The Peter Effect Revisited: Reading Habits and Attitudes of College Students

Science.gov (United States)

Applegate, Anthony J.; Applegate, Mary DeKonty; Mercantini, Martha A.; McGeehan, Catherine M.; Cobb, Jeanne B.; DeBoy, Joanne R.; Modla, Virginia B.; Lewinski, Kimberly E.

2014-01-01

Certainly a primary goal of literacy education is the creation of avid, enthusiastic, and highly motivated readers. However, in this article revisiting the Peter Effect (Applegate & Applegate, 2004), researchers surveyed more than 1,000 college sophomores and found strikingly low levels of enthusiasm for reading. Only 46.6% of surveyed…

Entropy of measurement and erasure: Szilard's membrane model revisited

Science.gov (United States)

Leff, Harvey S.; Rex, Andrew F.

1994-11-01

It is widely believed that measurement is accompanied by irreversible entropy increase. This conventional wisdom is based in part on Szilard's 1929 study of entropy decrease in a thermodynamic system by intelligent intervention (i.e., a Maxwell's demon) and Brillouin's association of entropy with information. Bennett subsequently argued that information acquisition is not necessarily irreversible, but information erasure must be dissipative (Landauer's principle). Inspired by the ensuing debate, we revisit the membrane model introduced by Szilard and find that it can illustrate and clarify (1) reversible measurement, (2) information storage, (3) decoupling of the memory from the system being measured, and (4) entropy increase associated with memory erasure and resetting.

Effective first law of thermodynamics of black holes with two horizons

International Nuclear Information System (INIS)

Yi-Huan, Wei

2009-01-01

For a black hole with two horizons, the effective entropy is assumed to be a linear combination of the two entropies of the outer and inner horizons. In terms of the effective thermodynamic quantities the effective Bekenstein–Smarr formula and the effective first law of thermodynamics are derived. (geophysics, astronomy and astrophysics)

Revisiting Okun's Relationship

NARCIS (Netherlands)

Dixon, R.; Lim, G.C.; van Ours, Jan

2016-01-01

Our paper revisits Okun's relationship between observed unemployment rates and output gaps. We include in the relationship the effect of labour market institutions as well as age and gender effects. Our empirical analysis is based on 20 OECD countries over the period 1985-2013. We find that the

Entropy: From Thermodynamics to Hydrology

Directory of Open Access Journals (Sweden)

Demetris Koutsoyiannis

2014-02-01

Full Text Available Some known results from statistical thermophysics as well as from hydrology are revisited from a different perspective trying: (a to unify the notion of entropy in thermodynamic and statistical/stochastic approaches of complex hydrological systems and (b to show the power of entropy and the principle of maximum entropy in inference, both deductive and inductive. The capability for deductive reasoning is illustrated by deriving the law of phase change transition of water (Clausius-Clapeyron from scratch by maximizing entropy in a formal probabilistic frame. However, such deductive reasoning cannot work in more complex hydrological systems with diverse elements, yet the entropy maximization framework can help in inductive inference, necessarily based on data. Several examples of this type are provided in an attempt to link statistical thermophysics with hydrology with a unifying view of entropy.

Revisiting the quasi-particle model of the quark-gluon plasma

International Nuclear Information System (INIS)

Bannur, V.M.

2007-01-01

The quasi-particle model of the quark-gluon plasma (QGP) is revisited here with a new method, different from earlier studies, one without the need of a temperature dependent bag constant and other effects such as confinement, effective degrees of freedom etc. Our model has only one system dependent parameter and shows a surprisingly good fit to the lattice results for the gluon plasma, and for 2-flavor, 3-flavor and (2+1)-flavor QGP. The basic idea is first to evaluate the energy density ε from the grand partition function of quasi-particle QGP, and then derive all other thermodynamic functions from ε. Quasi-particles are assumed to have a temperature dependent mass equal to the plasma frequency. Energy density, pressure and speed of sound at zero chemical potential are evaluated and compared with the available lattice data. We further extend the model to a finite chemical potential, without any new parameters, to obtain the quark density, quark susceptibility etc., and the model fits very well with the lattice results on 2-flavor QGP. (orig.)

Nonequilibrium thermodynamics of the Kovacs effect

Science.gov (United States)

Bouchbinder, Eran; Langer, J. S.

We present a thermodynamic theory of the Kovacs effect based on the idea that the configurational degrees of freedom of a glass-forming material are driven out of equilibrium with the heat bath by irreversible thermal contraction and expansion. We assume that the slowly varying configurational subsystem, i.e. the part of the system that is described by inherent structures, is characterized by an effective temperature, and contains a volume-related internal variable. We examine mechanisms by which irreversible dynamics of the fast, kinetic-vibrational degrees of freedom can cause the entropy and the effective temperature of the configurational subsystem to increase during sufficiently rapid changes in the bath temperature. We then use this theory to interpret the numerical simulations by Mossa and Sciortino (MS), who observe the Kovacs effect in more detail than is feasible in laboratory experiments. Our analysis highlights two mechanisms for the equilibration of internal variables. In one of these, an internal variable first relaxes toward a state of quasi-equilibrium determined by the effective temperature, and then approaches true thermodynamic equilibrium as the effective temperature slowly relaxes toward the bath temperature. In the other mechanism, an internal variable directly equilibrates with the bath temperature on intermediate timescales, without equilibrating with the effective temperature at any stage. Both mechanisms appear to be essential for understanding the MS results.

Revisiting the Okun relationship

NARCIS (Netherlands)

Dixon, R. (Robert); Lim, G.C.; J.C. van Ours (Jan)

2017-01-01

textabstractOur article revisits the Okun relationship between observed unemployment rates and output gaps. We include in the relationship the effect of labour market institutions as well as age and gender effects. Our empirical analysis is based on 20 OECD countries over the period 1985–2013. We

The Effect of Brand Equity and Perceived Value on Customer Revisit Intention: A Study in Quick-Service Restaurants in Vietnam

Directory of Open Access Journals (Sweden)

Ly Thi Minh Pham

2016-10-01

Full Text Available The purpose of this study is to examine how brand equity, from a customer point of view, influences quick-service restaurant revisit intention. The authors propose a conceptual framework in which three dimensions of brand equity including brand associations combined with brand awareness, perceived quality, brand loyalty and perceived value are related to revisit intention. Data from 570 customers who had visited four quick-service restaurants in Ho Chi Minh City were used for the structural equation modelling (SEM analysis. The results show that strong brand equity is significantly correlated with revisit intention. Additionally, the effect of brand equity on revisit intention was mediated by perceived value, among others. Overall, this study emphasizes the importance of perceived value in lodging in the customer’s mind. Finally, managerial implications are presented based on the study results.

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.

The Faraday effect revisited General theory

CERN Document Server

Cornean, H D; Pedersen, T G

2005-01-01

This paper is the first in a series revisiting the Faraday effect, or more generally, the theory of electronic quantum transport/optical response in bulk media in the presence of a constant magnetic field. The independent electron approximation is assumed. For free electrons, the transverse conductivity can be explicitly computed and coincides with the classical result. In the general case, using magnetic perturbation theory, the conductivity tensor is expanded in powers of the strength of the magnetic field $B$. Then the linear term in $B$ of this expansion is written down in terms of the zero magnetic field Green function and the zero field current operator. In the periodic case, the linear term in $B$ of the conductivity tensor is expressed in terms of zero magnetic field Bloch functions and energies. No derivatives with respect to the quasimomentum appear and thereby all ambiguities are removed, in contrast to earlier work.

Thermodynamic basis for effective energy utilization

Energy Technology Data Exchange (ETDEWEB)

Rogers, J. T.

1977-10-15

A major difficulty in a quantitative assessment of effective energy utilization is that energy is always conserved (the First Law of Thermodynamics). However, the Second Law of Thermodynamics shows that, although energy cannot be destroyed, it can be degraded to a state in which it is of no further use for performing tasks. Thus, in considering the present world energy crisis, we are not really concerned with the conservation of energy but with the conservation of its ability to perform useful tasks. A measure of this ability is thermodynamic availability or, a less familiar term, exergy. In a real sense, we are concerned with an entropy-crisis, rather than an energy crisis. Analysis of energy processes on an exergy basis provides significantly different insights into the processes than those obtained from a conventional energy analysis. For example, process steam generation in an industrial boiler may appear quite efficient on the basis of a conventional analysis, but is shown to have very low effective use of energy when analyzed on an exergy basis. Applications of exergy analysis to other systems, such as large fossil and nuclear power stations, are discussed, and the benefits of extraction combined-purpose plants are demonstrated. Other examples of the application of the exergy concept in the industrial and residential energy sectors are also given. The concept is readily adaptable to economic optimization. Examples are given of economic optimization on an availability basis of an industrial heat exchanger and of a combined-purpose nuclear power and heavy-water production plant. Finally, the utility of the concept of exergy in assessing the energy requirements of an industrial society is discussed.

Zero-mode effects in the lattice thermodynamics of massless bose field

International Nuclear Information System (INIS)

Gorenstein, M.I.; Lipskikh, S.I.; Sorin, A.S.

1985-01-01

The thermodynamics of free massless Bose field on a lattice is discussed. The coefficients characterizing the finite size effects are obtained. The use of these coefficients in the Yang-Mills thermodynamics allows one to make Monte-Carlo calculations, carried out on the different size lattices, self-consistent

Casimir effect and thermodynamics of horizon instabilities

International Nuclear Information System (INIS)

Hartnoll, Sean A.

2004-01-01

We propose a dual thermodynamic description of a classical instability of generalized black hole spacetimes. From a thermodynamic perspective, the instability is due to negative compressibility in regions where the Casimir pressure is large. The argument indicates how the correspondence between thermodynamic and classical instability for horizons may be extended to cases without translational invariance

Effects of thermal fluctuations on the thermodynamics of modified Hayward black hole

Energy Technology Data Exchange (ETDEWEB)

Pourhassan, Behnam [Damghan University, School of Physics, Damghan (Iran, Islamic Republic of); Faizal, Mir [University of Lethbridge, Department of Physics and Astronomy, Lethbridge, AB (Canada); Debnath, Ujjal [Indian Institute of Engineering Science and Technology, Shibpur, Department of Mathematics, Howrah (India)

2016-03-15

In this work, we analyze the effects of thermal fluctuations on the thermodynamics of a modified Hayward black hole. These thermal fluctuations will produce correction terms for various thermodynamical quantities like entropy, pressure, internal energy, and specific heats. We also investigate the effect of these correction terms on the first law of thermodynamics. Finally, we study the phase transition for the modified Hayward black hole. It is demonstrated that the modified Hayward black hole is stable even after the thermal fluctuations are taken into account, as long as the event horizon is larger than a certain critical value. (orig.)

