy) has been obtained which does not contain Γ explicitly. Moreover, a lower bound for the fluid temperature T f has also been found which is given by T f ≥ 8 (((3γ)/(2)-1)/((2)/(γ)-1)) H 2 . It has been shown that the GSL is satisfied for (Γ)/(3H) ≤ 1. Further, when Γ is constant, thermodynamic equilibrium is always possible for (1)/(2) < (Γ)/(3H) < 1, while for (Γ)/(3H) ≤ min {(1)/(2), (2γ-2)/(3γ-2)} and (Γ)/(3H) ≥ 1, equilibrium can never be attained. Thermodynamic arguments also lead us to believe that during the radiation phase, Γ ≤ H. When Γ is not a constant, thermodynamic equilibrium holds if H ≥ (27)/(4) γ 2 H 3 (1-(Γ)/(3H)) 2 , however, such a condition is by no means necessary for the attainment of equilibrium. (orig.)

Life, hierarchy, and the thermodynamic machinery of planet Earth.

Science.gov (United States)

Kleidon, Axel

2010-12-01

Throughout Earth's history, life has increased greatly in abundance, complexity, and diversity. At the same time, it has substantially altered the Earth's environment, evolving some of its variables to states further and further away from thermodynamic equilibrium. For instance, concentrations in atmospheric oxygen have increased throughout Earth's history, resulting in an increased chemical disequilibrium in the atmosphere as well as an increased redox gradient between the atmosphere and the Earth's reducing crust. These trends seem to contradict the second law of thermodynamics, which states for isolated systems that gradients and free energy are dissipated over time, resulting in a state of thermodynamic equilibrium. This seeming contradiction is resolved by considering planet Earth as a coupled, hierarchical and evolving non-equilibrium thermodynamic system that has been substantially altered by the input of free energy generated by photosynthetic life. Here, I present this hierarchical thermodynamic theory of the Earth system. I first present simple considerations to show that thermodynamic variables are driven away from a state of thermodynamic equilibrium by the transfer of power from some other process and that the resulting state of disequilibrium reflects the past net work done on the variable. This is applied to the processes of planet Earth to characterize the generation and transfer of free energy and its dissipation, from radiative gradients to temperature and chemical potential gradients that result in chemical, kinetic, and potential free energy and associated dynamics of the climate system and geochemical cycles. The maximization of power transfer among the processes within this hierarchy yields thermodynamic efficiencies much lower than the Carnot efficiency of equilibrium thermodynamics and is closely related to the proposed principle of Maximum Entropy Production (MEP). The role of life is then discussed as a photochemical process that generates

A predator-prey system with stage-structure for predator and nonlocal delay

DEFF Research Database (Denmark)

Lin, Z.G.; Pedersen, Michael; Zhang, Lai

2010-01-01

This paper deals with the behavior of solutions to the reaction-diffusion system under homogeneous Neumann boundary condition, which describes a prey-predator model with nonlocal delay. Sufficient conditions for the global stability of each equilibrium are derived by the Lyapunov functional...... and the results show that the introduction of stage-structure into predator positively affects the coexistence of prey and predator. Numerical simulations are performed to illustrate the results....

Matsubara-Fradkin thermodynamical quantization of Podolsky electrodynamics

International Nuclear Information System (INIS)

Bonin, C. A.; Pimentel, B. M.

2011-01-01

In this work, we apply the Matsubara-Fradkin formalism and the Nakanishi's auxiliary field method to the quantization of the Podolsky electrodynamics in thermodynamic equilibrium. This approach allows us to write consistently the path integral representation for the partition function of gauge theories in a simple manner. Furthermore, we find the Dyson-Schwinger-Fradkin equations and the Ward-Fradkin-Takahashi identities for the Podolsky theory. We also write the most general form for the polarization tensor in thermodynamic equilibrium.

Chemical engineering and thermodynamics using Mat lab

International Nuclear Information System (INIS)

Kim Heon; Kim, Moon Gap; Lee, Hak Yeong; Yeo, Yeong Gu; Ham, Seong Won

2002-02-01

This book consists of twelve chapters and four appendixes about chemical engineering and thermodynamics using Mat lab, which deals with introduction, energy budget, entropy, thermodynamics process, generalization on any fluid, engineering equation of state for PVT properties, deviation of the function, phase equilibrium of pure fluid, basic of multicomponent, phase equilibrium of compound by state equation, activity model and reaction system. The appendixes is about summary of computer program, related mathematical formula and material property of pure component.

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.

Is applicable thermodynamics of negative temperature for living organisms?

Science.gov (United States)

Atanasov, Atanas Todorov

2017-11-01

During organismal development the moment of sexual maturity can be characterizes by nearly maximum basal metabolic rate and body mass. Once the living organism reaches extreme values of the mass and the basal metabolic rate, it reaches near equilibrium thermodynamic steady state physiological level with maximum organismal complexity. Such thermodynamic systems that reach equilibrium steady state level at maximum mass-energy characteristics can be regarded from the prospective of thermodynamics of negative temperature. In these systems the increase of the internal and free energy is accompanied with decrease of the entropy. In our study we show the possibility the living organisms to regard as thermodynamic system with negative temperature

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.

Thermodynamics in f(R,T) theory of gravity

International Nuclear Information System (INIS)

Sharif, M.; Zubair, M.

2012-01-01

A non-equilibrium picture of thermodynamics is discussed at the apparent horizon of FRW universe in f(R,T) gravity, where R is the Ricci scalar and T is the trace of the energy-momentum tensor. We take two forms of the energy-momentum tensor of dark components and demonstrate that equilibrium description of thermodynamics is not achievable in both cases. We check the validity of the first and second law of thermodynamics in this scenario. It is shown that the Friedmann equations can be expressed in the form of first law of thermodynamics T h dS' h +T h d jmath S' = −dE'+W'dV, where d jmath S' is the entropy production term. Finally, we conclude that the second law of thermodynamics holds both in phantom and non-phantom phases

Calculating zeros: Non-equilibrium free energy calculations

International Nuclear Information System (INIS)

Oostenbrink, Chris; Gunsteren, Wilfred F. van

2006-01-01

Free energy calculations on three model processes with theoretically known free energy changes have been performed using short simulation times. A comparison between equilibrium (thermodynamic integration) and non-equilibrium (fast growth) methods has been made in order to assess the accuracy and precision of these methods. The three processes have been chosen to represent processes often observed in biomolecular free energy calculations. They involve a redistribution of charges, the creation and annihilation of neutral particles and conformational changes. At very short overall simulation times, the thermodynamic integration approach using discrete steps is most accurate. More importantly, reasonable accuracy can be obtained using this method which seems independent of the overall simulation time. In cases where slow conformational changes play a role, fast growth simulations might have an advantage over discrete thermodynamic integration where sufficient sampling needs to be obtained at every λ-point, but only if the initial conformations do properly represent an equilibrium ensemble. From these three test cases practical lessons can be learned that will be applicable to biomolecular free energy calculations

Thermodynamic Presynthetic Considerations for Ring-Opening Polymerization.

Science.gov (United States)

Olsén, Peter; Odelius, Karin; Albertsson, Ann-Christine

2016-03-14

The need for polymers for high-end applications, coupled with the desire to mimic nature's macromolecular machinery fuels the development of innovative synthetic strategies every year. The recently acquired macromolecular-synthetic tools increase the precision and enable the synthesis of polymers with high control and low dispersity. However, regardless of the specificity, the polymerization behavior is highly dependent on the monomeric structure. This is particularly true for the ring-opening polymerization of lactones, in which the ring size and degree of substitution highly influence the polymer formation properties. In other words, there are two important factors to contemplate when considering the particular polymerization behavior of a specific monomer: catalytic specificity and thermodynamic equilibrium behavior. This perspective focuses on the latter and undertakes a holistic approach among the different lactones with regard to the equilibrium thermodynamic polymerization behavior and its relation to polymer synthesis. This is summarized in a monomeric overview diagram that acts as a presynthetic directional cursor for synthesizing highly specific macromolecules; the means by which monomer equilibrium conversion relates to starting temperature, concentration, ring size, degree of substitution, and its implications for polymerization behavior are discussed. These discussions emphasize the importance of considering not only the catalytic system but also the monomer size and structure relations to thermodynamic equilibrium behavior. The thermodynamic equilibrium behavior relation with a monomer structure offers an additional layer of complexity to our molecular toolbox and, if it is harnessed accordingly, enables a powerful route to both monomer formation and intentional macromolecular design.

Reaction Equilibrium of the ω-Transamination of (S)-Phenylethylamine

DEFF Research Database (Denmark)

Voges, Matthias; Abu, Rohana; Deslauriers, Maria Gundersen

2017-01-01

This work focuses on the thermodynamic equilibrium of the ω-transaminase-catalyzed reaction of (S)-phenylethylamine with cyclohexanone to acetophenone and cyclohexylamine in aqueous solution. For this purpose, the equilibrium concentrations of the reaction were experimentally investigated under...... varying reaction conditions. It was observed that the temperature (30 and 37 °C), the pH (between pH 7 and pH 9), as well as the initial reactant concentrations (between 5 and 50 mmol·kg-1) influenced the equilibrium position of the reaction. The position of the reaction equilibrium was moderately shifted...... position to the reactant side. In order to explain these effects, the activity coefficients of the reacting agents were calculated and the activity-based thermodynamic equilibrium constant Kth of the reaction was determined. For this purpose, the activity coefficients of the reacting agents were modeled...

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.

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.

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.

Weakly nonlocal symplectic structures, Whitham method and weakly nonlocal symplectic structures of hydrodynamic type

International Nuclear Information System (INIS)

Maltsev, A Ya

2005-01-01

We consider the special type of field-theoretical symplectic structures called weakly nonlocal. The structures of this type are, in particular, very common for integrable systems such as KdV or NLS. We introduce here the special class of weakly nonlocal symplectic structures which we call weakly nonlocal symplectic structures of hydrodynamic type. We investigate then the connection of such structures with the Whitham averaging method and propose the procedure of 'averaging' the weakly nonlocal symplectic structures. The averaging procedure gives the weakly nonlocal symplectic structure of hydrodynamic type for the corresponding Whitham system. The procedure also gives 'action variables' corresponding to the wave numbers of m-phase solutions of the initial system which give the additional conservation laws for the Whitham system

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

A New Thermodynamics from Nuclei to Stars

Directory of Open Access Journals (Sweden)

Dieter H.E. Gross

2004-03-01

Full Text Available Abstract: Equilibrium statistics of Hamiltonian systems is correctly described by the microcanonical ensemble. Classically this is the manifold of all points in the N-body phase space with the given total energy. Due to Boltzmann's principle, eS=tr(δ(E-H, its geometrical size is related to the entropy S(E,N,.... This definition does not invoke any information theory, no thermodynamic limit, no extensivity, and no homogeneity assumption, as are needed in conventional (canonical thermo-statistics. Therefore, it describes the equilibrium statistics of extensive as well of non-extensive systems. Due to this fact it is the fundamental definition of any classical equilibrium statistics. It can address nuclei and astrophysical objects as well. All kind of phase transitions can be distinguished sharply and uniquely for even small systems. It is further shown that the second law is a natural consequence of the statistical nature of thermodynamics which describes all systems with the same -- redundant -- set of few control parameters simultaneously. It has nothing to do with the thermodynamic limit. It even works in systems which are by far than any thermodynamic "limit".

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)

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.

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.

Elements of chemical thermodynamics

CERN Document Server

Nash, Leonard K

2005-01-01

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

Ch. 33 Modeling: Computational Thermodynamics

International Nuclear Information System (INIS)

Besmann, Theodore M.

2012-01-01

This chapter considers methods and techniques for computational modeling for nuclear materials with a focus on fuels. The basic concepts for chemical thermodynamics are described and various current models for complex crystalline and liquid phases are illustrated. Also included are descriptions of available databases for use in chemical thermodynamic studies and commercial codes for performing complex equilibrium calculations.

Non-equilibrium relaxation and near-arrest dynamics in colloidal suspensions

International Nuclear Information System (INIS)

Medina-Noyola, M; RamIrez-Gonzalez, Pedro

2009-01-01

In this work we propose a theory to describe the irreversible diffusive relaxation of the local concentration of a colloidal dispersion that proceeds toward its stable thermodynamic equilibrium state, but which may in the process be trapped in metastable or dynamically arrested states. The central assumption of this theory is that the irreversible relaxation of the macroscopically observed mean value n-bar(r,t) of the local concentration of colloidal particles is described by a diffusion equation involving a local mobility b*(r,t) that depends not only on the mean value n-bar(r,t) but also on the covariance σ(r,r';t)≡δn(r,t)δn(r',t)-bar of the fluctuations δn(r,t)≡n(r,t)-n-bar(r,t). This diffusion equation must hence be solved simultaneously with the relaxation equation for the covariance σ(r,r';t), and here we also derive the corresponding relaxation equation. The dependence of the local mobility b*(r,t) on the mean value and the covariance is determined by a self-consistent set of equations involving now the spatially and temporally non-local time-dependent correlation functions, which in a uniform system in equilibrium reduces to the self-consistent generalized Langevin equation (SCGLE) theory of colloid dynamics. The resulting general theory considers the possibility that these relaxation processes occur under the influence of external fields, such as gravitational forces acting in the process of sedimentation. In this paper, however, we describe a simpler application, in which the system remains spatially uniform during the irreversible relaxation process, and discuss the general features of the glass transition scenario predicted by this non-equilibrium theory.

On the Activation of Quantum Nonlocality

Directory of Open Access Journals (Sweden)

Andrés Felipe Ducuara

2016-05-01

Full Text Available We report on some quantum properties of physical systems, namely, entanglement, nonlocality, k-copy nonlocality (superactivation of nonlocality, hidden nonlocality (activation of nonlocality through local filtering and the activation of nonlocality through tensoring and local filtering. The aim of this work is two-fold. First, we provide a review of the numerical procedures that must be followed in order to calculate the aforementioned properties, in particular, for any two-qubit system, and reproduce the bounds for two-qudit Werner states. Second, we use such numerical tools to calculate new bounds of these properties for two-qudit Isotropic states and two-qubit Hirsch states.

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.

The Markov process admits a consistent steady-state thermodynamic formalism

Science.gov (United States)

Peng, Liangrong; Zhu, Yi; Hong, Liu

2018-01-01

The search for a unified formulation for describing various non-equilibrium processes is a central task of modern non-equilibrium thermodynamics. In this paper, a novel steady-state thermodynamic formalism was established for general Markov processes described by the Chapman-Kolmogorov equation. Furthermore, corresponding formalisms of steady-state thermodynamics for the master equation and Fokker-Planck equation could be rigorously derived in mathematics. To be concrete, we proved that (1) in the limit of continuous time, the steady-state thermodynamic formalism for the Chapman-Kolmogorov equation fully agrees with that for the master equation; (2) a similar one-to-one correspondence could be established rigorously between the master equation and Fokker-Planck equation in the limit of large system size; (3) when a Markov process is restrained to one-step jump, the steady-state thermodynamic formalism for the Fokker-Planck equation with discrete state variables also goes to that for master equations, as the discretization step gets smaller and smaller. Our analysis indicated that general Markov processes admit a unified and self-consistent non-equilibrium steady-state thermodynamic formalism, regardless of underlying detailed models.

Thermodynamic approach to biomass gasification; Approche thermodynamique des transformations de la biomasse

Energy Technology Data Exchange (ETDEWEB)

Boissonnet, G.; Seiler, J.M.