Thermodynamics of proton binding at the alumina-water interface revisited

Energy Technology Data Exchange (ETDEWEB)

Morel, J.P.; Morel-Desrosiers, N. [Laboratoire de Thermodynamique des Solutions et des Polymeres, UMR CNRS 6003, Universite Blaise Pascal, 24 avenue des Landais, 63177 Aubiere cedex (France); Guillaud, A.; Marmier, N. [Laboratoire de Radiochimie, Sciences Analytiques et Environnement, EA 1175, Universite de Nice, 28 avenue de Valrose, 06108 Nice cedex 2 (France)

2005-07-01

Full text of publication follows: Since sorption on natural or synthetic materials can attenuate the migration of the radionuclides, sorption reactions have to be taken into account in repository performance assessment models. In order to check these models at different temperatures, experimental data such as the enthalpies of sorption are thus required. Highly sensitive micro-calorimeters can now be used to determine the heat effects accompanying the sorption of radionuclides on oxide-water interfaces, but enthalpies of sorption cannot be extracted from microcalorimetric data without a clear knowledge of the thermodynamics of protonation and deprotonation of the oxide surface. However, the values reported in the literature show large discrepancies and one must conclude that, amazingly, this fundamental problem of proton binding is not yet resolved. We have thus undertaken to measure by titration micro-calorimetry the heat effects accompanying proton exchange at the alumina-water interface at 25 deg. C. Based on (i) the surface sites speciation provided by a surface complexation model (built from acid-base titrations at 25 deg. C), and (ii) results of the microcalorimetric experiments, calculations have been made to extract the enthalpy variations associated respectively to protonation and deprotonation of the alumina surface. In a second step, the protonation and deprotonation enthalpy values have been used to calculate the alumina surface acidity constants at 60 deg. C via the Van't Hoff equation. Then, a theoretical titration curve at 60 deg. C has been calculated and compared to the experimental alumina surface titration curve. A good agreement between the predicted acid-base titration curve and the experimental one was observed. (authors)

Thermodynamics of proton binding at the alumina-water interface revisited

International Nuclear Information System (INIS)

Morel, J.P.; Morel-Desrosiers, N.; Guillaud, A.; Marmier, N.

2005-01-01

Full text of publication follows: Since sorption on natural or synthetic materials can attenuate the migration of the radionuclides, sorption reactions have to be taken into account in repository performance assessment models. In order to check these models at different temperatures, experimental data such as the enthalpies of sorption are thus required. Highly sensitive micro-calorimeters can now be used to determine the heat effects accompanying the sorption of radionuclides on oxide-water interfaces, but enthalpies of sorption cannot be extracted from microcalorimetric data without a clear knowledge of the thermodynamics of protonation and deprotonation of the oxide surface. However, the values reported in the literature show large discrepancies and one must conclude that, amazingly, this fundamental problem of proton binding is not yet resolved. We have thus undertaken to measure by titration micro-calorimetry the heat effects accompanying proton exchange at the alumina-water interface at 25 deg. C. Based on (i) the surface sites speciation provided by a surface complexation model (built from acid-base titrations at 25 deg. C), and (ii) results of the microcalorimetric experiments, calculations have been made to extract the enthalpy variations associated respectively to protonation and deprotonation of the alumina surface. In a second step, the protonation and deprotonation enthalpy values have been used to calculate the alumina surface acidity constants at 60 deg. C via the Van't Hoff equation. Then, a theoretical titration curve at 60 deg. C has been calculated and compared to the experimental alumina surface titration curve. A good agreement between the predicted acid-base titration curve and the experimental one was observed. (authors)

Understanding the edge effect in wetting: a thermodynamic approach.

Science.gov (United States)

Fang, Guoping; Amirfazli, A

2012-06-26

Edge effect is known to hinder spreading of a sessile drop. However, the underlying thermodynamic mechanisms responsible for the edge effect still is not well-understood. In this study, a free energy model has been developed to investigate the energetic state of drops on a single pillar (from upright frustum to inverted frustum geometries). An analysis of drop free energy levels before and after crossing the edge allows us to understand the thermodynamic origin of the edge effect. In particular, four wetting cases for a drop on a single pillar with different edge angles have been determined by understanding the characteristics of FE plots. A wetting map describing the four wetting cases is given in terms of edge angle and intrinsic contact angle. The results show that the free energy barrier observed near the edge plays an important role in determining the drop states, i.e., (1) stable or metastable drop states at the pillar's edge, and (2) drop collapse by liquid spilling over the edge completely or staying at an intermediate sidewall position of the pillar. This thermodynamic model presents an energetic framework to describe the functioning of the so-called "re-entrant" structures. Results show good consistency with the literature and expand the current understanding of Gibbs' inequality condition.

Revisit the spin-FET: Multiple reflection, inelastic scattering, and lateral size effects

OpenAIRE

Xu, Luting; Li, Xin-Qi; Sun, Qing-feng

2014-01-01

We revisit the spin-injected field effect transistor (spin-FET) by simulating a lattice model based on recursive lattice Green's function approach. In the one-dimensional case and coherent regime, the simulated results reveal noticeable differences from the celebrated Datta-Das model, which motivate thus an improved treatment and lead to analytic and generalized result. The simulation also allows us to address inelastic scattering (using B\\"uttiker's fictitious reservoir approach) and lateral...

Circular revisit orbits design for responsive mission over a single target

Science.gov (United States)

Li, Taibo; Xiang, Junhua; Wang, Zhaokui; Zhang, Yulin

2016-10-01

The responsive orbits play a key role in addressing the mission of Operationally Responsive Space (ORS) because of their capabilities. These capabilities are usually focused on supporting specific targets as opposed to providing global coverage. One subtype of responsive orbits is repeat coverage orbit which is nearly circular in most remote sensing applications. This paper deals with a special kind of repeating ground track orbit, referred to as circular revisit orbit. Different from traditional repeat coverage orbits, a satellite on circular revisit orbit can visit a target site at both the ascending and descending stages in one revisit cycle. This typology of trajectory allows a halving of the traditional revisit time and does a favor to get useful information for responsive applications. However the previous reported numerical methods in some references often cost lots of computation or fail to obtain such orbits. To overcome this difficulty, an analytical method to determine the existence conditions of the solutions to revisit orbits is presented in this paper. To this end, the mathematical model of circular revisit orbit is established under the central gravity model and the J2 perturbation. A constraint function of the circular revisit orbit is introduced, and the monotonicity of that function has been studied. The existent conditions and the number of such orbits are naturally worked out. Taking the launch cost into consideration, optimal design model of circular revisit orbit is established to achieve a best orbit which visits a target twice a day in the morning and in the afternoon respectively for several days. The result shows that it is effective to apply circular revisit orbits in responsive application such as reconnoiter of natural disaster.

Influence of Thermodynamic Effect on Blade Load in a Cavitating Inducer

Directory of Open Access Journals (Sweden)

Kengo Kikuta

2010-01-01

Full Text Available Distribution of the blade load is one of the design parameters for a cavitating inducer. For experimental investigation of the thermodynamic effect on the blade load, we conducted experiments in both cold water and liquid nitrogen. The thermodynamic effect on cavitation notably appears in this cryogenic fluid although it can be disregarded in cold water. In these experiments, the pressure rise along the blade tip was measured. In water, the pressure increased almost linearly from the leading edge to the trailing edge at higher cavitation number. After that, with a decrease of cavitation number, pressure rise occurred only near the trailing edge. On the other hand, in liquid nitrogen, the pressure distribution was similar to that in water at a higher cavitation number, even if the cavitation number as a cavitation parameter decreased. Because the cavitation growth is suppressed by the thermodynamic effect, the distribution of the blade load does not change even at lower cavitation number. By contrast, the pressure distribution in liquid nitrogen has the same tendency as that in water if the cavity length at the blade tip is taken as a cavitation indication. From these results, it was found that the shift of the blade load to the trailing edge depended on the increase of cavity length, and that the distribution of blade load was indicated only by the cavity length independent of the thermodynamic effect.

Effect of irreversible processes on the thermodynamic performance of open-cycle desiccant cooling cycles

International Nuclear Information System (INIS)

La, Dong; Li, Yong; Dai, Yanjun; Ge, Tianshu; Wang, Ruzhu

2013-01-01

Highlights: ► Effects of irreversible processes on the performance of desiccant cooling cycle are identified. ► The exergy destructions involved are classified by the properties of the individual processes. ► Appropriate indexes for thermodynamic evaluation are proposed based on thermodynamic analyses. - Abstract: Thermodynamic analyses of desiccant cooling cycle usually focus on the overall cycle performance in previous study. In this paper, the effects of the individual irreversible processes in each component on thermodynamic performance are analyzed in detail. The objective of this paper is to reveal the elemental features of the individual components, and to show their effects on the thermodynamic performance of the whole cycle in a fundamental way. Appropriate indexes for thermodynamic evaluation are derived based on the first and second law analyses. A generalized model independent of the connection of components is developed. The results indicate that as the effectiveness of the desiccant wheel increases, the cycle performance is increased principally due to the significant reduction in exergy carried out by exhaust air. The corresponding exergy destruction coefficient of the cycle with moderate performance desiccant wheel is decreased greatly to 3.9%, which is more than 50% lower than that of the cycle with low performance desiccant wheel. The effect of the heat source is similar. As the temperature of the heat source increases from 60 °C to 90 °C, the percentage of exergy destruction raised by exhaust air increases sharply from 5.3% to 21.8%. High heat exchanger effectiveness improves the cycle performance mainly by lowering the irreversibility of the heat exchanger, using less regeneration heat and pre-cooling the process air effectively

Quantum Thermodynamics at Strong Coupling: Operator Thermodynamic Functions and Relations

Directory of Open Access Journals (Sweden)

Jen-Tsung Hsiang

2018-05-01

Full Text Available Identifying or constructing a fine-grained microscopic theory that will emerge under specific conditions to a known macroscopic theory is always a formidable challenge. Thermodynamics is perhaps one of the most powerful theories and best understood examples of emergence in physical sciences, which can be used for understanding the characteristics and mechanisms of emergent processes, both in terms of emergent structures and the emergent laws governing the effective or collective variables. Viewing quantum mechanics as an emergent theory requires a better understanding of all this. In this work we aim at a very modest goal, not quantum mechanics as thermodynamics, not yet, but the thermodynamics of quantum systems, or quantum thermodynamics. We will show why even with this minimal demand, there are many new issues which need be addressed and new rules formulated. The thermodynamics of small quantum many-body systems strongly coupled to a heat bath at low temperatures with non-Markovian behavior contains elements, such as quantum coherence, correlations, entanglement and fluctuations, that are not well recognized in traditional thermodynamics, built on large systems vanishingly weakly coupled to a non-dynamical reservoir. For quantum thermodynamics at strong coupling, one needs to reexamine the meaning of the thermodynamic functions, the viability of the thermodynamic relations and the validity of the thermodynamic laws anew. After a brief motivation, this paper starts with a short overview of the quantum formulation based on Gelin & Thoss and Seifert. We then provide a quantum formulation of Jarzynski’s two representations. We show how to construct the operator thermodynamic potentials, the expectation values of which provide the familiar thermodynamic variables. Constructing the operator thermodynamic functions and verifying or modifying their relations is a necessary first step in the establishment of a viable thermodynamics theory for

REVISITING THE SCATTERING GREENHOUSE EFFECT OF CO2 ICE CLOUDS

International Nuclear Information System (INIS)

Kitzmann, D.