2003-07-01

The document presents an approach of biomass transformation in presence of steam, hydrogen or oxygen. Calculation results based on thermodynamic equilibrium are discussed. The objective of gasification techniques is to increase the gas content in CO and H{sub 2}. The maximum content in these gases is obtained when thermodynamic equilibrium is approached. Any optimisation action of a process. will, thus, tend to approach thermodynamic equilibrium conditions. On the other hand, such calculations can be used to determine the conditions which lead to an increase in the production of CO and H{sub 2}. An objective is also to determine transformation enthalpies that are an important input for process calculations. Various existing processes are assessed, and associated thermodynamic limitations are evidenced. (author)

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.

What Can Reinforcement Learning Teach Us About Non-Equilibrium Quantum Dynamics

Science.gov (United States)

Bukov, Marin; Day, Alexandre; Sels, Dries; Weinberg, Phillip; Polkovnikov, Anatoli; Mehta, Pankaj

Equilibrium thermodynamics and statistical physics are the building blocks of modern science and technology. Yet, our understanding of thermodynamic processes away from equilibrium is largely missing. In this talk, I will reveal the potential of what artificial intelligence can teach us about the complex behaviour of non-equilibrium systems. Specifically, I will discuss the problem of finding optimal drive protocols to prepare a desired target state in quantum mechanical systems by applying ideas from Reinforcement Learning [one can think of Reinforcement Learning as the study of how an agent (e.g. a robot) can learn and perfect a given policy through interactions with an environment.]. The driving protocols learnt by our agent suggest that the non-equilibrium world features possibilities easily defying intuition based on equilibrium physics.

On Thermodynamic Interpretation of Transfer Entropy

Directory of Open Access Journals (Sweden)

Don C. Price

2013-02-01

Full Text Available We propose a thermodynamic interpretation of transfer entropy near equilibrium, using a specialised Boltzmann’s principle. The approach relates conditional probabilities to the probabilities of the corresponding state transitions. This in turn characterises transfer entropy as a difference of two entropy rates: the rate for a resultant transition and another rate for a possibly irreversible transition within the system affected by an additional source. We then show that this difference, the local transfer entropy, is proportional to the external entropy production, possibly due to irreversibility. Near equilibrium, transfer entropy is also interpreted as the difference in equilibrium stabilities with respect to two scenarios: a default case and the case with an additional source. Finally, we demonstrated that such a thermodynamic treatment is not applicable to information flow, a measure of causal effect.

Improved thermodynamic treatment of vacancy-mediated diffusion and creep

Czech Academy of Sciences Publication Activity Database

Fischer, F. D.; Hackl, K.; Svoboda, Jiří

2016-01-01

Roč. 108, APR (2016), s. 347-354 ISSN 1359-6454 R&D Projects: GA ČR(CZ) GA15-06390S Institutional support: RVO:68081723 Keywords : Thermodynamics * Non-equilibrium * Diffusion * Vacancies * Thermodynamic extremal principle Subject RIV: BJ - Thermodynamics Impact factor: 5.301, year: 2016

Multipartite fully nonlocal quantum states

International Nuclear Information System (INIS)

Almeida, Mafalda L.; Cavalcanti, Daniel; Scarani, Valerio; Acin, Antonio

2010-01-01

We present a general method for characterizing the quantum correlations obtained after local measurements on multipartite systems. Sufficient conditions for a quantum system to be fully nonlocal according to a given partition, as well as being (genuinely) multipartite fully nonlocal, are derived. These conditions allow us to identify all completely connected graph states as multipartite fully nonlocal quantum states. Moreover, we show that this feature can also be observed in mixed states: the tensor product of five copies of the Smolin state, a biseparable and bound entangled state, is multipartite fully nonlocal.

Local versus nonlocal information in quantum-information theory: Formalism and phenomena

International Nuclear Information System (INIS)

Horodecki, Michal; Horodecki, Ryszard; Synak-Radtke, Barbara; Horodecki, Pawel; Oppenheim, Jonathan; Sen, Aditi; Sen, Ujjwal

2005-01-01

In spite of many results in quantum information theory, the complex nature of compound systems is far from clear. In general the information is a mixture of local and nonlocal ('quantum') information. It is important from both pragmatic and theoretical points of view to know the relationships between the two components. To make this point more clear, we develop and investigate the quantum-information processing paradigm in which parties sharing a multipartite state distill local information. The amount of information which is lost because the parties must use a classical communication channel is the deficit. This scheme can be viewed as complementary to the notion of distilling entanglement. After reviewing the paradigm in detail, we show that the upper bound for the deficit is given by the relative entropy distance to so-called pseudoclassically correlated states; the lower bound is the relative entropy of entanglement. This implies, in particular, that any entangled state is informationally nonlocal - i.e., has nonzero deficit. We also apply the paradigm to defining the thermodynamical cost of erasing entanglement. We show the cost is bounded from below by relative entropy of entanglement. We demonstrate the existence of several other nonlocal phenomena which can be found using the paradigm of local information. For example, we prove the existence of a form of nonlocality without entanglement and with distinguishability. We analyze the deficit for several classes of multipartite pure states and obtain that in contrast to the GHZ state, the Aharonov state is extremely nonlocal. We also show that there do not exist states for which the deficit is strictly equal to the whole informational content (bound local information). We discuss the relation of the paradigm with measures of classical correlations introduced earlier. It is also proved that in the one-way scenario, the deficit is additive for Bell diagonal states. We then discuss complementary features of

Extent of multiparticle quantum nonlocality

International Nuclear Information System (INIS)

Jones, Nick S.; Linden, Noah; Massar, Serge

2005-01-01

It is well known that entangled quantum states are nonlocal: the corrrelations between local measurements carried out on these states cannot be reproduced by local hidden variable models. Svetlichny, followed by others, showed that multipartite quantum states are more nonlocal than bipartite ones in the sense that even some nonlocal classical models with (super-luminal) communication between some of the parties cannot reproduce the quantum correlations. Here we study in detail the kinds of nonlocality present in quantum states. More precisely, we enquire what kinds of classical communication patterns cannot reproduce quantum correlations. By studying the extremal points of the space of all multiparty probability distributions, in which all parties can make one of a pair of measurements each with two possible outcomes, we find a necessary condition for classical nonlocal models to reproduce the statistics of all quantum states. This condition extends and generalizes work of Svetlichny and others in which it was showed that a particular class of classical nonlocal models, the 'separable' models, cannot reproduce the statistics of all multiparticle quantum states. Our condition shows that the nonlocality present in some entangled multiparticle quantum states is much stronger than previously thought. We also study the sufficiency of our condition

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.

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.

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.

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.

On the modelling of microsegregation in steels involving thermodynamic databases

International Nuclear Information System (INIS)

You, D; Bernhard, C; Michelic, S; Wieser, G; Presoly, P

2016-01-01

A microsegregation model involving thermodynamic database based on Ohnaka's model is proposed. In the model, the thermodynamic database is applied for equilibrium calculation. Multicomponent alloy effects on partition coefficients and equilibrium temperatures are accounted for. Microsegregation and partition coefficients calculated using different databases exhibit significant differences. The segregated concentrations predicted using the optimized database are in good agreement with the measured inter-dendritic concentrations. (paper)

Thermodynamically based constraints for rate coefficients of large biochemical networks.

Science.gov (United States)

Vlad, Marcel O; Ross, John

2009-01-01

Wegscheider cyclicity conditions are relationships among the rate coefficients of a complex reaction network, which ensure the compatibility of kinetic equations with the conditions for thermodynamic equilibrium. The detailed balance at equilibrium, that is the equilibration of forward and backward rates for each elementary reaction, leads to compatibility between the conditions of kinetic and thermodynamic equilibrium. Therefore, Wegscheider cyclicity conditions can be derived by eliminating the equilibrium concentrations from the conditions of detailed balance. We develop matrix algebra tools needed to carry out this elimination, reexamine an old derivation of the general form of Wegscheider cyclicity condition, and develop new derivations which lead to more compact and easier-to-use formulas. We derive scaling laws for the nonequilibrium rates of a complex reaction network, which include Wegscheider conditions as a particular case. The scaling laws for the rates are used for clarifying the kinetic and thermodynamic meaning of Wegscheider cyclicity conditions. Finally, we discuss different ways of using Wegscheider cyclicity conditions for kinetic computations in systems biology.

Prediction of critical heat flux by a new local condition hypothesis

International Nuclear Information System (INIS)

Im, J. H.; Jun, K. D.; Sim, J. W.; Deng, Zhijian

1998-01-01

Critical Heat Flux(CHF) was predicted for uniformly heated vertical round tube by a new local condition hypothesis which incorporates a local true steam quality. This model successfully overcame the difficulties in predicted the subcooled and quality CHF by the thermodynamic equilibrium quality. The local true steam quality is a dependent variable of the thermodynamic equilibrium quality at the exit and the quality at the Onset of Significant Vaporization(OSV). The exit thermodynamic equilibrium quality was obtained from the heat balance, and the quality at OSV was obtained from the Saha-Zuber correlation. In the past CHF has been predicted by the experimental correlation based on local or non-local condition hypothesis. This preliminary study showed that all the available world data on uniform CHF could be predicted by the model based on the local condition hypothesis

Thermodynamics II essentials

CERN Document Server

REA, The Editors of

2013-01-01

REA's Essentials provide quick and easy access to critical information in a variety of different fields, ranging from the most basic to the most advanced. As its name implies, these concise, comprehensive study guides summarize the essentials of the field covered. Essentials are helpful when preparing for exams, doing homework and will remain a lasting reference source for students, teachers, and professionals. Thermodynamics II includes review of thermodynamic relations, power and refrigeration cycles, mixtures and solutions, chemical reactions, chemical equilibrium, and flow through nozzl

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)

Nonlocal Galileons and self-acceleration

Energy Technology Data Exchange (ETDEWEB)

Gabadadze, Gregory; Yu, Siqing, E-mail: sy1430@nyu.edu

2017-05-10

A certain class of nonlocal theories eliminates an arbitrary cosmological constant (CC) from a universe that can be perceived as our world. Dark energy then cannot be explained by a CC; it could however be due to massive gravity. We calculate the new corrections, which originate from the nonlocal terms that eliminate the CC, to the decoupling limit Lagrangian of massive gravity. The new nonlocal terms also have internal field space Galilean symmetry and are referred here as “nonlocal Galileons.” We then study a self-accelerated solution and show that the new nonlocal terms change the perturbative stability analysis. In particular, small fluctuations are now stable and non-superluminal for some simple parameter choices, whereas for the same choices the pure massive gravity fluctuations are unstable. We also study stable spherically symmetric solutions on this background.

Contact symmetries and Hamiltonian thermodynamics

International Nuclear Information System (INIS)

Bravetti, A.; Lopez-Monsalvo, C.S.; Nettel, F.

2015-01-01

It has been shown that contact geometry is the proper framework underlying classical thermodynamics and that thermodynamic fluctuations are captured by an additional metric structure related to Fisher’s Information Matrix. In this work we analyse several unaddressed aspects about the application of contact and metric geometry to thermodynamics. We consider here the Thermodynamic Phase Space and start by investigating the role of gauge transformations and Legendre symmetries for metric contact manifolds and their significance in thermodynamics. Then we present a novel mathematical characterization of first order phase transitions as equilibrium processes on the Thermodynamic Phase Space for which the Legendre symmetry is broken. Moreover, we use contact Hamiltonian dynamics to represent thermodynamic processes in a way that resembles the classical Hamiltonian formulation of conservative mechanics and we show that the relevant Hamiltonian coincides with the irreversible entropy production along thermodynamic processes. Therefore, we use such property to give a geometric definition of thermodynamically admissible fluctuations according to the Second Law of thermodynamics. Finally, we show that the length of a curve describing a thermodynamic process measures its entropy production

Pramana – Journal of Physics | Indian Academy of Sciences

Indian Academy of Sciences (India)

Effects of non-local thermodynamic equilibrium (non-LTE) condition on emission and hydrodynamics of typical inertial confinement fusion (ICF) plasmas are studied. The average degree of ionization at high temperatures is seen to be much lower compared to the values obtained from Thomas–Fermi scaling or Saha ...

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...

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).

Quadratic solitons for negative effective second-harmonic diffraction as nonlocal solitons with periodic nonlocal response function

DEFF Research Database (Denmark)

Esbensen, B.K.; Bache, Morten; Krolikowski, W.

2012-01-01

We employ the formal analogy between quadratic and nonlocal solitons to investigate analytically the properties of solitons and soliton bound states in second-harmonic generation in the regime of negative diffraction or dispersion of the second harmonic. We show that in the nonlocal description...... this regime corresponds to a periodic nonlocal response function. We then use the strongly nonlocal approximation to find analytical solutions of the families of single bright solitons and their bound states in terms of Mathieu functions....

Thermodynamics and economics

International Nuclear Information System (INIS)

Mansson, B.A.

1990-01-01

Economics, as the social science most concerned with the use and distribution of natural resources, must start to make use of the knowledge at hand in the natural sciences about such resources. In this, thermodynamics is an essential part. In a physicists terminology, human economic activity may be described as a dissipative system which flourishes by transforming and exchanging resources, goods and services. All this involves complex networks of flows of energy and materials. This implies that thermodynamics, the physical theory of energy and materials flows, must have implications for economics. On another level, thermodynamics has been recognized as a physical theory of value, with value concepts similar to those of economic theory. This paper discusses some general aspects of the significance of non-equilibrium thermodynamics for economics. The role of exergy, probably the most important of the physical measures of value, is elucidated. Two examples of integration of thermodynamics with economic theory are reviewed. First, a simple model of a steady-state production system is sued to illustrate the effects of thermodynamic process constraints. Second, the framework of a simple macroeconomic growth model is used to illustrate how some thermodynamic limitations may be integrated in macroeconomic theory

Thermodynamic metrics and optimal paths.

Science.gov (United States)

Sivak, David A; Crooks, Gavin E

2012-05-11

A fundamental problem in modern thermodynamics is how a molecular-scale machine performs useful work, while operating away from thermal equilibrium without excessive dissipation. To this end, we derive a friction tensor that induces a Riemannian manifold on the space of thermodynamic states. Within the linear-response regime, this metric structure controls the dissipation of finite-time transformations, and bestows optimal protocols with many useful properties. We discuss the connection to the existing thermodynamic length formalism, and demonstrate the utility of this metric by solving for optimal control parameter protocols in a simple nonequilibrium model.

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.

Ecosystem thermodynamics

International Nuclear Information System (INIS)

Gomez Palacio, German Rau

1998-01-01

Ecology is no more a descriptive and self-sufficient science. Many viewpoints are needed simultaneously to give a full coverage of such complex systems: ecosystems. These viewpoints come from physics, chemistry, and nuclear physics, without a new far from equilibrium thermodynamics and without new mathematical tools such as catastrophe theory, fractal theory, cybernetics and network theory, the development of ecosystem science would never have reached the point of today. Some ideas are presented about the importance that concept such as energy, entropy, exergy information and none equilibrium have in the analysis of processes taking place in ecosystems

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

Certifying the absence of quantum nonlocality

OpenAIRE

Miller, Carl A.; Shi, Yaoyun

2016-01-01

Quantum nonlocality is an inherently non-classical feature of quantum mechanics and manifests itself through violation of Bell inequalities for nonlocal games. We show that in a fairly general setting, a simple extension of a nonlocal game can certify instead the absence of quantum nonlocality. Through contraposition, our result implies that a super-classical performance for such a game ensures that a player's output is unpredictable to the other player. Previously such output unpredictabilit...

Optical Beams in Nonlocal Nonlinear Media

DEFF Research Database (Denmark)

Królikowski, W.; Bang, Ole; Wyller, J.

2003-01-01

We discuss propagation of optical beams in nonlocal Kerr-like media with the nonlocality of general form. We study the effect of nonlocality on modulational instability of the plane wave fronts, collapse of finite beams and formation of spatial solitons....

Non-local transport in a tokamak plasma divertor with recycling

International Nuclear Information System (INIS)

Abou-Assaleh, Z.; Petravic, M.; Vesey, R.

1993-01-01

The plasma transport, particle and energy fluxes, near the diverter plate with high recycling has been modeled by using an electron kinetic code (Fokker-Planck International) in conjunction with a two-fluid ambipolar code. We include the effects of ionization and excitation of the hydrogen atoms. The electron energy distribution calculated from the kinetic code shows a large deviation from Maxwellian especially near the plate. This deviation from Maxwellian is due to the non-local transport of the suprathermal electrons from the SOL, and due also to the absorption of the fast electrons by the target plate. The heat flux near the plate is shown to be nonlocal, in that it is not determined uniquely by the local plasma parameters. Therefore the classical transport coefficients in the fluid model must be modified by including a nonlocal effect to produce the kinetic results. The kinetic calculation is compared with those of the fluid code with different values of the electron heat flux limiter factor (f). To reduce the computer load, the initial condition we used corresponds to the equilibrium solution already found with the fluid code with f=0.2. The fluid and Fokker-Planck codes are relaxed until all transients associated with electron dynamics have disappeared. In section 2, we present the kinetic code. The fluid code is presented in section 3. The boundary conditions used in these simulations are given in section 4. Finally the results and conclusion of these simulations are presented in section 5

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.

Thermodynamics of adaptive molecular resolution.

Science.gov (United States)

Delgado-Buscalioni, R

2016-11-13

A relatively general thermodynamic formalism for adaptive molecular resolution (AMR) is presented. The description is based on the approximation of local thermodynamic equilibrium and considers the alchemic parameter λ as the conjugate variable of the potential energy difference between the atomistic and coarse-grained model Φ=U (1) -U (0) The thermodynamic formalism recovers the relations obtained from statistical mechanics of H-AdResS (Español et al, J. Chem. Phys. 142, 064115, 2015 (doi:10.1063/1.4907006)) and provides relations between the free energy compensation and thermodynamic potentials. Inspired by this thermodynamic analogy, several generalizations of AMR are proposed, such as the exploration of new Maxwell relations and how to treat λ and Φ as 'real' thermodynamic variablesThis article is part of the themed issue 'Multiscale modelling at the physics-chemistry-biology interface'. © 2016 The Author(s).

Towards LHC physics with nonlocal Standard Model

Energy Technology Data Exchange (ETDEWEB)

Biswas, Tirthabir, E-mail: tbiswas@loyno.edu [Department of Physics, Loyola University, 6363 St. Charles Avenue, Box 92, New Orleans, LA 70118 (United States); Okada, Nobuchika, E-mail: okadan@ua.edu [Department of Physics and Astronomy, University of Alabama, Tuscaloosa, AL 35487-0324 (United States)

2015-09-15

We take a few steps towards constructing a string-inspired nonlocal extension of the Standard Model. We start by illustrating how quantum loop calculations can be performed in nonlocal scalar field theory. In particular, we show the potential to address the hierarchy problem in the nonlocal framework. Next, we construct a nonlocal abelian gauge model and derive modifications of the gauge interaction vertex and field propagators. We apply the modifications to a toy version of the nonlocal Standard Model and investigate collider phenomenology. We find the lower bound on the scale of nonlocality from the 8 TeV LHC data to be 2.5–3 TeV.

Partition Function and Configurational Entropy in Non-Equilibrium States: A New Theoretical Model

Directory of Open Access Journals (Sweden)

Akira Takada

2018-03-01

Full Text Available A new model of non-equilibrium thermodynamic states has been investigated on the basis of the fact that all thermodynamic variables can be derived from partition functions. We have thus attempted to define partition functions for non-equilibrium conditions by introducing the concept of pseudo-temperature distributions. These pseudo-temperatures are configurational in origin and distinct from kinetic (phonon temperatures because they refer to the particular fragments of the system with specific energies. This definition allows thermodynamic states to be described either for equilibrium or non-equilibrium conditions. In addition; a new formulation of an extended canonical partition function; internal energy and entropy are derived from this new temperature definition. With this new model; computational experiments are performed on simple non-interacting systems to investigate cooling and two distinct relaxational effects in terms of the time profiles of the partition function; internal energy and configurational entropy.

A Tightly Coupled Non-Equilibrium Magneto-Hydrodynamic Model for Inductively Coupled RF Plasmas

Science.gov (United States)

2016-02-29

development a tightly coupled magneto-hydrodynamic model for Inductively Coupled Radio- Frequency (RF) Plasmas. Non Local Thermodynamic Equilibrium (NLTE...for Inductively Coupled Radio-Frequency (RF) Plasmas. Non Local Thermodynamic Equilibrium (NLTE) effects are described based on a hybrid State-to-State...Inductively Coupled Plasma (ICP) torches have wide range of possible applications which include deposition of metal coatings, synthesis of ultra-fine powders

Nonlocal response in thin-film waveguides: Loss versus nonlocality and breaking of complementarity

DEFF Research Database (Denmark)

Raza, Søren; Christensen, Thomas; Wubs, Martijn

2013-01-01

the Thomas-Fermi internal kinetic energy of the free electrons in the metal. We derive the nonlocal dispersion relations of the three waveguide structures taking into account also retardation and interband effects, and examine the delicate interplay between nonlocal response and absorption losses...

Nonlocal symmetries and nonlocal conservation laws of Maxwell's equations

International Nuclear Information System (INIS)

Anco, S.C.; Bluman, G.

1997-01-01

Nonlocal symmetries are obtained for Maxwell's equations in three space-time dimensions through the use of two potential systems involving scalar and vector potentials for the electromagnetic field. Corresponding nonlocal conservation laws are derived from these symmetries. The conservation laws yield nine functionally independent constants of motion which cannot be expressed in terms of the constants of motion arising from local conservation laws for space-time symmetries. These nine constants of motion represent additional conserved quantities for the electromagnetic field in three space endash time dimensions. copyright 1997 American Institute of Physics

Statistical equilibrium of copper in the solar atmosphere

International Nuclear Information System (INIS)

Shi, J. R.; Mashonkina, L.; Zhao, G.; Gehren, T.; Zeng, J. L.

2014-01-01

Non-local thermodynamic equilibrium (NLTE) line formation for neutral copper in the one-dimensional solar atmospheres is presented for the atomic model, including 96 terms of Cu I and the ground state of Cu II. The accurate oscillator strengths for all the line transitions in model atom and photoionization cross sections were calculated using the R-matrix method in the Russell-Saunders coupling scheme. The main NLTE mechanism for Cu I is the ultraviolet overionization. We find that NLTE leads to systematically depleted total absorption in the Cu I lines and, accordingly, positive abundance corrections. Inelastic collisions with neutral hydrogen atoms produce minor effects on the statistical equilibrium of Cu I in the solar atmosphere. For the solar Cu I lines, the departures from LTE are found to be small, the mean NLTE abundance correction of ∼0.01 dex. It was found that the six low-excitation lines, with excitation energy of the lower level E exc ≤ 1.64 eV, give a 0.14 dex lower mean solar abundance compared to that from the six E exc > 3.7 eV lines, when applying experimental gf-values of Kock and Richter. Without the two strong resonance transitions, the solar mean NLTE abundance from 10 lines of Cu I is log ε ☉ (Cu) = 4.19 ± 0.10, which is consistent within the error bars with the meteoritic value 4.25 ± 0.05 of Lodders et al. The discrepancy between E exc = 1.39-1.64 eV and E exc > 3.7 eV lines can be removed when the calculated gf-values are adopted and a mean solar abundance of log ε ☉ (Cu) = 4.24 ± 0.08 is derived.

Quantum Rényi relative entropies affirm universality of thermodynamics.

Science.gov (United States)

Misra, Avijit; Singh, Uttam; Bera, Manabendra Nath; Rajagopal, A K

2015-10-01

We formulate a complete theory of quantum thermodynamics in the Rényi entropic formalism exploiting the Rényi relative entropies, starting from the maximum entropy principle. In establishing the first and second laws of quantum thermodynamics, we have correctly identified accessible work and heat exchange in both equilibrium and nonequilibrium cases. The free energy (internal energy minus temperature times entropy) remains unaltered, when all the entities entering this relation are suitably defined. Exploiting Rényi relative entropies we have shown that this "form invariance" holds even beyond equilibrium and has profound operational significance in isothermal process. These results reduce to the Gibbs-von Neumann results when the Rényi entropic parameter α approaches 1. Moreover, it is shown that the universality of the Carnot statement of the second law is the consequence of the form invariance of the free energy, which is in turn the consequence of maximum entropy principle. Further, the Clausius inequality, which is the precursor to the Carnot statement, is also shown to hold based on the data processing inequalities for the traditional and sandwiched Rényi relative entropies. Thus, we find that the thermodynamics of nonequilibrium state and its deviation from equilibrium together determine the thermodynamic laws. This is another important manifestation of the concepts of information theory in thermodynamics when they are extended to the quantum realm. Our work is a substantial step towards formulating a complete theory of quantum thermodynamics and corresponding resource theory.

Robust non-local median filter

Science.gov (United States)

Matsuoka, Jyohei; Koga, Takanori; Suetake, Noriaki; Uchino, Eiji

2017-04-01

This paper describes a novel image filter with superior performance on detail-preserving removal of random-valued impulse noise superimposed on natural gray-scale images. The non-local means filter is in the limelight as a way of Gaussian noise removal with superior performance on detail preservation. By referring the fundamental concept of the non-local means, we had proposed a non-local median filter as a specialized way for random-valued impulse noise removal so far. In the non-local processing, the output of a filter is calculated from pixels in blocks which are similar to the block centered at a pixel of interest. As a result, aggressive noise removal is conducted without destroying the detailed structures in an original image. However, the performance of non-local processing decreases enormously in the case of high noise occurrence probability. A cause of this problem is that the superimposed noise disturbs accurate calculation of the similarity between the blocks. To cope with this problem, we propose an improved non-local median filter which is robust to the high level of corruption by introducing a new similarity measure considering possibility of being the original signal. The effectiveness and validity of the proposed method are verified in a series of experiments using natural gray-scale images.

Thermodynamics in Loop Quantum Cosmology

International Nuclear Information System (INIS)

Li, L.F.; Zhu, J.Y.

2009-01-01

Loop quantum cosmology (LQC) is very powerful to deal with the behavior of early universe. Moreover, the effective loop quantum cosmology gives a successful description of the universe in the semiclassical region. We consider the apparent horizon of the Friedmann-Robertson-Walker universe as a thermodynamical system and investigate the thermodynamics of LQC in the semiclassical region. The effective density and effective pressure in the modified Friedmann equation from LQC not only determine the evolution of the universe in LQC scenario but also are actually found to be the thermodynamic quantities. This result comes from the energy definition in cosmology (the Misner-Sharp gravitational energy) and is consistent with thermodynamic laws. We prove that within the framework of loop quantum cosmology, the elementary equation of equilibrium thermodynamics is still valid.

Comparative evaluation of kinetic, equilibrium and semi-equilibrium models for biomass gasification

Energy Technology Data Exchange (ETDEWEB)

Buragohain, Buljit [Center for Energy, Indian Institute of Technology Guwahati, Guwahati – 781 039, Assam (India); Chakma, Sankar; Kumar, Peeush [Department of Chemical Engineering, Indian Institute of Technology Guwahati, Guwahati – 781 039, Assam (India); Mahanta, Pinakeswar [Center for Energy, Indian Institute of Technology Guwahati, Guwahati – 781 039, Assam (India); Department of Mechanical Engineering, Indian Institute of Technology Guwahati, Guwahati – 781 039, Assam (India); Moholkar, Vijayanand S. [Center for Energy, Indian Institute of Technology Guwahati, Guwahati – 781 039, Assam (India); Department of Chemical Engineering, Indian Institute of Technology Guwahati, Guwahati – 781 039, Assam (India)

2013-07-01

Modeling of biomass gasification has been an active area of research for past two decades. In the published literature, three approaches have been adopted for the modeling of this process, viz. thermodynamic equilibrium, semi-equilibrium and kinetic. In this paper, we have attempted to present a comparative assessment of these three types of models for predicting outcome of the gasification process in a circulating fluidized bed gasifier. Two model biomass, viz. rice husk and wood particles, have been chosen for analysis, with gasification medium being air. Although the trends in molar composition, net yield and LHV of the producer gas predicted by three models are in concurrence, significant quantitative difference is seen in the results. Due to rather slow kinetics of char gasification and tar oxidation, carbon conversion achieved in single pass of biomass through the gasifier, calculated using kinetic model, is quite low, which adversely affects the yield and LHV of the producer gas. Although equilibrium and semi-equilibrium models reveal relative insensitivity of producer gas characteristics towards temperature, the kinetic model shows significant effect of temperature on LHV of the gas at low air ratios. Kinetic models also reveal volume of the gasifier to be an insignificant parameter, as the net yield and LHV of the gas resulting from 6 m and 10 m riser is same. On a whole, the analysis presented in this paper indicates that thermodynamic models are useful tools for quantitative assessment of the gasification process, while kinetic models provide physically more realistic picture.

Statistical Thermodynamics and Microscale Thermophysics

Science.gov (United States)

Carey, Van P.

1999-08-01

Many exciting new developments in microscale engineering are based on the application of traditional principles of statistical thermodynamics. In this text Van Carey offers a modern view of thermodynamics, interweaving classical and statistical thermodynamic principles and applying them to current engineering systems. He begins with coverage of microscale energy storage mechanisms from a quantum mechanics perspective and then develops the fundamental elements of classical and statistical thermodynamics. Subsequent chapters discuss applications of equilibrium statistical thermodynamics to solid, liquid, and gas phase systems. The remainder of the book is devoted to nonequilibrium thermodynamics of transport phenomena and to nonequilibrium effects and noncontinuum behavior at the microscale. Although the text emphasizes mathematical development, Carey includes many examples and exercises to illustrate how the theoretical concepts are applied to systems of scientific and engineering interest. In the process he offers a fresh view of statistical thermodynamics for advanced undergraduate and graduate students, as well as practitioners, in mechanical, chemical, and materials engineering.

Nonlocal continuum field theories

CERN Document Server

2002-01-01

Nonlocal continuum field theories are concerned with material bodies whose behavior at any interior point depends on the state of all other points in the body -- rather than only on an effective field resulting from these points -- in addition to its own state and the state of some calculable external field. Nonlocal field theory extends classical field theory by describing the responses of points within the medium by functionals rather than functions (the "constitutive relations" of classical field theory). Such considerations are already well known in solid-state physics, where the nonlocal interactions between the atoms are prevalent in determining the properties of the material. The tools developed for crystalline materials, however, do not lend themselves to analyzing amorphous materials, or materials in which imperfections are a major part of the structure. Nonlocal continuum theories, by contrast, can describe these materials faithfully at scales down to the lattice parameter. This book presents a unif...

Non-LTE calculation of HCL earthlimb emission and implication for detection of HCl in the atmosphere

Science.gov (United States)

Kumer, J. B.; James, T. C.