2016-01-01

Carbon dioxide ice clouds are thought to play an important role for cold terrestrial planets with thick CO 2 dominated atmospheres. Various previous studies showed that a scattering greenhouse effect by carbon dioxide ice clouds could result in a massive warming of the planetary surface. However, all of these studies only employed simplified two-stream radiative transfer schemes to describe the anisotropic scattering. Using accurate radiative transfer models with a general discrete ordinate method, this study revisits this important effect and shows that the positive climatic impact of carbon dioxide clouds was strongly overestimated in the past. The revised scattering greenhouse effect can have important implications for the early Mars, but also for planets like the early Earth or the position of the outer boundary of the habitable zone

Thermodynamics of silicon nitridation - Effect of hydrogen

Science.gov (United States)

Shaw, N. J.; Zeleznik, F. J.

1982-01-01

Equilibrium compositions for the nitridization of Si were calculated to detect the effectiveness of H2 in removal of the oxide film and in increasing the concentration of SiO and reducing the proportions of O2. Gibbs free energy for the formation of SiN2O was computed above 1685 K, and at lower temperatures. The thermodynamic properties of SiN2O2 were then considered from 1000-3000 K, taking into account the known thermodynamic data for 39 molecular combinations of the Si, Ni, and O. The gases formed were assumed ideal mixtures with pure phase condensed species. The mole fractions were obtained for a system of SiO2 with each Si particle covered with a thin layer of SiO2 before nitridation, and a system in which the nitriding atmosphere had access to the Si. The presence of H2 was determined to enhance the removal of NiO2 in the first system, decrease the partial pressure of O2, increase the partial pressures of SiO, Si, H2O, NH3, and SiH4, while its effects were negligible in the Si system.

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.

Toward understanding the thermodynamics of TALSPEAK process. Medium effects on actinide complexation

International Nuclear Information System (INIS)

Zalupski, Peter R.; Martin, Leigh R.; Nash, Ken; Nakamura, Yoshinobu; Yamamoto, Masahiko

2009-01-01

The ingenious combination of lactate and diethylenetriamine-N,N,N',N(double p rime),N(double p rime)-pentaacetic acid (DTPA) as an aqueous actinide-complexing medium forms the basis of the successful separation of americium and curium from lanthanides known as the TALSPEAK process. While numerous reports in the prior literature have focused on the optimization of this solvent extraction system, considerably less attention has been devoted to the understanding of the basic thermodynamic features of the complex fluids responsible for the separation. The available thermochemical information of both lactate and DTPA protonation and metal complexation reactions are representative of the behavior of these ions under idealized conditions. Our previous studies of medium effects on lactate protonation suggest that significant departures from the speciation predicted based on reported thermodynamic values should be expected in the TALSPEAK aqueous environment. Thermodynamic parameters describing the separation chemistry of this process thus require further examination at conditions significantly removed from conventional ideal systems commonly employed in fundamental solution chemistry. Such thermodynamic characterization is the key to predictive modelling of TALSPEAK. Improved understanding will, in principle, allow process technologists to more efficiently respond to off-normal conditions during large scale process operation. In this report, the results of calorimetric and potentiometric investigations of the effects of aqueous electrolytes on the thermodynamic parameters for lactate protonation and lactate complexation of americium and neodymium will be presented. Studies on the lactate protonation equilibrium will clearly illustrate distinct thermodynamic variations between strong electrolyte aqueous systems and buffered lactate environment.

Revisiting the Survival Mnemonic Effect in Children

Directory of Open Access Journals (Sweden)

Josefa N. S. Pand Eirada

2014-04-01

Full Text Available The survival processing paradigm is designed to explore the adaptive nature of memory functioning. The mnemonic advantage of processing information in fitness-relevant contexts, as has been demonstrated using this paradigm, is now well established, particularly in young adults; this phenomenon is often referred to as the “survival processing effect.” In the current experiment, we revisited the investigation of this effect in children and tested it in a new cultural group, using a procedure that differs from the existing studies with children. A group of 40 Portuguese children rated the relevance of unrelated words to a survival and a new moving scenario. This encoding task was followed by a surprise free-recall task. Akin to what is typically found, survival processing produced better memory performance than the control condition (moving. These data put on firmer ground the idea that a mnemonic tuning to fitness-relevant encodings is present early in development. The theoretical importance of this result to the adaptive memory literature is discussed, as well as potential practical implications of this kind of approach to the study of memory in children.

Anammox revisited: thermodynamic considerations in early studies of the microbial nitrogen cycle.

Science.gov (United States)

Oren, Aharon

2015-08-01

This paper explores the early literature on the thermodynamics of processes in the microbial nitrogen cycle, evaluating parameters of transfer of energy which depends on the initial and final states of the system, the mechanism of the reactions involved and the rates of these reactions. Processes discussed include the anaerobic oxidation of ammonium (the anammox reaction), the use of inorganic nitrogen compounds as electron donors for anoxygenic photosynthesis, and the mechanism and bioenergetics of biological nitrogen fixation. © FEMS 2015. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

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

Dissipation effects in mechanics and thermodynamics

Science.gov (United States)

Güémez, J.; Fiolhais, M.

2016-07-01

With the discussion of three examples, we aim at clarifying the concept of energy transfer associated with dissipation in mechanics and in thermodynamics. The dissipation effects due to dissipative forces, such as the friction force between solids or the drag force in motions in fluids, lead to an internal energy increase of the system and/or to heat transfer to the surroundings. This heat flow is consistent with the second law, which states that the entropy of the universe should increase when those forces are present because of the irreversibility always associated with their actions. As far as mechanics is concerned, the effects of the dissipative forces are included in Newton’s equations as impulses and pseudo-works.

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.

REVISITING THE SCATTERING GREENHOUSE EFFECT OF CO{sub 2} ICE CLOUDS

Energy Technology Data Exchange (ETDEWEB)

Kitzmann, D., E-mail: daniel.kitzmann@csh.unibe.ch [Center for Space and Habitability, University of Bern, Sidlerstr. 5, 3012 Bern (Switzerland)

2016-02-01

Carbon dioxide ice clouds are thought to play an important role for cold terrestrial planets with thick CO{sub 2} dominated atmospheres. Various previous studies showed that a scattering greenhouse effect by carbon dioxide ice clouds could result in a massive warming of the planetary surface. However, all of these studies only employed simplified two-stream radiative transfer schemes to describe the anisotropic scattering. Using accurate radiative transfer models with a general discrete ordinate method, this study revisits this important effect and shows that the positive climatic impact of carbon dioxide clouds was strongly overestimated in the past. The revised scattering greenhouse effect can have important implications for the early Mars, but also for planets like the early Earth or the position of the outer boundary of the habitable zone.

eWOM, Revisit Intention, Destination Trust and Gender

OpenAIRE

Abubakar, Abubakar Mohammed; Ilkan, Mustafa; Al-Tal, Raad Meshall; Eluwole, Kayode

2017-01-01

This article investigates the impact of eWOM on intention to revisit and destination trust, and the moderating role of gender in medical tourism industry. Result from structural equation modeling (n=240) suggests the following: (1) that eWOM influences intention to revisit and destination trust; (2) that destination trust influences intention to revisit; (3) that the impact of eWOM on intention to revisit is about 1.3 times higher in men; (4) that the impact of eWOM on destination trust is ab...

THERMODYNAMIC MODELING AND FIRST-PRINCIPLES CALCULATIONS

Energy Technology Data Exchange (ETDEWEB)

Turchi, P; Abrikosov, I; Burton, B; Fries, S; Grimvall, G; Kaufman, L; Korzhavyi, P; Manga, R; Ohno, M; Pisch, A; Scott, A; Zhang, W

2005-12-15

The increased application of quantum mechanical-based methodologies to the study of alloy stability has required a re-assessment of the field. The focus is mainly on inorganic materials in the solid state. In a first part, after a brief overview of the so-called ab initio methods with their approximations, constraints, and limitations, recommendations are made for a good usage of first-principles codes with a set of qualifiers. Examples are given to illustrate the power and the limitations of ab initio codes. However, despite the ''success'' of these methodologies, thermodynamics of complex multi-component alloys, as used in engineering applications, requires a more versatile approach presently afforded within CALPHAD. Hence, in a second part, the links that presently exist between ab initio methodologies, experiments, and CALPHAD approach are examined with illustrations. Finally, the issues of dynamical instability and of the role of lattice vibrations that still constitute the subject of ample discussions within the CALPHAD community are revisited in the light of the current knowledge with a set of recommendations.

Thermodynamics of solvation and solvophobic effect in formamide

International Nuclear Information System (INIS)

Sedov, I.A.; Stolov, M.A.; Solomonov, B.N.

2013-01-01

Highlights: • Enthalpies of solution of apolar organic compounds in formamide were measured. • Gibbs free energies of solution were experimentally determined. • Influence of the solvophobic effect on solvation thermodynamics was studied. • Thermodynamic features of solutions in formamide resemble those of aqueous solutions. -- Abstract: Using semi-adiabatic calorimetry, we measured the enthalpies of solution for various low-polar compounds including alkanes, aromatic hydrocarbons and their halogenated derivatives in formamide at temperature of 298 K. For the same compounds, the values of limiting activity coefficients in formamide were determined using GC headspace analysis at 298 K, and Gibbs free energies of solution and solvation were calculated. Based on these data and the available literature values of the Gibbs free energy of solvation in formamide for a number of other low-polar solutes, a study of the solvophobic effect in this solvent is performed, and its resemblance to the hydrophobic effect in aqueous solutions is demonstrated. It is shown that the contribution of the solvophobic effect into the solvation Gibbs free energy in formamide is much higher than that in aliphatic alcohols, but lower than that in water. Like in water, the magnitude of this contribution for different solutes linearly increases with the solute molecular volume. Solvophobic effect also significantly affects the enthalpies of dissolution in formamide, causing them to be more negative in the case of alkanes and more positive in the case of arenes

Theoretical Analysis of Thermodynamic Effect of Cavitation in Cryogenic Inducer Using Singularity Method

Directory of Open Access Journals (Sweden)

S. Watanabe

2008-01-01

Full Text Available Vapor production in cavitation extracts the latent heat of evaporation from the surrounding liquid, which decreases the local temperature, and hence the local vapor pressure in the vicinity of cavity. This is called thermodynamic/thermal effect of cavitation and leads to the good suction performance of cryogenic turbopumps. We have already established the simple analysis of partially cavitating flow with the thermodynamic effect, where the latent heat extraction and the heat transfer between the cavity and the ambient fluid are taken into account. In the present study, we carry out the analysis for cavitating inducer and compare it with the experimental data available from literatures using Freon R-114 and liquid nitrogen. It is found that the present analysis can simulate fairly well the thermodynamic effect of cavitation and some modification of the analysis considering the real fluid properties, that is, saturation characteristic, is favorable for more qualitative agreement.

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.

Thermodynamics on the micellization of various pure and mixed surfactants: Effects of head- and tail-groups

International Nuclear Information System (INIS)

Lee, Nam-Min; Lee, Byung-Hwan

2016-01-01

Highlights: • The values of critical micelle concentration of various pure and mixed surfactants are measured. • Thermodynamic parameters’ values are calculated to analyze the effects of head- and tail-groups on the micellization. • All the thermodynamic parameters’ values are decreasing with the increase of temperature. • The thermodynamic parameters’ values are depending severely on the chain length of alkyl group. - Abstract: The values of critical micelle concentration (CMC) for the micellization of various pure and mixed surfactants are determined by the UV–Vis spectrophotometric method. And the effects of temperature on the CMC values have been measured and thermodynamic parameters’ values are calculated to analyse the effects of head- and tail-groups on the micellization of surfactant molecules. The results show that the values of ΔG"o are negative and those of ΔS"o are positive for the micellization of all the surfactants within the measured temperature range. But the values of ΔH"o are positive or negative, depending on the kinds of surfactants. All these thermodynamic parameters’ values are decreasing together with the increase of temperature for all the surfactants. And these thermodynamic parameters’ values are depending severely on the chain length of alkyl group also as much as on the head-groups of surfactant molecules.