1982-01-01

Calculation results are presented for the contribution of the non-Local Thermodynamic Equilibrium process of resonant scattering of sunlight in the 1-0 band of HCl to the earthlimb radiance, for the case of tangent altitudes from 20 to 90 km. It is established that the mechanism in question is a significant contributor to radiance at altitudes as low as 20 km, and that it becomes greater than the Local Thermodynamic Equilibrium contribution above 40 km. Attention is given to the prospects for detection of HCl at altitudes approaching 80 km, by means of the Cryogenic Limb Array Etalon Spectrometer scheduled for deployment by the NASA Upper Atmospheric Research Satellite.

NLTE steady-state response matrix method.

Science.gov (United States)

Faussurier, G.; More, R. M.

2000-05-01

A connection between atomic kinetics and non-equilibrium thermodynamics has been recently established by using a collisional-radiative model modified to include line absorption. The calculated net emission can be expressed as a non-local thermodynamic equilibrium (NLTE) symmetric response matrix. In the paper, this connection is extended to both cases of the average-atom model and the Busquet's model (RAdiative-Dependent IOnization Model, RADIOM). The main properties of the response matrix still remain valid. The RADIOM source function found in the literature leads to a diagonal response matrix, stressing the absence of any frequency redistribution among the frequency groups at this order of calculation.

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.

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.

International thermodynamic tables of the fluid state propylene (propene)

CERN Document Server

Angus, S; De Reuck, K M

2013-01-01

International Thermodynamic Tables of the Fluid State - 7 Propylene (Propene) is a compilation of internationally agreed values of the equilibrium thermodynamic properties of propylene. This book is composed of three chapters, and begins with the presentation of experimental result of thermodynamic studies compared with the equations used to generate the tables. The succeeding chapter deals with correlating equations for thermodynamic property determination of propylene. The last chapter provides the tabulations of the propylene's thermodynamic properties and constants. This book will prove

Thermodynamics and structure of liquid metals from a consistent optimized random phase approximation

International Nuclear Information System (INIS)

Akinlade, O.; Badirkhan, Z.; Pastore, G.

2000-05-01

We study thermodynamics and structural properties of several liquid metals to assess the validity of the generalized non-local model potential (GNMP) of Li et. al. [J.Phys. F16,309 (1986)]. By using a new thermodynamically consistent version of the optimized random phase approximation (ORPA), especially adapted to continuous reference potentials, we improve our previous results obtained within the variational approach based on the Gibbs - Bogoliubov inequality. Hinging on the unified and very accurate evaluation of structure factors and thermodynamic quantities provided by the ORPA, we find that the GNMP yields satisfactory results for the alkali metals, however, those for the polyvalent metals point to a substantial inadequacy of the GNMP for high valence systems. (author)

Nonequilibrium thermodynamics and information theory: basic concepts and relaxing dynamics

International Nuclear Information System (INIS)

Altaner, Bernhard

2017-01-01

Thermodynamics is based on the notions of energy and entropy. While energy is the elementary quantity governing physical dynamics, entropy is the fundamental concept in information theory. In this work, starting from first principles, we give a detailed didactic account on the relations between energy and entropy and thus physics and information theory. We show that thermodynamic process inequalities, like the second law, are equivalent to the requirement that an effective description for physical dynamics is strongly relaxing. From the perspective of information theory, strongly relaxing dynamics govern the irreversible convergence of a statistical ensemble towards the maximally non-commital probability distribution that is compatible with thermodynamic equilibrium parameters. In particular, Markov processes that converge to a thermodynamic equilibrium state are strongly relaxing. Our framework generalizes previous results to arbitrary open and driven systems, yielding novel thermodynamic bounds for idealized and real processes. (paper)

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.

Advanced numerical simulation based on a non-local micromorphic model for metal forming processes

Directory of Open Access Journals (Sweden)

Diamantopoulou Evangelia

2016-01-01

Full Text Available An advanced numerical methodology is developed for metal forming simulation based on thermodynamically-consistent nonlocal constitutive equations accounting for various fully coupled mechanical phenomena under finite strain in the framework of micromorphic continua. The numerical implementation into ABAQUS/Explicit is made for 2D quadrangular elements thanks to the VUEL users’ subroutine. Simple examples with presence of a damaged area are made in order to show the ability of the proposed methodology to describe the independence of the solution from the space discretization.

Renyi statistics in equilibrium statistical mechanics

International Nuclear Information System (INIS)

Parvan, A.S.; Biro, T.S.

2010-01-01

The Renyi statistics in the canonical and microcanonical ensembles is examined both in general and in particular for the ideal gas. In the microcanonical ensemble the Renyi statistics is equivalent to the Boltzmann-Gibbs statistics. By the exact analytical results for the ideal gas, it is shown that in the canonical ensemble, taking the thermodynamic limit, the Renyi statistics is also equivalent to the Boltzmann-Gibbs statistics. Furthermore it satisfies the requirements of the equilibrium thermodynamics, i.e. the thermodynamical potential of the statistical ensemble is a homogeneous function of first degree of its extensive variables of state. We conclude that the Renyi statistics arrives at the same thermodynamical relations, as those stemming from the Boltzmann-Gibbs statistics in this limit.

Pramana – Journal of Physics | Indian Academy of Sciences

Indian Academy of Sciences (India)

Home; Journals; Pramana – Journal of Physics. N K Gupta. Articles written in Pramana – Journal of Physics. Volume 59 Issue 1 July 2002 pp 33-51 Research Articles. Effects of non-local thermodynamic equilibrium conditions on numerical simulations of inertial confinement fusion plasmas · N K Gupta B K Godwal.

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.

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.

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.

Nonlocality and localizability in quantum mechanics

International Nuclear Information System (INIS)

Matsuno, K.

1989-01-01

Nonlocality of simultaneous spatial correlation of a quantum phenomenon as demonstrated in various versions of Einstein-Podolsky-Rosen type experiment reduces to nonlocality of the measurement apparatus in the sense that the eigen-wavefunctions for the apparatus are completely specified in a manner of being independent of whatever object it may measure. Nonlocality of the measurement apparatus however serves as no more than a good approximation to reality at best. The theoretical imposition of nonlocality of the measurement apparatus as an approximation is compatible with the actual locality of quantum mechanics that dispenses with an agent claiming globally simultaneous specifiability of boundary conditions, though the genuine locality of quantum mechanics has to be examined without employing the nonlocality of the measurement apparatus. The actual locality of quantum mechanics is intrinsically irreversible in its development

Non-Equilibrium Radiative Transfer in Structured Atmospheres

National Research Council Canada - National Science Library

Picard, R. H; Winick, J. R; Wintersteiner, P. P

2002-01-01

... passage of both atmospheric gravity waves and transient frontal disturbances or bores. The infrared emissions from this part of the atmosphere are already typically not in local thermodynamic equilibrium (LTE...

Can EPR non-locality be geometrical?

International Nuclear Information System (INIS)

Ne'eman, Y.

1995-01-01

The presence in Quantum Mechanics of non-local correlations is one of the two fundamentally non-intuitive features of that theory. The non-local correlations themselves fall into two classes: EPR and Geometrical. The non-local characteristics of the geometrical type are well-understood and are not suspected of possibly generating acausal features, such as faster-than-light propagation of information. This has especially become true since the emergence of a geometrical treatment for the relevant gauge theories, i.e. Fiber Bundle geometry, in which the quantum non-localities are seen to correspond to pure homotopy considerations. This aspect is reviewed in section 2. Contrary-wise, from its very conception, the EPR situation was felt to be paradoxical. It has been suggested that the non-local features of EPR might also derive from geometrical considerations, like all other non-local characteristics of QM. In[7], one of the authors was able to point out several plausibility arguments for this thesis, emphasizing in particular similarities between the non-local correlations provided by any gauge field theory and those required by the preservation of the quantum numbers of the original EPR state-vector, throughout its spatially-extended mode. The derivation was, however, somewhat incomplete, especially because of the apparent difference between, on the one hand, the closed spatial loops arising in the analysis of the geometrical non-localities, from Aharonov-Bohm and Berry phases to magnetic monopoles and instantons, and on the other hand, in the EPR case, the open line drawn by the positions of the two moving decay products of the disintegrating particle. In what follows, the authors endeavor to remove this obstacle and show that as in all other QM non-localities, EPR is somehow related to closed loops, almost involving homotopy considerations. They develop this view in section 3

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

Constraining generalized non-local cosmology from Noether symmetries.

Science.gov (United States)

Bahamonde, Sebastian; Capozziello, Salvatore; Dialektopoulos, Konstantinos F

2017-01-01

We study a generalized non-local theory of gravity which, in specific limits, can become either the curvature non-local or teleparallel non-local theory. Using the Noether symmetry approach, we find that the coupling functions coming from the non-local terms are constrained to be either exponential or linear in form. It is well known that in some non-local theories, a certain kind of exponential non-local couplings is needed in order to achieve a renormalizable theory. In this paper, we explicitly show that this kind of coupling does not need to be introduced by hand, instead, it appears naturally from the symmetries of the Lagrangian in flat Friedmann-Robertson-Walker cosmology. Finally, we find de Sitter and power-law cosmological solutions for different non-local theories. The symmetries for the generalized non-local theory are also found and some cosmological solutions are also achieved using the full theory.

Thermodynamics of phase-separating nanoalloys: Single particles and particle assemblies

Science.gov (United States)

Fèvre, Mathieu; Le Bouar, Yann; Finel, Alphonse

2018-05-01

The aim of this paper is to investigate the consequences of finite-size effects on the thermodynamics of nanoparticle assemblies and isolated particles. We consider a binary phase-separating alloy with a negligible atomic size mismatch, and equilibrium states are computed using off-lattice Monte Carlo simulations in several thermodynamic ensembles. First, a semi-grand-canonical ensemble is used to describe infinite assemblies of particles with the same size. When decreasing the particle size, we obtain a significant decrease of the solid/liquid transition temperatures as well as a growing asymmetry of the solid-state miscibility gap related to surface segregation effects. Second, a canonical ensemble is used to analyze the thermodynamic equilibrium of finite monodisperse particle assemblies. Using a general thermodynamic formulation, we show that a particle assembly may split into two subassemblies of identical particles. Moreover, if the overall average canonical concentration belongs to a discrete spectrum, the subassembly concentrations are equal to the semi-grand-canonical equilibrium ones. We also show that the equilibrium of a particle assembly with a prescribed size distribution combines a size effect and the fact that a given particle size assembly can adopt two configurations. Finally, we have considered the thermodynamics of an isolated particle to analyze whether a phase separation can be defined within a particle. When studying rather large nanoparticles, we found that the region in which a two-phase domain can be identified inside a particle is well below the bulk phase diagram, but the concentration of the homogeneous core remains very close to the bulk solubility limit.

Non-Local Effects in Kaonic Atoms

International Nuclear Information System (INIS)

Lutz, M.; Florkowski, W.

2000-01-01

Optical potentials with non-local (gradient) terms are used to describe the spectra of kaonic atoms. The strength of the non-local terms is determined from a many-body calculation of the kaon self energy in nuclear matter. We find that the non-local terms are quantitatively important and the results depend strongly on the way the gradient terms are arranged. Phenomenologically successful description is obtained for p-wave like optical potentials. It is suggested that the microscopic form of the non-local interaction terms is obtained systematically by means of a semi-classical expansion of the nucleus structure. (author)

Thermodynamic properties of organic compounds estimation methods, principles and practice

CERN Document Server

Janz, George J

1967-01-01

Thermodynamic Properties of Organic Compounds: Estimation Methods, Principles and Practice, Revised Edition focuses on the progression of practical methods in computing the thermodynamic characteristics of organic compounds. Divided into two parts with eight chapters, the book concentrates first on the methods of estimation. Topics presented are statistical and combined thermodynamic functions; free energy change and equilibrium conversions; and estimation of thermodynamic properties. The next discussions focus on the thermodynamic properties of simple polyatomic systems by statistical the

Non-local effects in kaonic atoms

International Nuclear Information System (INIS)

Lutz, M.; Florkowski, W.

2000-04-01

Optical potentials with non-local (gradient) terms are used to describe the spectra of kaonic atoms. The strength of the non-local terms is determined from a many-body calculation of the kaon self-energy in nuclear matter. The optical potentials show strong non-linearities in the nucleon density and sizeable non-local terms. We find that the non-local terms are quantitatively important and the results depend strongly on the way the gradient terms are arranged. Phenomenologically successful fits are obtained for p-wave like optical potentials. It is suggested that the microscopic form of the non-local interaction terms is obtained systematically by means of a semi-classical expansion of the nucleus structure. We conclude that a microscopic description of kaonic atom data requires further detailed studies of the microscopic K - nuclear dynamics. (orig.)

Small Systems and Limitations on the Use of Chemical Thermodynamics

Science.gov (United States)

Tovbin, Yu. K.

2018-01-01

Limitations on using chemical thermodynamics to describe small systems are formulated. These limitations follow from statistical mechanics for equilibrium and nonequilibrium processes and reflect (1) differences between characteristic relaxation times in momentum, energy, and mass transfer in different aggregate states of investigated systems; (2) achievements of statistical mechanics that allow us to determine criteria for the size of smallest region in which thermodynamics can be applied and the scale of the emergence of a new phase, along with criteria for the conditions of violating a local equilibrium. Based on this analysis, the main thermodynamic results are clarified: the phase rule for distorted interfaces, the sense and area of applicability of Gibbs's concept of passive forces, and the artificiality of Kelvin's equation as a result of limitations on the thermodynamic approach to considering small bodies. The wrongness of introducing molecular parameters into thermodynamic derivations, and the activity coefficient for an activated complex into the expression for a reaction rate constant, is demonstrated.

The Lewis Chemical Equilibrium Program with parametric study capability

Science.gov (United States)

Sevigny, R.

1981-01-01

The program was developed to determine chemical equilibrium in complex systems. Using a free energy minimization technique, the program permits calculations such as: chemical equilibrium for assigned thermodynamic states; theoretical rocket performance for both equilibrium and frozen compositions during expansion; incident and reflected shock properties; and Chapman-Jouget detonation properties. It is shown that the same program can handle solid coal in an entrained flow coal gasification problem.

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

Biochemical thermodynamics: applications of Mathematica.

Science.gov (United States)

Alberty, Robert A

2006-01-01

The most efficient way to store thermodynamic data on enzyme-catalyzed reactions is to use matrices of species properties. Since equilibrium in enzyme-catalyzed reactions is reached at specified pH values, the thermodynamics of the reactions is discussed in terms of transformed thermodynamic properties. These transformed thermodynamic properties are complicated functions of temperature, pH, and ionic strength that can be calculated from the matrices of species values. The most important of these transformed thermodynamic properties is the standard transformed Gibbs energy of formation of a reactant (sum of species). It is the most important because when this function of temperature, pH, and ionic strength is known, all the other standard transformed properties can be calculated by taking partial derivatives. The species database in this package contains data matrices for 199 reactants. For 94 of these reactants, standard enthalpies of formation of species are known, and so standard transformed Gibbs energies, standard transformed enthalpies, standard transformed entropies, and average numbers of hydrogen atoms can be calculated as functions of temperature, pH, and ionic strength. For reactions between these 94 reactants, the changes in these properties can be calculated over a range of temperatures, pHs, and ionic strengths, and so can apparent equilibrium constants. For the other 105 reactants, only standard transformed Gibbs energies of formation and average numbers of hydrogen atoms at 298.15 K can be calculated. The loading of this package provides functions of pH and ionic strength at 298.15 K for standard transformed Gibbs energies of formation and average numbers of hydrogen atoms for 199 reactants. It also provides functions of temperature, pH, and ionic strength for the standard transformed Gibbs energies of formation, standard transformed enthalpies of formation, standard transformed entropies of formation, and average numbers of hydrogen atoms for 94

Constraining generalized non-local cosmology from Noether symmetries

Energy Technology Data Exchange (ETDEWEB)

Bahamonde, Sebastian [University College London, Department of Mathematics, London (United Kingdom); Capozziello, Salvatore [Universita di Napoli ' ' Federico II' ' , Dipartimento di Fisica ' ' E. Pancini' ' , Naples (Italy); Gran Sasso Science Institute, L' Aquila (Italy); Complesso di Monte Sant' Angelo, Naples (Italy); INFN Sezione di Napoli, Naples (Italy); Dialektopoulos, Konstantinos F. [Universita di Napoli ' ' Federico II' ' , Dipartimento di Fisica ' ' E. Pancini' ' , Naples (Italy); Complesso di Monte Sant' Angelo, Naples (Italy); INFN Sezione di Napoli, Naples (Italy)

2017-11-15

We study a generalized non-local theory of gravity which, in specific limits, can become either the curvature non-local or teleparallel non-local theory. Using the Noether symmetry approach, we find that the coupling functions coming from the non-local terms are constrained to be either exponential or linear in form. It is well known that in some non-local theories, a certain kind of exponential non-local couplings is needed in order to achieve a renormalizable theory. In this paper, we explicitly show that this kind of coupling does not need to be introduced by hand, instead, it appears naturally from the symmetries of the Lagrangian in flat Friedmann-Robertson-Walker cosmology. Finally, we find de Sitter and power-law cosmological solutions for different non-local theories. The symmetries for the generalized non-local theory are also found and some cosmological solutions are also achieved using the full theory. (orig.)

Stable rotating dipole solitons in nonlocal media

DEFF Research Database (Denmark)

Lopez-Aguayo, Servando; Skupin, Stefan; Desyatnikov, Anton S.

2006-01-01

We present the first example of stable rotating two-soliton bound states in nonlinear optical media with nonlocal response. We show that, in contrast to media with local response, nonlocality opens possibilities to generate stable azimuthons.......We present the first example of stable rotating two-soliton bound states in nonlinear optical media with nonlocal response. We show that, in contrast to media with local response, nonlocality opens possibilities to generate stable azimuthons....

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

Decay to Equilibrium for Energy-Reaction-Diffusion Systems

KAUST Repository

Haskovec, Jan

2018-02-06

We derive thermodynamically consistent models of reaction-diffusion equations coupled to a heat equation. While the total energy is conserved, the total entropy serves as a driving functional such that the full coupled system is a gradient flow. The novelty of the approach is the Onsager structure, which is the dual form of a gradient system, and the formulation in terms of the densities and the internal energy. In these variables it is possible to assume that the entropy density is strictly concave such that there is a unique maximizer (thermodynamical equilibrium) given linear constraints on the total energy and suitable density constraints. We consider two particular systems of this type, namely, a diffusion-reaction bipolar energy transport system, and a drift-diffusion-reaction energy transport system with confining potential. We prove corresponding entropy-entropy production inequalities with explicitly calculable constants and establish the convergence to thermodynamical equilibrium, first in entropy and later in L norm using Cziszár–Kullback–Pinsker type inequalities.

Decay to Equilibrium for Energy-Reaction-Diffusion Systems

KAUST Repository

Haskovec, Jan; Hittmeir, Sabine; Markowich, Peter A.; Mielke, Alexander

2018-01-01

We derive thermodynamically consistent models of reaction-diffusion equations coupled to a heat equation. While the total energy is conserved, the total entropy serves as a driving functional such that the full coupled system is a gradient flow. The novelty of the approach is the Onsager structure, which is the dual form of a gradient system, and the formulation in terms of the densities and the internal energy. In these variables it is possible to assume that the entropy density is strictly concave such that there is a unique maximizer (thermodynamical equilibrium) given linear constraints on the total energy and suitable density constraints. We consider two particular systems of this type, namely, a diffusion-reaction bipolar energy transport system, and a drift-diffusion-reaction energy transport system with confining potential. We prove corresponding entropy-entropy production inequalities with explicitly calculable constants and establish the convergence to thermodynamical equilibrium, first in entropy and later in L norm using Cziszár–Kullback–Pinsker type inequalities.

Thermodynamic modelling and Gulliver-Scheil simulation of multi-component Al alloys

International Nuclear Information System (INIS)

Du Yong; Liu Shuhong; Chang, Keke; Hu Biao; Bu Mengjie; Jie Wanqi; Huang Weidong; Wang Jincheng

2012-01-01

Based on critical review for the available experimental phase diagram data of the Al-Cu-Fe-Mn, Al-Cu-Fe-Ni, Al-Cu-Fe-Si, Al-Fe-Mg-Si, Al-Fe-Mn-Si, and Al-Mg-Mn-Zn systems, a set of self-consistent thermodynamic parameters for these systems has been established using CALPHAD approach. In combination with the constituent binary, ternary, and quaternary systems, a thermodynamic database for the Al-Cu-Fe-Mg-Mn-Ni-Si-Zn system is developed. The calculated phase diagrams and invariant reactions agree well with the experimental data. The obtained database has been used to describe the solidification behaviour of Al alloys: Al365.1(91.95Al-0.46Fe-0.3Mg-0.32Mn-6.97Si, in wt.%) and Al365.2 (92.77Al-0.08Fe-0.35Mg-6.8Si, in wt.%) under both equilibrium and Gulliver-Scheil non-equilibrium conditions. The reliability of the present thermodynamic database is verified by the good agreement between calculation and measurement for both equilibrium and Gulliver–Scheil non-equilibrium solidification.

Electrovacuum solutions in nonlocal gravity

Science.gov (United States)

Fernandes, Karan; Mitra, Arpita

2018-05-01

We consider the coupling of the electromagnetic field to a nonlocal gravity theory comprising of the Einstein-Hilbert action in addition to a nonlocal R □-2R term associated with a mass scale m . We demonstrate that in the case of the minimally coupled electromagnetic field, real corrections about the Reissner-Nordström background only exist between the inner Cauchy horizon and the event horizon of the black hole. This motivates us to consider the modified coupling of electromagnetism to this theory via the Kaluza ansatz. The Kaluza reduction introduces nonlocal terms involving the electromagnetic field to the pure gravitational nonlocal theory. An iterative approach is provided to perturbatively solve the equations of motion to arbitrary order in m2 about any known solution of general relativity. We derive the first-order corrections and demonstrate that the higher order corrections are real and perturbative about the external background of a Reissner-Nordström black hole. We also discuss how the Kaluza reduced action, through the inclusion of nonlocal electromagnetic fields, could also be relevant in quantum effects on curved backgrounds with horizons.

Thermodynamic and transport properties of two-temperature SF6 plasmas

International Nuclear Information System (INIS)

Wang Weizong; Rong Mingzhe; Wu Yi; Spencer, Joseph W.; Yan, Joseph D.; Mei, DanHua

2012-01-01

This paper deals with thermodynamic and transport properties of SF 6 plasmas in a two-temperature model for both thermal equilibrium and non-equilibrium conditions. The species composition and thermodynamic properties are numerically determined using the two-temperature Saha equation and Guldberg-Waage equation according to deviation of van de Sanden et al. Transport properties including diffusion coefficient, viscosity, thermal conductivity, and electrical conductivity are calculated with most recent collision interaction potentials by adopting Devoto’s electron and heavy particle decoupling approach but expanded to the third-order approximation (second-order for viscosity) in the frame of Chapman–Enskog method. The results are computed for various values of pressures from 0.1 atm to 10 atm and ratios of the electron temperature to the heavy particle temperature from 1 to 20 with electron temperature range from 300 to 40 000 K. In the local thermodynamic equilibrium regime, results are compared with available results of previously published studies.

Application of thermodynamics to silicate crystalline solutions

Science.gov (United States)

Saxena, S. K.

1972-01-01

A review of thermodynamic relations is presented, describing Guggenheim's regular solution models, the simple mixture, the zeroth approximation, and the quasi-chemical model. The possibilities of retrieving useful thermodynamic quantities from phase equilibrium studies are discussed. Such quantities include the activity-composition relations and the free energy of mixing in crystalline solutions. Theory and results of the study of partitioning of elements in coexisting minerals are briefly reviewed. A thermodynamic study of the intercrystalline and intracrystalline ion exchange relations gives useful information on the thermodynamic behavior of the crystalline solutions involved. Such information is necessary for the solution of most petrogenic problems and for geothermometry. Thermodynamic quantities for tungstates (CaWO4-SrWO4) are calculated.

Unified criteria for multipartite quantum nonlocality

Energy Technology Data Exchange (ETDEWEB)

Cavalcanti, E. G. [Centre for Quantum Dynamics, Griffith University, Brisbane, Queensland 4111 (Australia); He, Q. Y.; Reid, M. D. [Centre for Atom Optics and Ultrafast Spectroscopy and Centre for Quantum-Atom Optics (Australian Research Council), Swinburne University of Technology, Melbourne (Australia); Wiseman, H. M. [Centre for Quantum Dynamics, Griffith University, Brisbane, Queensland 4111 (Australia); Centre for Quantum Computation and Communication Technology (Australian Research Council), Griffith University, Brisbane, Queensland 4111 (Australia)

2011-09-15

Wiseman and co-workers [H. M. Wiseman, S. J. Jones, and A. C. Doherty, Phys. Rev. Lett. 98, 140402, (2007)] proposed a distinction among the nonlocality classes of Bell's nonlocality, Einstein-Podolsky-Rosen (EPR) paradox or steering, and entanglement based on whether or not an overseer trusts each party in a bipartite scenario where they are asked to demonstrate entanglement. Here we extend that concept to the multipartite case and derive inequalities that progressively test for those classes of nonlocality, with different thresholds for each level. This framework includes the three classes of nonlocality above in special cases and introduces a family of others.

Unified criteria for multipartite quantum nonlocality

International Nuclear Information System (INIS)

Cavalcanti, E. G.; He, Q. Y.; Reid, M. D.; Wiseman, H. M.

2011-01-01

Wiseman and co-workers [H. M. Wiseman, S. J. Jones, and A. C. Doherty, Phys. Rev. Lett. 98, 140402, (2007)] proposed a distinction among the nonlocality classes of Bell's nonlocality, Einstein-Podolsky-Rosen (EPR) paradox or steering, and entanglement based on whether or not an overseer trusts each party in a bipartite scenario where they are asked to demonstrate entanglement. Here we extend that concept to the multipartite case and derive inequalities that progressively test for those classes of nonlocality, with different thresholds for each level. This framework includes the three classes of nonlocality above in special cases and introduces a family of others.

Limiting processes in non-equilibrium classical statistical mechanics

International Nuclear Information System (INIS)

Jancel, R.

1983-01-01

After a recall of the basic principles of the statistical mechanics, the results of ergodic theory, the transient at the thermodynamic limit and his link with the transport theory near the equilibrium are analyzed. The fundamental problems put by the description of non-equilibrium macroscopic systems are investigated and the kinetic methods are stated. The problems of the non-equilibrium statistical mechanics are analyzed: irreversibility and coarse-graining, macroscopic variables and kinetic description, autonomous reduced descriptions, limit processes, BBGKY hierarchy, limit theorems [fr

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.

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.

Nonlocal diffusion and applications

CERN Document Server

Bucur, Claudia

2016-01-01

Working in the fractional Laplace framework, this book provides models and theorems related to nonlocal diffusion phenomena. In addition to a simple probabilistic interpretation, some applications to water waves, crystal dislocations, nonlocal phase transitions, nonlocal minimal surfaces and Schrödinger equations are given. Furthermore, an example of an s-harmonic function, its harmonic extension and some insight into a fractional version of a classical conjecture due to De Giorgi are presented. Although the aim is primarily to gather some introductory material concerning applications of the fractional Laplacian, some of the proofs and results are new. The work is entirely self-contained, and readers who wish to pursue related subjects of interest are invited to consult the rich bibliography for guidance.

Modulational instability in nonlocal nonlinear Kerr media

DEFF Research Database (Denmark)

Krolikowski, Wieslaw; Bang, Ole; Juul Rasmussen, Jens

2001-01-01

We study modulational instability (MI) of plane waves in nonlocal nonlinear Kerr media. For a focusing nonlinearity we show that, although the nonlocality tends to suppress MI, it can never remove it completely, irrespective of the particular profile of the nonlocal response function. For a defoc...

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 ...

Analysis of non-equilibrium phenomena in inductively coupled plasma generators

Energy Technology Data Exchange (ETDEWEB)

Zhang, W.; Panesi, M., E-mail: mpanesi@illinois.edu [University of Illinois at Urbana-Champaign, Urbana, Illinois 61822 (United States); Lani, A. [Von Karman Institute for Fluid Dynamics, Rhode-Saint-Genèse (Belgium)

2016-07-15

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

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

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.

Unified criteria for multipartite quantum nonlocality

Science.gov (United States)

Cavalcanti, E. G.; He, Q. Y.; Reid, M. D.; Wiseman, H. M.

2011-09-01

Wiseman and co-workers [H. M. Wiseman, S. J. Jones, and A. C. Doherty, Phys. Rev. Lett.PRLTAO0031-900710.1103/PhysRevLett.98.140402 98, 140402, (2007)] proposed a distinction among the nonlocality classes of Bell's nonlocality, Einstein-Podolsky-Rosen (EPR) paradox or steering, and entanglement based on whether or not an overseer trusts each party in a bipartite scenario where they are asked to demonstrate entanglement. Here we extend that concept to the multipartite case and derive inequalities that progressively test for those classes of nonlocality, with different thresholds for each level. This framework includes the three classes of nonlocality above in special cases and introduces a family of others.

Ruppeiner theory of black hole thermodynamics

International Nuclear Information System (INIS)

Aman, Jan E; Bedford, James; Grumiller, Daniel; Pidokrajt, Narit; Ward, John

2007-01-01

The Ruppeiner metric as determined by the Hessian of the Gibbs surface provides a geometric description of thermodynamic systems in equilibrium. An interesting example is a black hole in equilibrium with its own Hawking radiation. In this article, we present results from the Ruppeiner study of various black hole families from different gravity theories e.g. 2D dilaton gravity, BTZ, general relativity and higher-dimensional Einstein-Maxwell gravity

A New Application for Radioimmunoassay: Measurement of Thermodynamic Constants.

Science.gov (United States)

Angstadt, Carol N.; And Others

1983-01-01

Describes a laboratory experiment in which an equilibrium radioimmunoassay (RIA) is used to estimate thermodynamic parameters such as equilibrium constants. The experiment is simple and inexpensive, and it introduces a technique that is important in the clinical chemistry and research laboratory. Background information, procedures, and results are…

Travelling wave and convergence in stage-structured reaction-diffusion competitive models with nonlocal delays

International Nuclear Information System (INIS)

Xu Rui; Chaplain, M.A.J.; Davidson, F.A.

2006-01-01

In this paper, we first investigate a stage-structured competitive model with time delays, harvesting, and nonlocal spatial effect. By using an iterative technique recently developed by Wu and Zou (Wu J, Zou X. Travelling wave fronts of reaction-diffusion systems with delay. J Dynam Differen Equat 2001;13:651-87), sufficient conditions are established for the existence of travelling front solution connecting the two boundary equilibria in the case when there is no positive equilibrium. The travelling wave front corresponds to an invasion by a stronger species which drives the weaker species to extinction. Secondly, we consider a stage-structured competitive model with time delays and nonlocal spatial effect when the domain is finite. We prove the global stability of each of the nonnegative equilibria and demonstrate that the more complex model studied here admits three possible long term behaviors: coexistence, bistability and dominance as is the case for the standard Lotka-Voltera competitive model

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.