Constructal theory through thermodynamics of irreversible processes framework

International Nuclear Information System (INIS)

Tescari, S.; Mazet, N.; Neveu, P.

2011-01-01

Highlights: → Point to area flow problem is solved through Thermodynamics of irreversible processes. → A new optimisation criterion is defined: the exergy or entropy impedance. → Optimisation is performed following two different routes, constructal or global. → Global optimisation is more efficient than constructal optimisation. → Global optimisation enhances the domain of construct benefits. - Abstract: Point to volume flow problem is revisited on a thermodynamics of irreversible processes (TIP) basis. The first step consists in evaluating the local entropy production of the system, and deducing from this expression the phenomenological laws. Then, the total entropy production can be simply evaluated. It is demonstrated that total entropy production can be written in a remarkable form: the product of the so-called entropy impedance with the square of the heat flux. As the heat flux is given, optimisation consists in minimising the entropy impedance. It is also shown that minimising entropy impedance minimises the maximum temperature difference. Applied to the elemental volume, this optimisation process leads to a shape factor close to the one already published. For the first construction, the equivalent system is defined as stated by Prigogine: when subjected to the same constraints, two systems are thermodynamically equivalent if their entropy production is equal. Two optimisation routes are then investigated: a global optimisation where all scales are taken into account and the constructal optimisation where the system is optimised scale by scale. In this second case, results are close to Ghodossi's work. When global optimisation is performed, it is demonstrated that conductive paths have to be spread uniformly in the active material (i.e. the number of elemental volumes must go to infinite). Comparing the two routes, global optimisation leads to better performance than constructal optimisation. Moreover, global optimisation enlarges the domain of

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.

On the formal equivalence of the TAP and thermodynamic methods in the SK model

International Nuclear Information System (INIS)

Cavagna, Andrea; Giardina, Irene; Parisi, Giorgio; Mezard, Marc

2003-01-01

We revisit two classic Thouless-Anderson-Palmer (TAP) studies of the Sherrington-Kirkpatrick model (Bray A J and Moore M A 1980 J. Phys. C: Solid State Phys. 13 L469; De Dominicis C and Young A P 1983 J. Phys. A: Math. Gen. 16 2063). By using the Becchi-Rouet-Stora-Tyutin (BRST) supersymmetry, we prove the general equivalence of TAP and replica partition functions, and show that the annealed calculation of the TAP complexity is formally identical to the quenched thermodynamic calculation of the free energy at one step level of replica symmetry breaking. The complexity we obtain by means of the BRST symmetry turns out to be considerably smaller than the previous non-symmetric value

The Effects of Korean Medical Service Quality and Satisfaction on Revisit Intention of the United Arab Emirates Government Sponsored Patients.

Science.gov (United States)

Lee, Seoyoung; Kim, Eun-Kyung

2017-06-01

The purpose of this study was to investigate medical service quality, satisfaction and to examine factors influencing hospital revisit intention of the United Arab Emirates government sponsored patients in Korea. A total of 152 UAE government sponsored patients who visited Korean hospitals participated in the questionnaire survey from August to November 2016. Stepwise multiple regression was used to identify the factors that affected the revisit intention of the participants. The mean scores of medical service quality, satisfaction, and revisit intention were 5.72 out of 7, 88.88 out of 100, 4.59 out of 5, respectively. Medical service quality and satisfaction, Medical service quality and revisit intention, satisfaction and revisit intention were positively correlated. Medical service of physician, visiting routes and responsiveness of medical service quality explained about 23.8% of revisit intention. There are needs for physicians to communicate with patients while ensuring sufficient consultation time based on excellent medical skills and nurses to respond immediately for the patients' needs through an empathic encounter in order to improve medical service quality and patient satisfaction so that to increase the revisit intention of the United Arab Emirates government sponsored patients. Further, it is necessary for the hospitals to have support plans for providing country specialized services in consideration of the UAE culture to ensure that physicians' and nurses' competencies are not undervalued by non-medical service elements such as interpreters and meals. Copyright © 2017. Published by Elsevier B.V.

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.

The Effect of Learning Based on Technology Model and Assessment Technique toward Thermodynamic Learning Achievement

Science.gov (United States)

Makahinda, T.

2018-02-01

The purpose of this research is to find out the effect of learning model based on technology and assessment technique toward thermodynamic achievement by controlling students intelligence. This research is an experimental research. The sample is taken through cluster random sampling with the total respondent of 80 students. The result of the research shows that the result of learning of thermodynamics of students who taught the learning model of environmental utilization is higher than the learning result of student thermodynamics taught by simulation animation, after controlling student intelligence. There is influence of student interaction, and the subject between models of technology-based learning with assessment technique to student learning result of Thermodynamics, after controlling student intelligence. Based on the finding in the lecture then should be used a thermodynamic model of the learning environment with the use of project assessment technique.

Thermodynamic effect of elastic stress on grain boundary segregation of phosphorus in a low alloy steel

International Nuclear Information System (INIS)

Zheng, Lei; Lejček, Pavel; Song, Shenhua; Schmitz, Guido; Meng, Ye

2015-01-01

Grain boundary (GB) segregation of P in 2.25Cr1Mo steel induced by elastic stress shows that the P equilibrium concentration, after reaching the non-equilibrium concentration maximum at critical time, returns to its initial thermal equilibrium level. This finding confirms the interesting phenomenon that the effect of elastic stress on GB segregation of P is significant in kinetics while slight in thermodynamics. Through extending the “pressure” in classical theory of chemical potential to the “elastic stress”, the thermodynamic effect of elastic stress on GB segregation is studied, and the relationship between elastic stress and segregation Gibbs energy is formulated. The formulas reveal that the difference in the segregation Gibbs energy between the elastically-stressed and non-stressed states depends on the excess molar volume of GB segregation and the magnitude of elastic stress. Model calculations in segregation Gibbs energy confirm that the effect of elastic stress on the thermodynamics of equilibrium GB segregation is slight, and the theoretical analyses considerably agree with the experimental results. The confirmation indicates that the nature of the thermodynamic effect is well captured. - Highlights: • GB segregation of P after stress aging returns to its initial thermal equilibrium level. • Relationship between elastic stress and segregation energy is formulated. • Thermodynamic effect relies on excess molar volume and magnitude of elastic stress. • Effect of elastic stress on Gibbs energy of GB segregation is estimated to be slight. • Complete theory of the effect of elastic stress on grain boundary segregation is setup

Thermodynamic isotope effects of D2 and T2 reaction with uranium

International Nuclear Information System (INIS)

Huang Gang; Long Xinggui; Liang Jianhua; Yang Benfu; Liu Wenke

2010-01-01

The p-c-T curves of deuterium and tritium absorption by uranium and p-t curves of desorption were measured. The balance pressure of absorption and desorption on different temperatures were got and then the thermodynamic parameters were determined according to the Van't Hoff equation. It shows that the balance pressure of deuterium absorption is lower than that of tritium absorption on the same temperature and atom ratio. It has the same phenomena for desorption but there are obvious hysteresis effect for reversible process of absorption and desorption. There are a little thermodynamic isotope effects when deuterium and tritium absorption and desorption by uranium estimating from enthalpy and entropy values. (authors)

Thermodynamically consistent model calibration in chemical kinetics

Directory of Open Access Journals (Sweden)

Goutsias John

2011-05-01

Full Text Available Abstract Background The dynamics of biochemical reaction systems are constrained by the fundamental laws of thermodynamics, which impose well-defined relationships among the reaction rate constants characterizing these systems. Constructing biochemical reaction systems from experimental observations often leads to parameter values that do not satisfy the necessary thermodynamic constraints. This can result in models that are not physically realizable and may lead to inaccurate, or even erroneous, descriptions of cellular function. Results We introduce a thermodynamically consistent model calibration (TCMC method that can be effectively used to provide thermodynamically feasible values for the parameters of an open biochemical reaction system. The proposed method formulates the model calibration problem as a constrained optimization problem that takes thermodynamic constraints (and, if desired, additional non-thermodynamic constraints into account. By calculating thermodynamically feasible values for the kinetic parameters of a well-known model of the EGF/ERK signaling cascade, we demonstrate the qualitative and quantitative significance of imposing thermodynamic constraints on these parameters and the effectiveness of our method for accomplishing this important task. MATLAB software, using the Systems Biology Toolbox 2.1, can be accessed from http://www.cis.jhu.edu/~goutsias/CSS lab/software.html. An SBML file containing the thermodynamically feasible EGF/ERK signaling cascade model can be found in the BioModels database. Conclusions TCMC is a simple and flexible method for obtaining physically plausible values for the kinetic parameters of open biochemical reaction systems. It can be effectively used to recalculate a thermodynamically consistent set of parameter values for existing thermodynamically infeasible biochemical reaction models of cellular function as well as to estimate thermodynamically feasible values for the parameters of new

Fluorination effects on the thermodynamic, thermophysical and surface properties of ionic liquids

International Nuclear Information System (INIS)

Vieira, N.S.M.; Luís, A.; Reis, P.M.; Carvalho, P.J.; Lopes-da-Silva, J.A.; Esperança, J.M.S.S.; Araújo, J.M.M.; Rebelo, L.P.N.; Freire, M.G.; Pereiro, A.B.

2016-01-01

Highlights: • Surface tension of fluorinated ionic liquids. • Thermophysical properties of fluorinated ionic liquids. • Thermal properties and thermodynamic functions. - Abstract: This paper reports the thermal, thermodynamic, thermophysical and surface properties of eight ionic liquids with fluorinated alkyl side chain lengths equal or greater than four carbon atoms. Melting and decomposition temperatures were determined together with experimental densities, surface tensions, refractive indices, dynamic viscosities and ionic conductivities in a temperature interval ranging from (293.15 to 353.15) K. The surface properties of these fluorinated ionic liquids were discussed and several thermodynamic functions, as well as critical temperatures, were estimated. Coefficients of isobaric thermal expansion, molecular volumes and free volume effects were calculated from experimental values of density and refractive index and compared with previous data. Finally, Walden plots were used to evaluate the ionicity of the investigated ionic liquids.