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)

Robustness of multiparty nonlocality to local decoherence

International Nuclear Information System (INIS)

Jang, Sung Soon; Cheong, Yong Wook; Kim, Jaewan; Lee, Hai-Woong

2006-01-01

We investigate the robustness of multiparty nonlocality under local decoherence, acting independently and equally on each subsystem. To be specific, we consider an N-qubit Greenberger-Horne-Zeilinger (GHZ) state under a depolarization, dephasing, or dissipation channel, and examine nonlocality by testing violation of the Mermin-Klyshko inequality, which is one of Bell's inequalities for multiqubit systems. The results show that the robustness of nonlocality increases with the number of qubits, and that the nonlocality of an N-qubit GHZ state with even N is extremely persistent against dephasing

Extreme nonlocality with one photon

Energy Technology Data Exchange (ETDEWEB)

Heaney, Libby; Vedral, Vlatko [Department of Physics, University of Oxford, Clarendon Laboratory, Oxford, OX1 3PU (United Kingdom); Cabello, Adan [Departamento de Fisica Aplicada II, Universidad de Sevilla, E-41012 Sevilla (Spain); Santos, Marcelo Franca, E-mail: l.heaney1@physics.ox.ac.uk, E-mail: adan@us.es [Departamento de Fisica, Universidade Federal de Minas Gerais, Belo Horizonte, Caixa Postal 702, 30123-970, MG (Brazil)

2011-05-15

Quantum nonlocality is typically assigned to systems of two or more well-separated particles, but nonlocality can also exist in systems consisting of just a single particle when one considers the subsystems to be distant spatial field modes. Single particle nonlocality has been confirmed experimentally via a bipartite Bell inequality. In this paper, we introduce an N-party Hardy-like proof of the impossibility of local elements of reality and a Bell inequality for local realistic theories in the case of a single particle superposed symmetrically over N spatial field modes (i.e. N qubit W state). We show that, in the limit of large N, the Hardy-like proof effectively becomes an all-versus-nothing (or Greenberger-Horne-Zeilinger (GHZ)-like) proof, and the quantum-classical gap of the Bell inequality tends to be the same as that in a three-particle GHZ experiment. We describe how to test the nonlocality in realistic systems.

Thermodynamic and experimental studies of the CVD of A-15 superconductors. I

International Nuclear Information System (INIS)

Madar, R.; Weiss, F.; Fruchart, R.; Bernard, C.

1978-01-01

This paper deals with the experimental and thermodynamic study of the chemical vapor deposition (CVD) synthesis of Nb 3 Ga layers on various metallic and insulating substrates using the coreduction of mixed halides by hydrogen. Thermodynamic equilibrium in the seven-component system Nb-Ga-H-Cl-Si-O-Ar has been calculated using the method of minimization of the system Gibbs free energy as a function of the variables directly available in the CVD system. The chosen variables were the chloride ratio, the reduction and dilution parameters and the temperature of the deposition zone. The equilibrium compositions were calculated for the two composition limits of the A-15 phase: NbGasub(0.15) and Nb 3 Ga. They are presented in the form of CVD phase diagrams. A CVD reactor has been set up and more than one hundred measurements have been made in order to check the validity of the equilibrium calculations. The comparisons between equilibrium and experimental results show a good agreement and lead to a better understanding of the chemistry and thermodynamics of the system. (Auth.)

Hyperbolic metamaterial lens with hydrodynamic nonlocal response

DEFF Research Database (Denmark)

Yan, Wei; Mortensen, N. Asger; Wubs, Martijn

2013-01-01

We investigate the effects of hydrodynamic nonlocal response in hyperbolic metamaterials (HMMs), focusing on the experimentally realizable parameter regime where unit cells are much smaller than an optical wavelength but much larger than the wavelengths of the longitudinal pressure waves...... of the free-electron plasma in the metal constituents. We derive the nonlocal corrections to the effective material parameters analytically, and illustrate the noticeable nonlocal effects on the dispersion curves numerically. As an application, we find that the focusing characteristics of a HMM lens...... in the local-response approximation and in the hydrodynamic Drude model can differ considerably. In particular, the optimal frequency for imaging in the nonlocal theory is blueshifted with respect to that in the local theory. Thus, to detect whether nonlocal response is at work in a hyperbolic metamaterial, we...

Understanding Thermal Equilibrium through Activities

Science.gov (United States)

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

2015-01-01

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

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.

Determination and thermodynamic modeling of solid–liquid phase equilibrium for 3,5-dichloroaniline in pure solvents and ternary 3,5-dichloroaniline + 1,3,5-trichlorobenzene + toluene system

International Nuclear Information System (INIS)

Li, Rongrong; Du, Cunbin; Meng, Long; Han, Shuo; Wang, Jian; Zhao, Hongkun

2016-01-01

Highlights: • Solubility of 3,5-dichloroaniline in seven organic solvents were determined. • Solid–liquid phase equilibrium for ternary system was measured. • The binary and ternary phase diagrams were constructed. • The phase diagrams were correlated with thermodynamic models. - Abstract: The solid–liquid phase equilibrium data for 3,5-dichloroaniline in n-propanol, isopropanol, n-butanol, isobutanol, toluene, ethyl acetate and acetone at (283.15 to 308.15) K were determined experimentally by gas chromatography under 101.3 kPa. The solubility of 3,5-dichloroaniline in these solvents decreased according to the following order: ethyl acetate > (acetone, toluene) for the solvents of ethyl acetate, acetone, and toluene; and for the other solvents, (isopropanol, n-butanol) > n-propanol > isobutanol. According to the solubility of 3,5-dichloroaniline in pure solvents, the solid–liquid phase equilibrium for the ternary mixture of 3,5-dichloroaniline + 1,3,5-trichlorobenzene + toluene were measured by using an isothermal saturation method at three temperatures of 283.15, 293.15, and 303.15 K under 101.3 kPa, and the corresponding isothermal phase diagrams were constructed. Two pure solids were formed in the ternary system at a fixed temperature, which were pure 3,5-dichloroaniline and pure 1,3,5-trichlorobenzene and were identified by Schreinemakers’ method of wet residue. The temperature dependence of 3,5-dichloroaniline solubility in pure solvents was correlated by the modified Apelblat equation, λh equation, Wilson model and NRTL model; and the ternary solid–liquid phase equilibrium of 3,5-dichloroaniline + 1,3,5-trichlorobenzene + toluene were described by the Wilson model and NRTL model. Results showed that calculated solubility values with these models agreed well with the experimental ones for the studied binary and ternary systems. The solid–liquid equilibrium and the thermodynamic models for the binary and ternary systems can offer the

Theoretical Insight of Physical Adsorption for a Single-Component Adsorbent + Adsorbate System: I. Thermodynamic Property Surfaces

KAUST Repository

Chakraborty, Anutosh; Saha, Bidyut Baran; Ng, Kim Choon; Koyama, Shigeru; Srinivasan, Kandadai

2009-01-01

Thermodynamic property surfaces for a single-component adsorbent + adsorbate system are derived and developed from the viewpoint of classical thermodynamics, thermodynamic requirements of chemical equilibrium, Gibbs law, and Maxwell relations

Thermodynamics and kinetics of vesicles formation processes.

Science.gov (United States)

Guida, Vincenzo

2010-12-15

Vesicles are hollow aggregates, composed of bilayers of amphiphilic molecules, dispersed into and filled with a liquid solvent. These aggregates can be formed either as equilibrium or as out of equilibrium meta-stable structures and they exhibit a rich variety of different morphologies. The surprising richness of structures, the vast range of industrial applications and the presence of vesicles in a number of biological systems have attracted the interest of numerous researchers and scientists. In this article, we review both the thermodynamics and the kinetics aspects of the phenomena of formation of vesicles. We start presenting the thermodynamics of bilayer membranes formation and deformation, with the aim of deriving the conditions for the existence of equilibrium vesicles. Specifically, we use the results from continuum thermodynamics to discuss the possibility of formation of stable equilibrium vesicles, from both mixed amphiphiles and single component systems. We also link the bilayer membrane properties to the molecular structure of the starting amphiphiles. In the second part of this article, we focus on the dynamics and kinetics of vesiculation. We review the process of vesicles formation both from planar lamellar phase under shear and from isotropic micelles. In order to clarify the physical mechanisms of vesicles formation, we continuously draw a parallel between emulsification and vesiculation processes. Specifically, we compare the experimental results, the driving forces and the relative scaling laws identified for the two processes. Describing the dynamics of vesicles formation, we also discuss why non equilibrium vesicles can be formed by kinetics control and why they are meta-stable. Understanding how to control the properties, the stability and the formation process of vesicles is of fundamental importance for a vast number of industrial applications. Copyright © 2009. Published by Elsevier B.V.

Positive Nonlinear Dynamical Group Uniting Quantum Mechanics and Thermodynamics

OpenAIRE

Beretta, Gian Paolo

2006-01-01

We discuss and motivate the form of the generator of a nonlinear quantum dynamical group 'designed' so as to accomplish a unification of quantum mechanics (QM) and thermodynamics. We call this nonrelativistic theory Quantum Thermodynamics (QT). Its conceptual foundations differ from those of (von Neumann) quantum statistical mechanics (QSM) and (Jaynes) quantum information theory (QIT), but for thermodynamic equilibrium (TE) states it reduces to the same mathematics, and for zero entropy stat...

Thermodynamic Calculations for Systems Biocatalysis

DEFF Research Database (Denmark)

Abu, Rohana; Gundersen, Maria T.; Woodley, John M.

2015-01-01

the transamination of a pro-chiral ketone into a chiral amine (interesting in many pharmaceutical applications). Here, the products are often less energetically stable than the reactants, meaning that the reaction may be thermodynamically unfavourable. As in nature, such thermodynamically-challenged reactions can...... on the basis of kinetics. However, many of the most interesting non-natural chemical reactions which could potentially be catalysed by enzymes, are thermodynamically unfavourable and are thus limited by the equilibrium position of the reaction. A good example is the enzyme ω-transaminase, which catalyses...... be altered by coupling with other reactions. For instance, in the case of ω-transaminase, such a coupling could be with alanine dehydrogenase. Herein, the aim of this work is to identify thermodynamic bottlenecks within a multi-enzyme process, using group contribution method to calculate the Gibbs free...

Nonlocal hidden variables and nonlocal gauge theories

International Nuclear Information System (INIS)

Boiteux, M.

1984-01-01

A possible unification of classical fundamental interactions together with quantum interactions is proposed, based on an extension of the concept of local gauge invariance to a nonlocal gauge invariance. As an example this new concept is developed for the particular case of the electromagnetic field. (Auth.)

Delay-active damage versus non-local enhancement for anisotropic damage dynamics computations with alternated loading

International Nuclear Information System (INIS)

Desmorat, R.; Chambart, M.; Gatuingt, F.; Guilbaud, D.

2010-01-01

Anisotropic damage thermodynamics framework allows to model the concrete-like materials behavior and in particular their dissymmetric tension/compression response. To deal with dynamics applications such as impact, it is furthermore necessary to take into account the strain rate effect observed experimentally. This is done in the present work by means of anisotropic visco-damage, by introducing a material strain rate effect in the cases of positive hydrostatic stresses only. The proposed delay-damage law assumes no viscous effect in compression as the consideration of inertia effects proves sufficient to model the apparent material strength increase. High-rate dynamics applications imply to deal with wave propagation and reflection which can generate alternated loading in the impacted structure. In order to do so, the key concept of active damage is defined and introduced within both the damage criterion and the delay-damage evolution law. At the structural level, strain localization often leads to spurious mesh dependency. Three-dimensional Finite Element computations of dynamic tensile tests by spalling are presented, with visco-damage and either without or with non-local enhancement. Delay-damage, as introduced, regularizes the solution in fast dynamics. The location of the macro-crack initiated is found influenced by non-local regularization. The strain rate range in which each enhancement, delay-damage or non-local enhancement, has a regularizing effect is studied. (authors)

Nonlocality and entanglement in qubit systems

Energy Technology Data Exchange (ETDEWEB)

Batle, J [Departament de Fisica, Universitat de les Illes Balears, 07122 Palma de Mallorca (Spain); Casas, M, E-mail: vdfsjbv4@uib.es [Departament de Fisica and IFISC-CSIC, Universitat de les Illes Balears, 07122 Palma de Mallorca (Spain)

2011-11-04

Nonlocality and quantum entanglement constitute two special aspects of the quantum correlations existing in quantum systems, which are of paramount importance in quantum-information theory. Traditionally, they have been regarded as identical (equivalent, in fact, for pure two qubit states, that is, Gisin's Theorem), yet they constitute different resources. Describing nonlocality by means of the violation of several Bell inequalities, we obtain by direct optimization those states of two qubits that maximally violate a Bell inequality, in terms of their degree of mixture as measured by either their participation ratio R = 1/Tr({rho}{sup 2}) or their maximum eigenvalue {lambda}{sub max}. This optimum value is obtained as well, which coincides with previous results. Comparison with entanglement is performed too. An example of an application is given in the XY model. In this novel approximation, we also concentrate on the nonlocality for linear combinations of pure states of two qubits, providing a closed form for their maximal nonlocality measure. The case of Bell diagonal mixed states of two qubits is also extensively studied. Special attention concerning the connection between nonlocality and entanglement for mixed states of two qubits is paid to the so-called maximally entangled mixed states. Additional aspects for the case of two qubits are also described in detail. Since we deal with qubit systems, we will perform an analogous study for three qubits, employing similar tools. Relation between distillability and nonlocality is explored quantitatively for the whole space of states of three qubits. We finally extend our analysis to four-qubit systems, where nonlocality for generalized Greenberger-Horne-Zeilinger states of arbitrary number of parties is computed. (paper)

Nonlinear Dynamics of Silicon Nanowire Resonator Considering Nonlocal Effect.

Science.gov (United States)

Jin, Leisheng; Li, Lijie

2017-12-01

In this work, nonlinear dynamics of silicon nanowire resonator considering nonlocal effect has been investigated. For the first time, dynamical parameters (e.g., resonant frequency, Duffing coefficient, and the damping ratio) that directly influence the nonlinear dynamics of the nanostructure have been derived. Subsequently, by calculating their response with the varied nonlocal coefficient, it is unveiled that the nonlocal effect makes more obvious impacts at the starting range (from zero to a small value), while the impact of nonlocal effect becomes weaker when the nonlocal term reaches to a certain threshold value. Furthermore, to characterize the role played by nonlocal effect in exerting influence on nonlinear behaviors such as bifurcation and chaos (typical phenomena in nonlinear dynamics of nanoscale devices), we have calculated the Lyapunov exponents and bifurcation diagram with and without nonlocal effect, and results shows the nonlocal effect causes the most significant effect as the device is at resonance. This work advances the development of nanowire resonators that are working beyond linear regime.

New methods of thermodynamics; Nouvelles methodes en thermodynamique

Energy Technology Data Exchange (ETDEWEB)

NONE

2001-07-01

This day, organized by the SFT French Society of Thermology, took stock on the new methods in the domain of the thermodynamics. Eight papers have been presented during this day: new developments of the thermodynamics in finite time; the optimal efficiency of energy converters; a version of non-equilibrium thermodynamics with entropy and information as positive and negative thermal change; the role of thermodynamics in process integration; application of the thermodynamics to critical nuclear accidents; the entropic analysis help in the case of charge and discharge state of an energy storage process; fluid flow threw a stable state in the urban hydraulic; a computer code for phase diagram prediction. (A.L.B.)