Thermodynamics

CERN Document Server

Fermi, Enrico

1956-01-01

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

Thermodynamic estimation: Ionic materials

International Nuclear Information System (INIS)

Glasser, Leslie

2013-01-01

Thermodynamics establishes equilibrium relations among thermodynamic parameters (“properties”) and delineates the effects of variation of the thermodynamic functions (typically temperature and pressure) on those parameters. However, classical thermodynamics does not provide values for the necessary thermodynamic properties, which must be established by extra-thermodynamic means such as experiment, theoretical calculation, or empirical estimation. While many values may be found in the numerous collected tables in the literature, these are necessarily incomplete because either the experimental measurements have not been made or the materials may be hypothetical. The current paper presents a number of simple and relible estimation methods for thermodynamic properties, principally for ionic materials. The results may also be used as a check for obvious errors in published values. The estimation methods described are typically based on addition of properties of individual ions, or sums of properties of neutral ion groups (such as “double” salts, in the Simple Salt Approximation), or based upon correlations such as with formula unit volumes (Volume-Based Thermodynamics). - Graphical abstract: Thermodynamic properties of ionic materials may be readily estimated by summation of the properties of individual ions, by summation of the properties of ‘double salts’, and by correlation with formula volume. Such estimates may fill gaps in the literature, and may also be used as checks of published values. This simplicity arises from exploitation of the fact that repulsive energy terms are of short range and very similar across materials, while coulombic interactions provide a very large component of the attractive energy in ionic systems. Display Omitted - Highlights: • Estimation methods for thermodynamic properties of ionic materials are introduced. • Methods are based on summation of single ions, multiple salts, and correlations. • Heat capacity, entropy

Surface dependency in thermodynamics of ideal gases

International Nuclear Information System (INIS)

Sisman, Altug

2004-01-01

The Casimir-like size effect rises in ideal gases confined in a finite domain due to the wave character of atoms. By considering this effect, thermodynamic properties of an ideal gas confined in spherical and cylindrical geometries are derived and compared with those in rectangular geometry. It is seen that an ideal gas exhibits an unavoidable quantum surface free energy and surface over volume ratio becomes a control variable on thermodynamic state functions in microscale. Thermodynamics turns into non-extensive thermodynamics and geometry difference becomes a driving force since the surface over volume ratio depends on the geometry

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

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.

MicroBlack Holes Thermodynamics in the Presence of Quantum Gravity Effects

Directory of Open Access Journals (Sweden)

H. Soltani

2014-01-01

Full Text Available Black hole thermodynamics is corrected in the presence of quantum gravity effects. Some phenomenological aspects of quantum gravity proposal can be addressed through generalized uncertainty principle (GUP which provides a perturbation framework to perform required modifications of the black hole quantities. In this paper, we consider the effects of both a minimal measurable length and a maximal momentum on the thermodynamics of TeV-scale black holes. We then extend our study to the case that there are all natural cutoffs as minimal length, minimal momentum, and maximal momentum simultaneously. We also generalize our study to the model universes with large extra dimensions (LED. In this framework existence of black holes remnants as a possible candidate for dark matter is discussed. We study probability of black hole production in the Large Hadronic Collider (LHC and we show this rate decreasing for sufficiently large values of the GUP parameter.

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

Thermodynamic Analysis of TEG-TEC Device Including Influence of Thomson Effect

Science.gov (United States)

Feng, Yuanli; Chen, Lingen; Meng, Fankai; Sun, Fengrui

2018-01-01

A thermodynamic model of a thermoelectric cooler driven by thermoelectric generator (TEG-TEC) device is established considering Thomson effect. The performance is analyzed and optimized using numerical calculation based on non-equilibrium thermodynamic theory. The influence characteristics of Thomson effect on the optimal performance and variable selection are investigated by comparing the condition with and without Thomson effect. The results show that Thomson effect degrades the performance of TEG-TEC device, it decreases the cooling capacity by 27 %, decreases the coefficient of performance (COP) by 19 %, decreases the maximum cooling temperature difference by 11 % when the ratio of thermoelectric elements number is 0.6, the cold junction temperature of thermoelectric cooler (TEC) is 285 K and the hot junction temperature of thermoelectric generator (TEG) is 450 K. Thomson effect degrades the optimal performance of TEG-TEC device, it decreases the maximum cooling capacity by 28 % and decreases the maximum COP by 28 % under the same junction temperatures. Thomson effect narrows the optimal variable range and optimal working range. In the design of the devices, limited-number thermoelectric elements should be more allocated appropriately to TEG when consider Thomson effect. The results may provide some guidelines for the design of TEG-TEC devices.

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.

Experimental thermodynamics experimental thermodynamics of non-reacting fluids

CERN Document Server

Neindre, B Le

2013-01-01

Experimental Thermodynamics, Volume II: Experimental Thermodynamics of Non-reacting Fluids focuses on experimental methods and procedures in the study of thermophysical properties of fluids. The selection first offers information on methods used in measuring thermodynamic properties and tests, including physical quantities and symbols for physical quantities, thermodynamic definitions, and definition of activities and related quantities. The text also describes reference materials for thermometric fixed points, temperature measurement under pressures, and pressure measurements. The publicatio

Lakatos Revisited.

Science.gov (United States)

Court, Deborah

1999-01-01

Revisits and reviews Imre Lakatos' ideas on "Falsification and the Methodology of Scientific Research Programmes." Suggests that Lakatos' framework offers an insightful way of looking at the relationship between theory and research that is relevant not only for evaluating research programs in theoretical physics, but in the social…

Surface thermodynamics

International Nuclear Information System (INIS)

Garcia-Moliner, F.

1975-01-01

Basic thermodynamics of a system consisting of two bulk phases with an interface. Solid surfaces: general. Discussion of experimental data on surface tension and related concepts. Adsorption thermodynamics in the Gibbsian scheme. Adsorption on inert solid adsorbents. Systems with electrical charges: chemistry and thermodynamics of imperfect crystals. Thermodynamics of charged surfaces. Simple models of charge transfer chemisorption. Adsorption heat and related concepts. Surface phase transitions

Oxidative phosphorylation revisited

DEFF Research Database (Denmark)

Nath, Sunil; Villadsen, John

2015-01-01

The fundamentals of oxidative phosphorylation and photophosphorylation are revisited. New experimental data on the involvement of succinate and malate anions respectively in oxidative phosphorylation and photophosphorylation are presented. These new data offer a novel molecular mechanistic...

Black Hole Thermodynamics in an Undergraduate Thermodynamics Course.

Science.gov (United States)

Parker, Barry R.; McLeod, Robert J.

1980-01-01

An analogy, which has been drawn between black hole physics and thermodynamics, is mathematically broadened in this article. Equations similar to the standard partial differential relations of thermodynamics are found for black holes. The results can be used to supplement an undergraduate thermodynamics course. (Author/SK)

Thermodynamic tables to accompany Modern engineering thermodynamics

CERN Document Server

Balmer, Robert T

2011-01-01

This booklet is provided at no extra charge with new copies of Balmer's Modern Engineering Thermodynamics. It contains two appendices. Appendix C contains 40 thermodynamic tables, and Appendix D consists of 6 thermodynamic charts. These charts and tables are provided in a separate booklet to give instructors the flexibility of allowing students to bring the tables into exams. The booklet may be purchased separately if needed.

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.

Microbial diversity arising from thermodynamic constraints

Science.gov (United States)

Großkopf, Tobias; Soyer, Orkun S

2016-01-01

The microbial world displays an immense taxonomic diversity. This diversity is manifested also in a multitude of metabolic pathways that can utilise different substrates and produce different products. Here, we propose that these observations directly link to thermodynamic constraints that inherently arise from the metabolic basis of microbial growth. We show that thermodynamic constraints can enable coexistence of microbes that utilise the same substrate but produce different end products. We find that this thermodynamics-driven emergence of diversity is most relevant for metabolic conversions with low free energy as seen for example under anaerobic conditions, where population dynamics is governed by thermodynamic effects rather than kinetic factors such as substrate uptake rates. These findings provide a general understanding of the microbial diversity based on the first principles of thermodynamics. As such they provide a thermodynamics-based framework for explaining the observed microbial diversity in different natural and synthetic environments. PMID:27035705

Microbial diversity arising from thermodynamic constraints.

Science.gov (United States)

Großkopf, Tobias; Soyer, Orkun S

2016-11-01

The microbial world displays an immense taxonomic diversity. This diversity is manifested also in a multitude of metabolic pathways that can utilise different substrates and produce different products. Here, we propose that these observations directly link to thermodynamic constraints that inherently arise from the metabolic basis of microbial growth. We show that thermodynamic constraints can enable coexistence of microbes that utilise the same substrate but produce different end products. We find that this thermodynamics-driven emergence of diversity is most relevant for metabolic conversions with low free energy as seen for example under anaerobic conditions, where population dynamics is governed by thermodynamic effects rather than kinetic factors such as substrate uptake rates. These findings provide a general understanding of the microbial diversity based on the first principles of thermodynamics. As such they provide a thermodynamics-based framework for explaining the observed microbial diversity in different natural and synthetic environments.

Extended thermodynamics

CERN Document Server

Müller, Ingo

1993-01-01

Physicists firmly believe that the differential equations of nature should be hyperbolic so as to exclude action at a distance; yet the equations of irreversible thermodynamics - those of Navier-Stokes and Fourier - are parabolic. This incompatibility between the expectation of physicists and the classical laws of thermodynamics has prompted the formulation of extended thermodynamics. After describing the motifs and early evolution of this new branch of irreversible thermodynamics, the authors apply the theory to mon-atomic gases, mixtures of gases, relativistic gases, and "gases" of phonons and photons. The discussion brings into perspective the various phenomena called second sound, such as heat propagation, propagation of shear stress and concentration, and the second sound in liquid helium. The formal mathematical structure of extended thermodynamics is exposed and the theory is shown to be fully compatible with the kinetic theory of gases. The study closes with the testing of extended thermodynamics thro...

Local thermodynamic mapping for effective liquid density-functional theory

Science.gov (United States)

Kyrlidis, Agathagelos; Brown, Robert A.

1992-01-01

The structural-mapping approximation introduced by Lutsko and Baus (1990) in the generalized effective-liquid approximation is extended to include a local thermodynamic mapping based on a spatially dependent effective density for approximating the solid phase in terms of the uniform liquid. This latter approximation, called the local generalized effective-liquid approximation (LGELA) yields excellent predictions for the free energy of hard-sphere solids and for the conditions of coexistence of a hard-sphere fcc solid with a liquid. Moreover, the predicted free energy remains single valued for calculations with more loosely packed crystalline structures, such as the diamond lattice. The spatial dependence of the weighted density makes the LGELA useful in the study of inhomogeneous solids.

Effect of Urea on the Thermodynamics of Hexadecyltrimethylammonium Bromide Micelle Formation in Aqueous Solutions

Science.gov (United States)

Velikov, A. A.

2018-02-01

The effect of urea on the thermodynamics of hexadecyltrimethylammonium bromide (CTAB) micelle formation in aqueous urea solutions was studied by isothermal titration microcalorimetry. The thermodynamic functions of Δ H, Δ G, and Δ S of CTAB micelle formation were calculated. The critical micelle concentrations (CMC) were determined. The addition of urea to the solution decreased the micelle formation entropy. This was attributed to the "lowering" of the structural temperature of the solution, which led to an increased number of hydrogen bonds and structure formation of water.

Thermodynamic description of Hofmeister effects on the LCST of thermosensitive polymers.