Nonlocal astrophysics dark matter, dark energy and physical vacuum

CERN Document Server

Alexeev, Boris V

2017-01-01

Non-Local Astrophysics: Dark Matter, Dark Energy and Physical Vacuum highlights the most significant features of non-local theory, a highly effective tool for solving many physical problems in areas where classical local theory runs into difficulties. The book provides the fundamental science behind new non-local astrophysics, discussing non-local kinetic and generalized hydrodynamic equations, non-local parameters in several physical systems, dark matter, dark energy, black holes and gravitational waves. Devoted to the solution of astrophysical problems from the position of non-local physics Provides a solution for dark matter and dark energy Discusses cosmological aspects of the theory of non-local physics Includes a solution for the problem of the Hubble Universe expansion, and of the dependence of the orbital velocity from the center of gravity

Temperature in non-equilibrium states: a review of open problems and current proposals

International Nuclear Information System (INIS)

Casas-Vazquez, J; Jou, D

2003-01-01

The conceptual problems arising in the definition and measurement of temperature in non-equilibrium states are discussed in this paper in situations where the local-equilibrium hypothesis is no longer satisfactory. This is a necessary and urgent discussion because of the increasing interest in thermodynamic theories beyond local equilibrium, in computer simulations, in non-linear statistical mechanics, in new experiments, and in technological applications of nanoscale systems and material sciences. First, we briefly review the concept of temperature from the perspectives of equilibrium thermodynamics and statistical mechanics. Afterwards, we explore which of the equilibrium concepts may be extrapolated beyond local equilibrium and which of them should be modified, then we review several attempts to define temperature in non-equilibrium situations from macroscopic and microscopic bases. A wide review of proposals is offered on effective non-equilibrium temperatures and their application to ideal and real gases, electromagnetic radiation, nuclear collisions, granular systems, glasses, sheared fluids, amorphous semiconductors and turbulent fluids. The consistency between the different relativistic transformation laws for temperature is discussed in the new light gained from this perspective. A wide bibliography is provided in order to foster further research in this field

Plasmonic nanostructures: local versus nonlocal response

DEFF Research Database (Denmark)

Toscano, Giuseppe; Wubs, Martijn; Xiao, Sanshui

2010-01-01

, and hence it is sensitive to possible narrow resonances that may arise due to strong electronic quantum confinement in the metal. This feature allows us to accurately determine which geometries are strongly affected by nonlocal response, for example regarding applications based on electric field enhancement......We study the importance of taking the nonlocal optical response of metals into account for accurate determination of optical properties of nanoplasmonic structures. Here we focus on the computational physics aspects of this problem, and in particular we report on the nonlocal-response package...... that we wrote for state-of the art numerical software, enabling us to take into account the nonlocal material response of metals for any arbitrarily shaped nanoplasmonic structures, without much numerical overhead as compared to the standard local response. Our method is a frequency-domain method...

Nonlocal higher order evolution equations

KAUST Repository

Rossi, Julio D.; Schö nlieb, Carola-Bibiane

2010-01-01

In this article, we study the asymptotic behaviour of solutions to the nonlocal operator ut(x, t)1/4(-1)n-1 (J*Id -1)n (u(x, t)), x ∈ ℝN, which is the nonlocal analogous to the higher order local evolution equation vt(-1)n-1(Δ)nv. We prove

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.

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.

Experimental Greenberger-Horne-Zeilinger-Type Six-Photon Quantum Nonlocality.

Science.gov (United States)

Zhang, Chao; Huang, Yun-Feng; Wang, Zhao; Liu, Bi-Heng; Li, Chuan-Feng; Guo, Guang-Can

2015-12-31

Quantum nonlocality gives us deeper insight into quantum physics. In addition, quantum nonlocality has been further recognized as an essential resource for device-independent quantum information processing in recent years. Most experiments of nonlocality are performed using a photonic system. However, until now, photonic experiments of nonlocality have involved at most four photons. Here, for the first time, we experimentally demonstrate the six-photon quantum nonlocality in an all-versus-nothing manner based on a high-fidelity (88.4%) six-photon Greenberger-Horne-Zeilinger state. Our experiment pushes multiphoton nonlocality studies forward to the six-photon region and might provide a larger photonic system for device-independent quantum information protocols.

A strictly hyperbolic equilibrium phase transition model

International Nuclear Information System (INIS)

Allaire, G; Faccanoni, G; Kokh, S.

2007-01-01

This Note is concerned with the strict hyperbolicity of the compressible Euler equations equipped with an equation of state that describes the thermodynamical equilibrium between the liquid phase and the vapor phase of a fluid. The proof is valid for a very wide class of fluids. The argument only relies on smoothness assumptions and on the classical thermodynamical stability assumptions, that requires a definite negative Hessian matrix for each phase entropy as a function of the specific volume and internal energy. (authors)

Thermodynamic anomaly in magnesium hydroxide decomposition

International Nuclear Information System (INIS)

Reis, T.A.

1983-08-01

The Origin of the discrepancy in the equilibrium water vapor pressure measurements for the reaction Mg(OH) 2 (s) = MgO(s) + H 2 O(g) when determined by Knudsen effusion and static manometry at the same temperature was investigated. For this reaction undergoing continuous thermal decomposition in Knudsen cells, Kay and Gregory observed that by extrapolating the steady-state apparent equilibrium vapor pressure measurements to zero-orifice, the vapor pressure was approx. 10 -4 of that previously established by Giauque and Archibald as the true thermodynamic equilibrium vapor pressure using statistical mechanical entropy calculations for the entropy of water vapor. This large difference in vapor pressures suggests the possibility of the formation in a Knudsen cell of a higher energy MgO that is thermodynamically metastable by about 48 kJ / mole. It has been shown here that experimental results are qualitatively independent of the type of Mg(OH) 2 used as a starting material, which confirms the inferences of Kay and Gregory. Thus, most forms of Mg(OH) 2 are considered to be the stable thermodynamic equilibrium form. X-ray diffraction results show that during the course of the reaction only the equilibrium NaCl-type MgO is formed, and no different phases result from samples prepared in Knudsen cells. Surface area data indicate that the MgO molar surface area remains constant throughout the course of the reaction at low decomposition temperatures, and no significant annealing occurs at less than 400 0 C. Scanning electron microscope photographs show no change in particle size or particle surface morphology. Solution calorimetric measurements indicate no inherent hgher energy content in the MgO from the solid produced in Knudsen cells. The Knudsen cell vapor pressure discrepancy may reflect the formation of a transient metastable MgO or Mg(OH) 2 -MgO solid solution during continuous thermal decomposition in Knudsen cells

Phase coexistence in thin liquid films stabilized by colloidal particles: equilibrium and non-equilibrium properties

International Nuclear Information System (INIS)

Blawzdziewicz, J.; Wajnryb, E.

2005-01-01

Phase equilibria between regions of different thickness in thin liquid films stabilized by colloidal particles are investigated using a quasi-two-dimensional thermodynamic formalism. Appropriate equilibrium conditions for the film tension, normal pressure, and chemical potential of the particles in the film are formulated, and it is shown that the relaxation of these parameters occurs consecutively on three distinct time scales. Film stratification is described quantitatively for a hard-sphere suspension using a Monte-Carlo method to evaluate thermodynamic equations of state. Coexisting phases are determined for systems in constrained- and full-equilibrium states that correspond to different stages of film relaxation. We also evaluated the effective viscosity coefficients for two-dimensional compressional and shear flows of a film and the self and collective mobility coefficients of the stabilizing particles. The hydrodynamic calculations were performed using a multiple-reflection representation of Stokes flow between two free surfaces. In this approach, the particle-laden film is equivalent to a periodic system of spheres with a unit cell that is much smaller in the transverse direction than in the lateral direction. (author)

Nonlocal kinetic energy functionals by functional integration

Science.gov (United States)

Mi, Wenhui; Genova, Alessandro; Pavanello, Michele

2018-05-01

Since the seminal studies of Thomas and Fermi, researchers in the Density-Functional Theory (DFT) community are searching for accurate electron density functionals. Arguably, the toughest functional to approximate is the noninteracting kinetic energy, Ts[ρ], the subject of this work. The typical paradigm is to first approximate the energy functional and then take its functional derivative, δ/Ts[ρ ] δ ρ (r ) , yielding a potential that can be used in orbital-free DFT or subsystem DFT simulations. Here, this paradigm is challenged by constructing the potential from the second-functional derivative via functional integration. A new nonlocal functional for Ts[ρ] is prescribed [which we dub Mi-Genova-Pavanello (MGP)] having a density independent kernel. MGP is constructed to satisfy three exact conditions: (1) a nonzero "Kinetic electron" arising from a nonzero exchange hole; (2) the second functional derivative must reduce to the inverse Lindhard function in the limit of homogenous densities; (3) the potential is derived from functional integration of the second functional derivative. Pilot calculations show that MGP is capable of reproducing accurate equilibrium volumes, bulk moduli, total energy, and electron densities for metallic (body-centered cubic, face-centered cubic) and semiconducting (crystal diamond) phases of silicon as well as of III-V semiconductors. The MGP functional is found to be numerically stable typically reaching self-consistency within 12 iterations of a truncated Newton minimization algorithm. MGP's computational cost and memory requirements are low and comparable to the Wang-Teter nonlocal functional or any generalized gradient approximation functional.

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.

Gap solitons under competing local and nonlocal nonlinearities

International Nuclear Information System (INIS)

Kuo, Kuan-Hsien; Lin Yuanyao; Lee, Ray-Kuang; Malomed, Boris A.

2011-01-01

We analyze the existence, bifurcations, and shape transformations of one-dimensional gap solitons (GSs) in the first finite band gap induced by a periodic potential built into materials with local self-focusing and nonlocal self-defocusing nonlinearities. Originally stable on-site GS modes become unstable near the upper edge of the band gap with the introduction of the nonlocal self-defocusing nonlinearity with a small nonlocality radius. Unstable off-site GSs bifurcate into a new branch featuring single-humped, double-humped, and flat-top modes due to the competition between local and nonlocal nonlinearities. The mechanism underlying the complex bifurcation pattern and cutoff effects (termination of some bifurcation branches) is illustrated in terms of the shape transformation under the action of the varying degree of the nonlocality. The results of this work suggest a possibility of optical-signal processing by means of the competing nonlocal and local nonlinearities.

Two-temperature thermodynamic and transport properties of SF6–Cu plasmas

International Nuclear Information System (INIS)

Wu, Yi; Chen, Zhexin; Yang, Fei; Rong, Mingzhe; Sun, Hao; Cressault, Yann; Murphy, Anthony B; Guo, Anxiang; Liu, Zirui

2015-01-01

SF 6 and Cu are widely adopted in electrical equipment as a dielectric medium and for conductive components, respectively. SF 6 –Cu plasmas are frequently formed, particularly in high-voltage circuit breaker arcs and fault current arcs, due to erosion of the Cu components. In this paper, calculated values of the thermodynamic and transport properties of plasmas in SF 6 –Cu mixtures are presented for both thermal equilibrium and non-equilibrium conditions. The composition is determined by the two-temperature Saha equation and Guldberg–Waage equation in the form derived by van de Sanden. The composition and the thermodynamic properties are evaluated through a classical statistical mechanics approach. For the transport coefficients, the simplified Chapman–Enskog method developed by Devoto, which decouples the electrons and heavy species, has been applied using the most recent collision integrals. The thermodynamic and transport properties are calculated for different electron temperatures (300–40 000 K), ratios of electron to heavy-species temperature (1–10), pressures (0.1–10 atm) and copper molar proportions (0–50%). It is found that deviations from thermal equilibrium strongly affect the thermodynamic and transport properties of the SF 6 –Cu plasmas. Further, the presence of copper has different effects on some of the properties for plasmas in and out of thermal equilibrium. The main reason for these changes is that dissociation reactions are delayed for non-thermal equilibrium plasmas, which in turn influences the ionization reactions that occur. (paper)

Hyperbolic metamaterial lens with hydrodynamic nonlocal response.

Science.gov (United States)

Yan, Wei; Mortensen, N Asger; Wubs, Martijn

2013-06-17

We investigate the effects of hydrodynamic nonlocal response in hyperbolic metamaterials (HMMs), focusing on the experimentally realizable parameter regime where unit cells are much smaller than an optical wavelength but much larger than the wavelengths of the longitudinal pressure waves of the free-electron plasma in the metal constituents. We derive the nonlocal corrections to the effective material parameters analytically, and illustrate the noticeable nonlocal effects on the dispersion curves numerically. As an application, we find that the focusing characteristics of a HMM lens in the local-response approximation and in the hydrodynamic Drude model can differ considerably. In particular, the optimal frequency for imaging in the nonlocal theory is blueshifted with respect to that in the local theory. Thus, to detect whether nonlocal response is at work in a hyperbolic metamaterial, we propose to measure the near-field distribution of a hyperbolic metamaterial lens.

Nonlocal higher order evolution equations

KAUST Repository

Rossi, Julio D.

2010-06-01

In this article, we study the asymptotic behaviour of solutions to the nonlocal operator ut(x, t)1/4(-1)n-1 (J*Id -1)n (u(x, t)), x ∈ ℝN, which is the nonlocal analogous to the higher order local evolution equation vt(-1)n-1(Δ)nv. We prove that the solutions of the nonlocal problem converge to the solution of the higher order problem with the right-hand side given by powers of the Laplacian when the kernel J is rescaled in an appropriate way. Moreover, we prove that solutions to both equations have the same asymptotic decay rate as t goes to infinity. © 2010 Taylor & Francis.

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.

The critical roles of information and nonequilibrium thermodynamics in evolution of living systems.

Science.gov (United States)

Gatenby, Robert A; Frieden, B Roy

2013-04-01

Living cells are spatially bounded, low entropy systems that, although far from thermodynamic equilibrium, have persisted for billions of years. Schrödinger, Prigogine, and others explored the physical principles of living systems primarily in terms of the thermodynamics of order, energy, and entropy. This provided valuable insights, but not a comprehensive model. We propose the first principles of living systems must include: (1) Information dynamics, which permits conversion of energy to order through synthesis of specific and reproducible, structurally-ordered components; and (2) Nonequilibrium thermodynamics, which generate Darwinian forces that optimize the system.Living systems are fundamentally unstable because they exist far from thermodynamic equilibrium, but this apparently precarious state allows critical response that includes: (1) Feedback so that loss of order due to environmental perturbations generate information that initiates a corresponding response to restore baseline state. (2) Death due to a return to thermodynamic equilibrium to rapidly eliminate systems that cannot maintain order in local conditions. (3) Mitosis that rewards very successful systems, even when they attain order that is too high to be sustainable by environmental energy, by dividing so that each daughter cell has a much smaller energy requirement. Thus, nonequilibrium thermodynamics are ultimately responsible for Darwinian forces that optimize system dynamics, conferring robustness sufficient to allow continuous existence of living systems over billions of years.

Revealing Hidden Einstein-Podolsky-Rosen Nonlocality

Science.gov (United States)

Walborn, S. P.; Salles, A.; Gomes, R. M.; Toscano, F.; Souto Ribeiro, P. H.

2011-04-01

Steering is a form of quantum nonlocality that is intimately related to the famous Einstein-Podolsky-Rosen (EPR) paradox that ignited the ongoing discussion of quantum correlations. Within the hierarchy of nonlocal correlations appearing in nature, EPR steering occupies an intermediate position between Bell nonlocality and entanglement. In continuous variable systems, EPR steering correlations have been observed by violation of Reid’s EPR inequality, which is based on inferred variances of complementary observables. Here we propose and experimentally test a new criterion based on entropy functions, and show that it is more powerful than the variance inequality for identifying EPR steering. Using the entropic criterion our experimental results show EPR steering, while the variance criterion does not. Our results open up the possibility of observing this type of nonlocality in a wider variety of quantum states.

Statistical thermodynamics of clustered populations.

Science.gov (United States)

Matsoukas, Themis

2014-08-01

We present a thermodynamic theory for a generic population of M individuals distributed into N groups (clusters). We construct the ensemble of all distributions with fixed M and N, introduce a selection functional that embodies the physics that governs the population, and obtain the distribution that emerges in the scaling limit as the most probable among all distributions consistent with the given physics. We develop the thermodynamics of the ensemble and establish a rigorous mapping to regular thermodynamics. We treat the emergence of a so-called giant component as a formal phase transition and show that the criteria for its emergence are entirely analogous to the equilibrium conditions in molecular systems. We demonstrate the theory by an analytic model and confirm the predictions by Monte Carlo simulation.

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.)

Thermodynamics of ion-exchange on ferric antimonate

International Nuclear Information System (INIS)

Rawat, J.P.; Muktawat, K.P.S.

1981-01-01

A simple approach to ion-exchange equilibria on ferric antimonate has been applied. The values of selectivity coefficients for Ba 2+ , Mg 2+ , Ca 2+ and Sr 2+ have been measured using equilibrium experiments at constant ionic strength and at different temperatures from 20 to 60 0 C. The thermodynamic equilibrium constant and values of ΔG 0 , ΔH 0 and ΔS 0 are reported. (author)

Mermin Non-Locality in Abstract Process Theories

Directory of Open Access Journals (Sweden)

Stefano Gogioso

2015-11-01

Full Text Available The study of non-locality is fundamental to the understanding of quantum mechanics. The past 50 years have seen a number of non-locality proofs, but its fundamental building blocks, and the exact role it plays in quantum protocols, has remained elusive. In this paper, we focus on a particular flavour of non-locality, generalising Mermin's argument on the GHZ state. Using strongly complementary observables, we provide necessary and sufficient conditions for Mermin non-locality in abstract process theories. We show that the existence of more phases than classical points (aka eigenstates is not sufficient, and that the key to Mermin non-locality lies in the presence of certain algebraically non-trivial phases. This allows us to show that fRel, a favourite toy model for categorical quantum mechanics, is Mermin local. We show Mermin non-locality to be the key resource ensuring the device-independent security of the HBB CQ (N,N family of Quantum Secret Sharing protocols. Finally, we challenge the unspoken assumption that the measurements involved in Mermin-type scenarios should be complementary (like the pair X,Y, opening the doors to a much wider class of potential experimental setups than currently employed. In short, we give conditions for Mermin non-locality tests on any number of systems, where each party has an arbitrary number of measurement choices, where each measurement has an arbitrary number of outcomes and further, that works in any abstract process theory.

Experimental verification of the thermodynamic properties for a jet-A fuel

Science.gov (United States)

Graciasalcedo, Carmen M.; Brabbs, Theodore A.; Mcbride, Bonnie J.

1988-01-01

Thermodynamic properties for a Jet-A fuel were determined by Shell Development Company in 1970 under a contract for NASA Lewis Research Center. The polynomial fit necessary to include Jet-A fuel (liquid and gaseous phases) in the library of thermodynamic properties of the NASA Lewis Chemical Equilibrium Program is calculated. To verify the thermodynamic data, the temperatures of mixtures of liquid Jet-A injected into a hot nitrogen stream were experimentally measured and compared to those calculated by the program. Iso-octane, a fuel for which the thermodynamic properties are well known, was used as a standard to calibrate the apparatus. The measured temperatures for the iso-octane/nitrogen mixtures reproduced the calculated temperatures except for a small loss due to the non-adiabatic behavior of the apparatus. The measurements for Jet-A were corrected for this heat loss and showed excellent agreement with the calculated temperatures. These experiments show that this process can be adequately described by the thermodynamic properties fitted for the Chemical Equilibrium Program.

Hyperbolic metamaterial lens with hydrodynamic nonlocal response

OpenAIRE

Yan, Wei; Mortensen, N. Asger; Wubs, Martijn

2013-01-01

We investigate the effects of hydrodynamic nonlocal response in hyperbolic metamaterials (HMMs), focusing on the experimentally realizable parameter regime where unit cells are much smaller than an optical wavelength but much larger than the wavelengths of the longitudinal pressure waves of the free-electron plasma in the metal constituents. We derive the nonlocal corrections to the effective material parameters analytically, and illustrate the noticeable nonlocal effects on the dispersion cu...

Frustrated Brownian Motion of Nonlocal Solitary Waves

International Nuclear Information System (INIS)

Folli, V.; Conti, C.

2010-01-01

We investigate the evolution of solitary waves in a nonlocal medium in the presence of disorder. By using a perturbational approach, we show that an increasing degree of nonlocality may largely hamper the Brownian motion of self-trapped wave packets. The result is valid for any kind of nonlocality and in the presence of nonparaxial effects. Analytical predictions are compared with numerical simulations based on stochastic partial differential equations.

A model of the extended electron and its nonlocal electromagnetic interaction: Gauge invariance of the nonlocal theory

International Nuclear Information System (INIS)

Namsrai, Kh.; Nyamtseren, N.

1994-09-01

A model of the extended electron is constructed by using definition of the d-operation. Gauge invariance of the nonlocal theory is proved. We use the Efimov approach to describe the nonlocal interaction of quantized fields. (author). 4 refs

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

Thermodynamic Analysis of Chalk–Brine–Oil Interactions

DEFF Research Database (Denmark)

Eftekhari, Ali Akbar; Thomsen, Kaj; Stenby, Erling Halfdan

2017-01-01

The surface complexation models (SCMs) are used successfully for describing the thermodynamic equilibrium between the pure calcite surface (carbonate and calcium sites) and brine solutions. In this work, we show that the model parameters that are reported for the calcite–brine system are not appl......The surface complexation models (SCMs) are used successfully for describing the thermodynamic equilibrium between the pure calcite surface (carbonate and calcium sites) and brine solutions. In this work, we show that the model parameters that are reported for the calcite–brine system...... are not applicable to the natural carbonates. We adjust the SCM reaction equilibrium constants by fitting the model to the ζ potential data that are reported for the pulverized Stevns Klint chalk. Then, we use the model, implemented in the PhreeqcRM geochemistry package coupled with a finite volume solver...... parameters for the reactive transport applications .We propose an optimization procedure that fits the coupled SCM–transport model parameters to the chromatographic (single-phase core flooding)data. The ζ potential measurements are implemented in the optimization scheme as nonlinear constraints. We then use...

Nonequilibrium candidate Monte Carlo is an efficient tool for equilibrium simulation

Energy Technology Data Exchange (ETDEWEB)

Nilmeier, J. P.; Crooks, G. E.; Minh, D. D. L.; Chodera, J. D.

2011-10-24

Metropolis Monte Carlo simulation is a powerful tool for studying the equilibrium properties of matter. In complex condensed-phase systems, however, it is difficult to design Monte Carlo moves with high acceptance probabilities that also rapidly sample uncorrelated configurations. Here, we introduce a new class of moves based on nonequilibrium dynamics: candidate configurations are generated through a finite-time process in which a system is actively driven out of equilibrium, and accepted with criteria that preserve the equilibrium distribution. The acceptance rule is similar to the Metropolis acceptance probability, but related to the nonequilibrium work rather than the instantaneous energy difference. Our method is applicable to sampling from both a single thermodynamic state or a mixture of thermodynamic states, and allows both coordinates and thermodynamic parameters to be driven in nonequilibrium proposals. While generating finite-time switching trajectories incurs an additional cost, driving some degrees of freedom while allowing others to evolve naturally can lead to large enhancements in acceptance probabilities, greatly reducing structural correlation times. Using nonequilibrium driven processes vastly expands the repertoire of useful Monte Carlo proposals in simulations of dense solvated systems.

[Thermodynamics of the origin of life, evolution and aging].

Science.gov (United States)

Gladyshev, G P

2014-01-01

Briefly discusses the history of the search of thermodynamic approach to explain the origin of life, evolution and aging of living beings. The origin of life is the result of requirement by the quasi-equilibrium hierarchical thermodynamics, in particular, the supramolecular thermodynamics. The evolution and aging of living beings is accompanied with changes of chemical and supramolecular compositions of living bodies, as well as with changes in the composition and structure of all hierarchies of the living world. The thermodynamic principle of substance stability predicts the existence of a single genetic code in our universe. The thermodynamic theory optimizes physiology and medicine and recommends antiaging diets and medicines. Hierarchical thermodynamics forms the design diversity of culture and art. The thermodynamic theory of origin of life, evolution and aging is the development of Clausius-Gibbs thermodynamics. Hierarchical thermodynamics is the mirror of Darwin-Wallace's-theory.

Some generalizations of the nonlocal transformations approach

Directory of Open Access Journals (Sweden)

V. A. Tychynin

2015-02-01

Full Text Available Some generalizations of a method of nonlocal transformations are proposed: a con­nection of given equations via prolonged nonlocal transformations and finding of an adjoint solution to the solutions of initial equation are considered. A concept of nonlocal transformation with additional variables is introduced, developed and used for searching symmetries of differential equations. A problem of inversion of the nonlocal transforma­tion with additional variables is investigated and in some cases solved. Several examples are presented. Derived technique is applied for construction of the algorithms and for­mulae of generation of solutions. The formulae derived are used for construction of exact solutions of some nonlinear equations.

Nonequilibrium thermodynamics and information theory: basic concepts and relaxing dynamics

Science.gov (United States)

Altaner, Bernhard

2017-11-01

Thermodynamics is based on the notions of energy and entropy. While energy is the elementary quantity governing physical dynamics, entropy is the fundamental concept in information theory. In this work, starting from first principles, we give a detailed didactic account on the relations between energy and entropy and thus physics and information theory. We show that thermodynamic process inequalities, like the second law, are equivalent to the requirement that an effective description for physical dynamics is strongly relaxing. From the perspective of information theory, strongly relaxing dynamics govern the irreversible convergence of a statistical ensemble towards the maximally non-commital probability distribution that is compatible with thermodynamic equilibrium parameters. In particular, Markov processes that converge to a thermodynamic equilibrium state are strongly relaxing. Our framework generalizes previous results to arbitrary open and driven systems, yielding novel thermodynamic bounds for idealized and real processes. , which features invited work from the best early-career researchers working within the scope of J. Phys. A. This project is part of the Journal of Physics series’ 50th anniversary celebrations in 2017. Bernhard Altaner was selected by the Editorial Board of J. Phys. A as an Emerging Talent.

Neutron scattering on equilibrium and nonequilibrium phonons, excitons and polaritons

International Nuclear Information System (INIS)

Broude, V.L.; Sheka, E.F.

1978-01-01

A number of problems of solid-state physics representing interest for neutron spectroscopy of future is considered. The development of the neutron inelastic scattering spectroscopy (neutron spectroscopy of equilibrium phonons) is discussed with application to nuclear dynamics of crystals in the thermodynamic equilibrium. The results of high-flux neutron source experiments on molecular crystals are presented. The advantages of neutron inelastic scattering over optical spectroscopy are discussed. The spectroscopy of quasi-equilibrium and non-equilibrium quasi-particles is discussed. In particular, the neutron scattering on polaritons, excitons in thermal equilibrium and production of light-excitons are considered. The problem of the possibility of such experiments is elucidated

Equilibrium dissociation pressures of lithium hydride and lithium deuteride

International Nuclear Information System (INIS)

Smith, H.M.; Webb, R.E.

1977-12-01

The equilibrium dissociation pressures of plateau composition lithium hydride and lithium deuteride have been measured from 450 to 750 0 C. These data were used to derive the relationship of dissociation pressure with temperature over this range and to calculate several thermodynamic properties of these materials. Thermodynamic properties determined included the enthalpy, entropy, and free energy of formation; the enthalpy and entropy of fusion; and the melting points

Gauging Non-local Quark Models

International Nuclear Information System (INIS)

Broniowski, W.

1999-09-01

The gauge effective quark model with non-local interactions is considered. It is shown how this approach regularize the theory in such a way that the anomalies are preserved and charges are properly quantized. With non-local interactions the effective action is finite to all orders in the loop expansion and there is no need to introduce the quark momentum cut-off parameter

Thermodynamics of quasi-topological cosmology

International Nuclear Information System (INIS)

Dehghani, M.H.; Sheykhi, A.; Dehghani, R.

2013-01-01

In this Letter, we study thermodynamical properties of the apparent horizon in a universe governed by quasi-topological gravity. Our aim is twofold. First, by using the variational method we derive the general form of Friedmann equation in quasi-topological gravity. Then, by applying the first law of thermodynamics on the apparent horizon, after using the entropy expression associated with the black hole horizon in quasi-topological gravity, and replacing the horizon radius, r + , with the apparent horizon radius, r -tilde A , we derive the corresponding Friedmann equation in quasi-topological gravity. We find that these two different approaches yield the same result which shows the profound connection between the first law of thermodynamics and the gravitational field equations of quasi-topological gravity. We also study the validity of the generalized second law of thermodynamics in quasi-topological cosmology. We find that, with the assumption of the local equilibrium hypothesis, the generalized second law of thermodynamics is fulfilled for the universe enveloped by the apparent horizon for the late time cosmology

Coherence and measurement in quantum thermodynamics.

Science.gov (United States)

Kammerlander, P; Anders, J

2016-02-26

Thermodynamics is a highly successful macroscopic theory widely used across the natural sciences and for the construction of everyday devices, from car engines to solar cells. With thermodynamics predating quantum theory, research now aims to uncover the thermodynamic laws that govern finite size systems which may in addition host quantum effects. Recent theoretical breakthroughs include the characterisation of the efficiency of quantum thermal engines, the extension of classical non-equilibrium fluctuation theorems to the quantum regime and a new thermodynamic resource theory has led to the discovery of a set of second laws for finite size systems. These results have substantially advanced our understanding of nanoscale thermodynamics, however putting a finger on what is genuinely quantum in quantum thermodynamics has remained a challenge. Here we identify information processing tasks, the so-called projections, that can only be formulated within the framework of quantum mechanics. We show that the physical realisation of such projections can come with a non-trivial thermodynamic work only for quantum states with coherences. This contrasts with information erasure, first investigated by Landauer, for which a thermodynamic work cost applies for classical and quantum erasure alike. Repercussions on quantum work fluctuation relations and thermodynamic single-shot approaches are also discussed.

Dependence of equilibrium properties of channeled particles on transverse quasi temperature

International Nuclear Information System (INIS)

Kashlev, Yu.A.

2006-01-01

Quasi-equilibrium and kinetic characteristics of channeled particles are investigated by methods of nonequilibrium statistical thermodynamics. The equilibrium equation of the transverse energy of fast particles and the equilibrium equation of the transverse momentum of particles are derived. It is shown that equilibrium equations solution permits to obtain the expression for the transverse quasi-temperature of the channeled particle subsystem. The quasi-equilibrium angular distribution of particles after transmission through a thin monocrystal and the angular distribution at backscattering are studied. The evaluated data of the transverse quasi-temperature are presented for the case of iodine ion channeling through silver crystals [ru

Attraction of nonlocal dark optical solitons

DEFF Research Database (Denmark)

Nikolov, Nikola Ivanov; Neshev, Dragomir; Krolikowski, Wieslaw

2004-01-01

We study the formation and interaction of spatial dark optical solitons in materials with a nonlocal nonlinear response. We show that unlike in local materials, where dark solitons typically repel, the nonlocal nonlinearity leads to a long-range attraction and formation of stable bound states...