Science.gov (United States)

Heyda, Jan; Dzubiella, Joachim

2014-09-18

Cosolvent effects on protein or polymer collapse transitions are typically discussed in terms of a two-state free energy change that is strictly linear in cosolute concentration. Here we investigate in detail the nonlinear thermodynamic changes of the collapse transition occurring at the lower critical solution temperature (LCST) of the role-model polymer poly(N-isopropylacrylamide) [PNIPAM] induced by Hofmeister salts. First, we establish an equation, based on the second-order expansion of the two-state free energy in concentration and temperature space, which excellently fits the experimental LCST curves and enables us to directly extract the corresponding thermodynamic parameters. Linear free energy changes, grounded on generic excluded-volume mechanisms, are indeed found for strongly hydrated kosmotropes. In contrast, for weakly hydrated chaotropes, we find significant nonlinear changes related to higher order thermodynamic derivatives of the preferential interaction parameter between salts and polymer. The observed non-monotonic behavior of the LCST can then be understood from a not yet recognized sign change of the preferential interaction parameter with salt concentration. Finally, we find that solute partitioning models can possibly predict the linear free energy changes for the kosmotropes, but fail for chaotropes. Our findings cast strong doubt on their general applicability to protein unfolding transitions induced by chaotropes.

Pyroelectric Energy Harvesting: With Thermodynamic-Based Cycles

OpenAIRE

Saber Mohammadi; Akram Khodayari

2012-01-01

This work deals with energy harvesting from temperature variations using ferroelectric materials as a microgenerator. The previous researches show that direct pyroelectric energy harvesting is not effective, whereas thermodynamic-based cycles give higher energy. Also, at different temperatures some thermodynamic cycles exhibit different behaviours. In this paper pyroelectric energy harvesting using Lenoir and Ericsson thermodynamic cycles has been studied numerically and the two cycles were c...

Thermodynamic study of multi-effect thermal vapour-compression desalination systems

International Nuclear Information System (INIS)

Samaké, Oumar; Galanis, Nicolas; Sorin, Mikhail

2014-01-01

The parametric analysis of a multi-effect-evaporation (MEE) desalination system combined with a thermal-vapour-compression (TVC) process activated by a gaseous stream of specified flowrate and temperature was performed based on the principles of classical (1st and 2nd laws) and finite-size thermodynamics. The MEE subsystem was treated as a black box and therefore the results are valid for any combination of physical characteristics and internal operational conditions of this subsystem. They show the effects of four design variables (the motive fluid pressure and the compression ratio of the ejector, the condenser temperature pinch and the ratio of rejected to supplied seawater) on significant operating quantities and performance indicators such as: energy supplied by the heat source; motive fluid flowrate; flowrates of the supplied seawater and produced potable water; specific heat consumption; thermal conductance of the vapour generator and the condenser; exergy destruction by the MEE, the ejector and the vapour generator. Based on the obtained results recommendations are formulated for the optimal choice of values for the four design variables. - Highlights: • Model of a MEE-TVC desalination system independent of MEE characteristics. • Parametric study based on classical (1st and 2nd law) and finite-size thermodynamics. • Effect of 4 design parameters on operating conditions and performance indicators. • Recommended values for the design parameters

Thermodynamics for engineers

CERN Document Server

Wong, Kaufui Vincent

2011-01-01

Praise for the First Edition from Students: "It is a great thermodynamics text…I loved it!-Mathew Walters "The book is comprehensive and easy to understand. I love the real world examples and problems, they make you feel like you are learning something very practical."-Craig Paxton"I would recommend the book to friends."-Faure J. Malo-Molina"The clear diction, as well as informative illustrations and diagrams, help convey the material clearly to the reader."-Paul C. Start"An inspiring and effective tool for any aspiring scientist or engineer. Definitely the best book on Classical Thermodynamics out."-Seth Marini.

Toward thermodynamic consistency of quasiparticle picture

International Nuclear Information System (INIS)

Biro, T.S.; Toneev, V.D.; Shanenko, A.A.

2003-01-01

The purpose of the present article is to call attention to some realistic quasiparticle-based description of quark/gluon matter and its consistent implementation in thermodynamics. A simple and transparent representation of the thermodynamic consistency conditions is given. This representation allows one to review critically and systemize available phenomenological approaches to the deconfinement problem with respect to their thermodynamic consistency. Particular attention is paid to the development of a method for treating the string screening in the dense matter of unbound color charges. The proposed method yields an integrable effective pair potential that can be incorporated into the mean-field picture. The results of its application are in reasonable agreement with lattice data on the QCD thermodynamics

Optimization of powered Stirling heat engine with finite speed thermodynamics

International Nuclear Information System (INIS)

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

2016-01-01

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

Thermodynamic laws apply to brain function.

Science.gov (United States)

Salerian, Alen J

2010-02-01

Thermodynamic laws and complex system dynamics govern brain function. Thus, any change in brain homeostasis by an alteration in brain temperature, neurotransmission or content may cause region-specific brain dysfunction. This is the premise for the Salerian Theory of Brain built upon a new paradigm for neuropsychiatric disorders: the governing influence of neuroanatomy, neurophysiology, thermodynamic laws. The principles of region-specific brain function thermodynamics are reviewed. The clinical and supporting evidence including the paradoxical effects of various agents that alter brain homeostasis is demonstrated.

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

Many-Body Effects on the Thermodynamics of Fluids, Mixtures, and Nanoconfined Fluids.

Science.gov (United States)

Desgranges, Caroline; Delhommelle, Jerome

2015-11-10

Using expanded Wang-Landau simulations, we show that taking into account the many-body interactions results in sharp changes in the grand-canonical partition functions of single-component systems, binary mixtures, and nanoconfined fluids. The many-body contribution, modeled with a 3-body Axilrod-Teller-Muto term, results in shifts toward higher chemical potentials of the phase transitions from low-density phases to high-density phases and accounts for deviations of more than, e.g., 20% of the value of the partition function for a single-component liquid. Using the statistical mechanics formalism, we analyze how this contribution has a strong impact on some properties (e.g., pressure, coexisting densities, and enthalpy) and a moderate impact on others (e.g., Gibbs or Helmholtz free energies). We also characterize the effect of the 3-body terms on adsorption isotherms and adsorption thermodynamic properties, thereby providing a full picture of the effect of the 3-body contribution on the thermodynamics of nanoconfined fluids.

Quantum and thermodynamic aspects of Black Holes

International Nuclear Information System (INIS)

Sande e Lemos, J.P. de; Videira, A.L.L.

1983-01-01

The main results originating from the attempts of trying to incorporate quantum and thermodynamic properties and concepts to the gravitational system black hole, essentially the Hawking effect and the four laws of thermodynamics are reviewed. (Author) [pt

Numerical investigations on cavitating flows with thermodynamic effects in a diffuser-type centrifugal pump

International Nuclear Information System (INIS)

Xuelin, Tang Xue; Liyuan, Bian; Fujun, Wang; Xiaoqin, Lin; Man, Hao

2013-01-01

A cavitation model with thermodynamic effects for cavitating flows in a diffuser-type centrifugal pump is developed based on the bubble two-phase flow model. The proposed cavitation model includes mass, momentum, and energy transportations according to the thermodynamic mechanism of cavitation. Numerical simulations are conducted inside the entire passage of the centrifugal pump by using the proposed cavitation model and the renormalization group-based k - ε turbulent model coupled with the energy transportation equation. By using the commercial computational fluid dynamics software FLUENT 6.3, we have shown that the predicted performance characteristics of the pump, as well as the pressure, vapor, and density distributions in the impeller, agree well with that calculated by the full cavitation model. Simulation results show that cavitation initially occurs slightly behind the inlet of the blade suction surface, i.e., the area with maximum vapor concentration and minimum pressure. The predicted temperature field shows that the reduction in temperature restrains the growth of cavitating bubbles. Therefore, the thermodynamic effect should be treated as a necessary factor in cavitation models. Comparison results validate the efficiency and accuracy of the numerical technique in simulating cavitation flows in centrifugal pumps.

Comment on “Recent progress in thermodynamics of radiation——exergy of radiation,effective temperature of photon and entropy constant of photon”

Institute of Scientific and Technical Information of China (English)

无

2009-01-01

Chen et al.proposed the concepts of effective temperature of photon and entropy constant of photon in a recent paper [Chen Z S,Mo S P,Hu P.Recent progress in thermodynamics of radiation―exergy of radiation,effective temperature of photon and entropy constant of photon.Sci China Ser E-Tech Sci,2008,51(8):1096―1109] by enduing a single photon with macroscale thermodynamic parameters such as exergy and entropy.This paper argues that applying these concepts and their inferences to macro-scale thermodynamic system will lead to the results which conflict with macroscale thermodynamic laws.This means that the concepts of effective temperature of photon and entropy constant of photon are not correct.

Towards thermodynamical consistency of quasiparticle picture

International Nuclear Information System (INIS)

Biro, T.S.; Shanenko, A.A.; Toneev, V.D.; Research Inst. for Particle and Nuclear Physics, Hungarian Academy of Sciences, Budapest

2003-01-01

The purpose of the present article is to call attention to some realistic quasi-particle-based description of the quark/gluon matter and its consistent implementation in thermodynamics. A simple and transparent representation of the thermodynamical consistency conditions is given. This representation allows one to review critically and systemize available phenomenological approaches to the deconfinement problem with respect to their thermodynamical consistency. A particular attention is paid to the development of a method for treating the string screening in the dense matter of unbound color charges. The proposed method yields an integrable effective pair potential, which can be incorporated into the mean-field picture. The results of its application are in reasonable agreement with lattice data on the QCD thermodynamics [ru

Effect of Particle Size on Electrode Potential and Thermodynamics of Nanoparticles Electrode in Theory and Experiment

International Nuclear Information System (INIS)

Yunfeng, Yang; Yongqiang, Xue; Zixiang, Cui; Miaozhi, Zhao

2014-01-01

The particle size of electrode materials has a significant influence on the standard electrode potential and the thermodynamic properties of electrode reactions. In this paper, the size-dependent electrochemical thermodynamics has been theoretically investigated and successfully deduced electrochemical thermodynamics equations for nanoparticles electrode. At the same time, the electrode potential and thermodynamical properties of Ag 2 O/Ag nanoparticles electrode constructed by the solid and spherical Ag 2 O nanoparticles with different sizes further testified that the particle size of nanoparticles has a significant effect on electrochemical thermodynamics. The results show that the electrode potential depends on that of the smallest nanoparticle in a nanoparticles electrode which consisted of different particle sizes of nano-Ag 2 O. When the size of Ag 2 O nanoparticles reduces, the standard electrode potentials and the equilibrium constants of the corresponding electrode reactions increase, and the temperature coefficient, the mole Gibbs energy change, the mole enthalpy change and the mole entropy change decrease. Moreover, these physical quantities are all linearly related with the reciprocal of average particle size (r > 10 nm). The experimental regularities coincide with the theoretical equations

Rational extended thermodynamics

CERN Document Server

Müller, Ingo

1998-01-01

Ordinary thermodynamics provides reliable results when the thermodynamic fields are smooth, in the sense that there are no steep gradients and no rapid changes. In fluids and gases this is the domain of the equations of Navier-Stokes and Fourier. Extended thermodynamics becomes relevant for rapidly varying and strongly inhomogeneous processes. Thus the propagation of high­ frequency waves, and the shape of shock waves, and the regression of small-scale fluctuation are governed by extended thermodynamics. The field equations of ordinary thermodynamics are parabolic while extended thermodynamics is governed by hyperbolic systems. The main ingredients of extended thermodynamics are • field equations of balance type, • constitutive quantities depending on the present local state and • entropy as a concave function of the state variables. This set of assumptions leads to first order quasi-linear symmetric hyperbolic systems of field equations; it guarantees the well-posedness of initial value problems and f...

Classical and statistical thermodynamics

CERN Document Server

Rizk, Hanna A

2016-01-01

This is a text book of thermodynamics for the student who seeks thorough training in science or engineering. Systematic and thorough treatment of the fundamental principles rather than presenting the large mass of facts has been stressed. The book includes some of the historical and humanistic background of thermodynamics, but without affecting the continuity of the analytical treatment. For a clearer and more profound understanding of thermodynamics this book is highly recommended. In this respect, the author believes that a sound grounding in classical thermodynamics is an essential prerequisite for the understanding of statistical thermodynamics. Such a book comprising the two wide branches of thermodynamics is in fact unprecedented. Being a written work dealing systematically with the two main branches of thermodynamics, namely classical thermodynamics and statistical thermodynamics, together with some important indexes under only one cover, this treatise is so eminently useful.

Improved thermodynamics of SU(2) gauge theory

Energy Technology Data Exchange (ETDEWEB)

Giudice, Pietro [University of Muenster, Institute for Theoretical Physics, Muenster (Germany); Piemonte, Stefano [University of Regensburg, Institute for Theoretical Physics, Regensburg (Germany)

2017-12-15

In this work we present the results of our investigation of the thermodynamics of SU(2) gauge theory. We employ a Symanzik improved action to reduce strongly the discretisations effects, and we use the scaling relations to take into account the finite volume effects close to the critical temperature. We determine the β-function for this particular theory and we use it in the determination of different thermodynamic observables. Finally we compare our results with previous work where only the standard Wilson action was considered. We confirm the relevance of using the improved action to access easily the correct continuum thermodynamics of the theory. (orig.)

Thermodynamic Studies for Drug Design and Screening

Science.gov (United States)

Garbett, Nichola C.; Chaires, Jonathan B.

2012-01-01

Introduction A key part of drug design and development is the optimization of molecular interactions between an engineered drug candidate and its binding target. Thermodynamic characterization provides information about the balance of energetic forces driving binding interactions and is essential for understanding and optimizing molecular interactions. Areas covered This review discusses the information that can be obtained from thermodynamic measurements and how this can be applied to the drug development process. Current approaches for the measurement and optimization of thermodynamic parameters are presented, specifically higher throughput and calorimetric methods. Relevant literature for this review was identified in part by bibliographic searches for the period 2004 – 2011 using the Science Citation Index and PUBMED and the keywords listed below. Expert opinion The most effective drug design and development platform comes from an integrated process utilizing all available information from structural, thermodynamic and biological studies. Continuing evolution in our understanding of the energetic basis of molecular interactions and advances in thermodynamic methods for widespread application are essential to realize the goal of thermodynamically-driven drug design. Comprehensive thermodynamic evaluation is vital early in the drug development process to speed drug development towards an optimal energetic interaction profile while retaining good pharmacological properties. Practical thermodynamic approaches, such as enthalpic optimization, thermodynamic optimization plots and the enthalpic efficiency index, have now matured to provide proven utility in design process. Improved throughput in calorimetric methods remains essential for even greater integration of thermodynamics into drug design. PMID:22458502

Thermodynamic studies for drug design and screening.

Science.gov (United States)

Garbett, Nichola C; Chaires, Jonathan B

2012-04-01

A key part of drug design and development is the optimization of molecular interactions between an engineered drug candidate and its binding target. Thermodynamic characterization provides information about the balance of energetic forces driving binding interactions and is essential for understanding and optimizing molecular interactions. This review discusses the information that can be obtained from thermodynamic measurements and how this can be applied to the drug development process. Current approaches for the measurement and optimization of thermodynamic parameters are presented, specifically higher throughput and calorimetric methods. Relevant literature for this review was identified in part by bibliographic searches for the period 2004 - 2011 using the Science Citation Index and PUBMED and the keywords listed below. The most effective drug design and development platform comes from an integrated process utilizing all available information from structural, thermodynamic and biological studies. Continuing evolution in our understanding of the energetic basis of molecular interactions and advances in thermodynamic methods for widespread application are essential to realize the goal of thermodynamically driven drug design. Comprehensive thermodynamic evaluation is vital early in the drug development process to speed drug development toward an optimal energetic interaction profile while retaining good pharmacological properties. Practical thermodynamic approaches, such as enthalpic optimization, thermodynamic optimization plots and the enthalpic efficiency index, have now matured to provide proven utility in the design process. Improved throughput in calorimetric methods remains essential for even greater integration of thermodynamics into drug design. © 2012 Informa UK, Ltd.

Tourists' perceptions and intention to revisit Norway

OpenAIRE

Lazar, Ana Florina; Komolikova-Blindheim, Galyna

2016-01-01

Purpose - The overall purpose of this study is to explore tourists' perceptions and their intention to revisit Norway. The aim is to find out what are the factors that drive the overall satisfaction, the willingness to recommend and the revisit intention of international tourists that spend their holiday in Norway. Design-Method-Approach - the Theory of Planned Behavior (Ajzen 1991), is used as a framework to investigate tourists' intention and behavior towards Norway as destination. The o...

A constitutive model for magnetostriction based on thermodynamic framework

International Nuclear Information System (INIS)

Ho, Kwangsoo

2016-01-01

This work presents a general framework for the continuum-based formulation of dissipative materials with magneto–mechanical coupling in the viewpoint of irreversible thermodynamics. The thermodynamically consistent model developed for the magnetic hysteresis is extended to include the magnetostrictive effect. The dissipative and hysteretic response of magnetostrictive materials is captured through the introduction of internal state variables. The evolution rate of magnetostrictive strain as well as magnetization is derived from thermodynamic and dissipative potentials in accordance with the general principles of thermodynamics. It is then demonstrated that the constitutive model is competent to describe the magneto-mechanical behavior by comparing simulation results with the experimental data reported in the literature. - Highlights: • A thermodynamically consistent model is proposed to describe the magneto-mechanical coupling effect. • Internal state variables are introduced to capture the dissipative material response. • The evolution rate of the magnetostrictive strain is derived through thermodynamic and dissipation potentials.

An innovative thermodynamic model for performance evaluation of photovoltaic systems: Effect of wind speed and cell temperature

International Nuclear Information System (INIS)

Kaushik, S.C.; Rawat, Rahul; Manikandan, S.

2017-01-01

Highlights: • A novel thermodynamic modelling of photovoltaic energy system has been proposed. • The entropy, optical, thermal, spectral and fill factor losses are assessed. • The expression of energetic and exergetic efficiencies have been derived. • Reversible, endoreversible, exoreversible and irreversible systems are presented. - Abstract: The photovoltaic energy conversion is a thermodynamic system which converts the solar energy to the electrical and thermal energy. In this paper, a novel thermodynamic model of photovoltaic energy conversion system has been proposed on the basis of the first and second law of thermodynamics including entropy generation, optical, thermal, spectral and fill factor losses. Based on the irreversibilities, the proposed model has been classified into four cases i.e. reversible, endoreversible, exoreversible and irreversible systems, for which, the expressions of energetic and exergetic efficiencies have been derived. The upper limit efficiency of an ideal photovoltaic module placed in an irreversible environment, i.e. endoreversible system, is determined to be 82.8%. The effect of wind speed and module temperature on the energetic and exergetic efficiencies, thermodynamic losses and irreversibilities has also been presented.

The significance test controversy revisited the fiducial Bayesian alternative

CERN Document Server

Lecoutre, Bruno

2014-01-01

The purpose of this book is not only to revisit the “significance test controversy,”but also to provide a conceptually sounder alternative. As such, it presents a Bayesian framework for a new approach to analyzing and interpreting experimental data. It also prepares students and researchers for reporting on experimental results. Normative aspects: The main views of statistical tests are revisited and the philosophies of Fisher, Neyman-Pearson and Jeffrey are discussed in detail. Descriptive aspects: The misuses of Null Hypothesis Significance Tests are reconsidered in light of Jeffreys’ Bayesian conceptions concerning the role of statistical inference in experimental investigations. Prescriptive aspects: The current effect size and confidence interval reporting practices are presented and seriously questioned. Methodological aspects are carefully discussed and fiducial Bayesian methods are proposed as a more suitable alternative for reporting on experimental results. In closing, basic routine procedures...

The effectiveness of problem-based learning on teaching the first law of thermodynamics

Science.gov (United States)

Tatar, Erdal; Oktay, Münir

2011-11-01

Background: Problem-based learning (PBL) is a teaching approach working in cooperation with self-learning and involving research to solve real problems. The first law of thermodynamics states that energy can neither be created nor destroyed, but that energy is conserved. Students had difficulty learning or misconceptions about this law. This study is related to the teaching of the first law of thermodynamics within a PBL environment. Purpose: This study examined the effectiveness of PBL on candidate science teachers' understanding of the first law of thermodynamics and their science process skills. This study also examined their opinions about PBL. Sample: The sample consists of 48 third-grade university students from the Department of Science Education in one of the public universities in Turkey. Design and methods: A one-group pretest-posttest experimental design was used. Data collection tools included the Achievement Test, Science Process Skill Test, Constructivist Learning Environment Survey and an interview with open-ended questions. Paired samples t-test was conducted to examine differences in pre/post tests. Results: The PBL approach has a positive effect on the students' learning abilities and science process skills. The students thought that the PBL environment supports effective and permanent learning, and self-learning planning skills. On the other hand, some students think that the limited time and unfamiliarity of the approach impede learning. Conclusions: The PBL is an active learning approach supporting students in the process of learning. But there are still many practical disadvantages that could reduce the effectiveness of the PBL. To prevent the alienation of the students, simple PBL activities should be applied from the primary school level. In order to overcome time limitations, education researchers should examine short-term and effective PBL activities.

Revisiting Constructivist Teaching Methods in Ontario Colleges Preparing for Accreditation

Science.gov (United States)

Schultz, Rachel A.

2015-01-01

At the time of writing, the first community colleges in Ontario were preparing for transition to an accreditation model from an audit system. This paper revisits constructivist literature, arguing that a more pragmatic definition of constructivism effectively blends positivist and interactionist philosophies to achieve both student centred…

Predictors and Outcomes of Revisits in Older Adults Discharged from the Emergency Department.

Science.gov (United States)

de Gelder, Jelle; Lucke, Jacinta A; de Groot, Bas; Fogteloo, Anne J; Anten, Sander; Heringhaus, Christian; Dekkers, Olaf M; Blauw, Gerard J; Mooijaart, Simon P

2018-04-01

To study predictors of emergency department (ED) revisits and the association between ED revisits and 90-day functional decline or mortality. Multicenter cohort study. One academic and two regional Dutch hospitals. Older adults discharged from the ED (N=1,093). At baseline, data on demographic characteristics, illness severity, and geriatric parameters (cognition, functional capacity) were collected. All participants were prospectively followed for an unplanned revisit within 30 days and for functional decline and mortality 90 days after the initial visit. The median age was 79 (interquartile range 74-84), and 114 participants (10.4%) had an ED revisit within 30 days of discharge. Age (hazard ratio (HR)=0.96, 95% confidence interval (CI)=0.92-0.99), male sex (HR=1.61, 95% CI=1.05-2.45), polypharmacy (HR=2.06, 95% CI=1.34-3.16), and cognitive impairment (HR=1.71, 95% CI=1.02-2.88) were independent predictors of a 30-day ED revisit. The area under the receiver operating characteristic curve to predict an ED revisit was 0.65 (95% CI=0.60-0.70). In a propensity score-matched analysis, individuals with an ED revisit were at higher risk (odds ratio=1.99 95% CI=1.06-3.71) of functional decline or mortality. Age, male sex, polypharmacy, and cognitive impairment were independent predictors of a 30-day ED revisit, but no useful clinical prediction model could be developed. However, an early ED revisit is a strong new predictor of adverse outcomes in older adults. © 2018 The Authors. The Journal of the American Geriatrics Society published by Wiley Periodicals, Inc. on behalf of The American Geriatrics Society.

Sensemaking Revisited

DEFF Research Database (Denmark)

Holt, Robin; Cornelissen, Joep

2014-01-01

We critique and extend theory on organizational sensemaking around three themes. First, we investigate sense arising non-productively and so beyond any instrumental relationship with things; second, we consider how sense is experienced through mood as well as our cognitive skills of manipulation ...... research by revisiting Weick’s seminal reading of Norman Maclean’s book surrounding the tragic events of a 1949 forest fire at Mann Gulch, USA....

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.)

The effect of anisotropy on the thermodynamics of the interacting holographic dark energy model

Science.gov (United States)

Hossienkhani, H.; Jafari, A.; Fayaz, V.; Ramezani, A. H.

2018-02-01

By considering a holographic model for the dark energy in an anisotropic universe, the thermodynamics of a scheme of dark matter and dark energy interaction has been investigated. The results suggest that when holographic dark energy and dark matter evolve separately, each of them remains in thermodynamic equilibrium, therefore the interaction between them may be viewed as a stable thermal fluctuation that brings a logarithmic correction to the equilibrium entropy. Also the relation between the interaction term of the dark components and this thermal fluctuation has been obtained. Additionally, for a cosmological interaction as a free function, the anisotropy effects on the generalized second law of thermodynamics have been studied. By using the latest observational data on the holographic dark energy models as the unification of dark matter and dark energy, the observational constraints have been probed. To do this, we focus on observational determinations of the Hubble expansion rate H( z). Finally, we evaluate the anisotropy effects (although low) on various topics, such as the evolution of the statefinder diagnostic, the distance modulus and the spherical collapse from the holographic dark energy model and compare them with the results of the holographic dark energy of the Friedmann-Robertson-Walker and Λ CDM models.

Revisiting NLTE Rovibrational Excitation of CO in UV Irradiated Environments

Science.gov (United States)

Zhang, Ziwei; Yang, Benhui H.; Stancil, Phillip C.; Walker, Kyle M.; Forrey, Robert C.; Naduvalath, Balakrishnan

2018-06-01

Being the second most abundant molecule in the ISM, CO has been well observed and studied as a tracer for many astrophysical processes. Highly rovibrationally excited CO emission is used to reveal features in intense UV-irradiated regions such as the inner rim of protoplanetary disks, carbon star envelopes, and star forming regions. Collisional rate coefficients are crucial for non-local thermodynamic equilibrium (NLTE) molecular analysis in such regions, while data for high rovibrational levels for CO were previously unavailable. Here we revisit CO excitation properties with comprehensive collisional data including high rovibrational states (up to v=5 and J=40) colliding with H2, H and He, in various NLTE astrophysical environments with the spectral modeling packages RADEX and Cloudy. We studied line ratio diagnostics between low- and high-vibrational transitions with RADEX. Using Cloudy, we investigated molecular properties in complex environments, such as photodissociation regions and the outflow of the carbon star IRC+10216, illustrating the potential for utilizing high rovibrational NLTE analysis in future astrophysical modeling.This work was supported by NASA Grants NNX15AI61G and NNX16AF09G.

What matters to infrequent customers: a pragmatic approach to understanding perceived value and intention to revisit trendy coffee café.

Science.gov (United States)

Ting, Hiram; Thurasamy, Ramayah

2016-01-01

Notwithstanding the rise of trendy coffee café, little is done to investigate revisit intention towards the café in the context of developing markets. In particular, there is a lack of study which provides theoretical and practical explanation to the perceptions and behaviours of infrequent customers. Hence, the study aims to look into the subject matter by using the theory of reasoned action and social exchange theory as the underpinning basis. The framework proposed by Pine and Gilmore (Strat Leadersh 28:18-23, 2000), which asserts the importance of product quality, service quality and experience quality in a progressive manner, is used to decompose perceived value in the model so as to determine their effects on intention to revisit the café. Given the importance to gain practical insights into revisit intention of infrequent customers, pragmatism stance is assumed. Explanatory sequential mixed-method design is thus adopted whereby qualitative approach is used to confirm and complement quantitative findings. Self-administered questionnaire-based survey is first administered before personal interview is carried out at various cafés. Partial least squares structural equation modelling and content analysis are appropriated successively. In the quantitative findings, although product quality, service quality and experience quality are found to have positive effect on perceived value and revisit intention towards trendy coffee café, experience quality is found to have the greater effect than the others among the infrequent customers. The qualitative findings not only confirm their importance, but most importantly explain the favourable impressions they have at trendy coffee café based on their last in-store experience. While product and service quality might not necessary stimulate them to revisit trendy coffee café, experience quality driven by purposes of visit would likely affect their intention to revisit. As retaining customers is of utmost importance to

Development of Thermodynamic Conceptual Evaluation

Science.gov (United States)

Talaeb, P.; Wattanakasiwich, P.

2010-07-01

This research aims to develop a test for assessing student understanding of fundamental principles in thermodynamics. Misconceptions found from previous physics education research were used to develop the test. Its topics include heat and temperature, the zeroth and the first law of thermodynamics, and the thermodynamics processes. The content validity was analyzed by three physics experts. Then the test was administered to freshmen, sophomores and juniors majored in physics in order to determine item difficulties and item discrimination of the test. A few items were eliminated from the test. Finally, the test will be administered to students taking Physics I course in order to evaluate the effectiveness of Interactive Lecture Demonstrations that will be used for the first time at Chiang Mai University.

EFFECT SIGNIFICANCE ASSESSMENT OF THE THERMODYNAMICAL FACTORS ON THE SOLID OXIDE FUEL CELL OPERATION

Directory of Open Access Journals (Sweden)

V. A. Sednin

2015-01-01

Full Text Available Technologies of direct conversion of the fuel energy into electrical power are an upcoming trend in power economy. Over the last decades a number of countries have created industrial prototypes of power plants on fuel elements (cells, while fuel cells themselves became a commercial product on the world energy market. High electrical efficiency of the fuel cells allows predictting their further spread as part of hybrid installations jointly with gas and steam turbines which specifically enables achieving the electrical efficiency greater than 70 %. Nevertheless, investigations in the area of increasing efficiency and reliability of the fuel cells continue. Inter alia, research into the effects of oxidizing reaction thermodynamic parameters, fuel composition and oxidation reaction products on effectiveness of the solid oxide fuel cells (SOFC is of specific scientific interest. The article presents a concise analysis of the fuel type effects on the SOFC efficiency. Based on the open publications experimental data and the data of numerical model studies, the authors adduce results of the statistical analysis of the SOFC thermodynamic parameters effect on the effectiveness of its functioning as well as of the reciprocative factors of these parameters and gas composition at the inlet and at the outlet of the cell. The presented diagrams reflect dimension of the indicated parameters on the SOFC operation effectiveness. The significance levels of the above listed factors are ascertained. Statistical analysis of the effects of the SOFC functionning process thermodynamical, consumption and concentration parameters demonstrates quintessential influence of the reciprocative factors (temperature – flow-rate and pressure – flow-rate and the nitrogen N2 and oxygen O2 concentrations on the operation efficiency in the researched range of its functioning. These are the parameters to be considered on a first-priority basis while developing mathematical models

Correct thermodynamic forces in Tsallis thermodynamics: connection with Hill nanothermodynamics

International Nuclear Information System (INIS)

Garcia-Morales, Vladimir; Cervera, Javier; Pellicer, Julio

2005-01-01

The equivalence between Tsallis thermodynamics and Hill's nanothermodynamics is established. The correct thermodynamic forces in Tsallis thermodynamics are pointed out. Through this connection we also find a general expression for the entropic index q which we illustrate with two physical examples, allowing in both cases to relate q to the underlying dynamics of the Hamiltonian systems

Thermodynamics and heat power

CERN Document Server

Granet, Irving

2014-01-01

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

Thermodynamic data-base for metal fluorides

Energy Technology Data Exchange (ETDEWEB)

Yoo, Jae Hyung; Lee, Byung Gik; Kang, Young Ho and others

2001-05-01

This study is aimed at collecting useful data of thermodynamic properties of various metal fluorides. Many thermodynamic data for metal fluorides are needed for the effective development, but no report of data-base was published. Accordingly, the objective of this report is to rearrange systematically the existing thermodynamic data based on metal fluorides and is to use it as basic data for the development of pyrochemical process. The physicochemical properties of various metal fluorides and metals were collected from literature and such existing data base as HSC code, TAPP code, FACT code, JANAF table, NEA data-base, CRC handbook. As major contents of the thermodynamic data-base, the physicochemical properties such as formation energy, viscosity, density, vapor pressure, etc. were collected. Especially, some phase diagrams of eutectic molten fluorides are plotted and thermodynamic data of liquid metals are also compiled. In the future, the technical report is to be used as basic data for the development of the pyrochemical process which is being carried out as a long-term nuclear R and D project.

Thermodynamic data-base for metal fluorides

International Nuclear Information System (INIS)

Yoo, Jae Hyung; Lee, Byung Gik; Kang, Young Ho and others

2001-05-01

This study is aimed at collecting useful data of thermodynamic properties of various metal fluorides. Many thermodynamic data for metal fluorides are needed for the effective development, but no report of data-base was published. Accordingly, the objective of this report is to rearrange systematically the existing thermodynamic data based on metal fluorides and is to use it as basic data for the development of pyrochemical process. The physicochemical properties of various metal fluorides and metals were collected from literature and such existing data base as HSC code, TAPP code, FACT code, JANAF table, NEA data-base, CRC handbook. As major contents of the thermodynamic data-base, the physicochemical properties such as formation energy, viscosity, density, vapor pressure, etc. were collected. Especially, some phase diagrams of eutectic molten fluorides are plotted and thermodynamic data of liquid metals are also compiled. In the future, the technical report is to be used as basic data for the development of the pyrochemical process which is being carried out as a long-term nuclear R and D project

Heat and thermodynamics

CERN Document Server

Saxena, A K

2014-01-01

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

Short or Long End of the Lever? Associations between Provider Communication of the "Asthma-Action Plan" and Outpatient Revisits for Pediatric Asthma.

Science.gov (United States)

Rangachari, Pavani; Mehta, Renuka; Rethemeyer, R Karl; Ferrang, Carole; Dennis, Clifton; Redd, Vickie

2015-10-01

At the Children's Hospital of Georgia (CHOG), we found that outpatient revisits for pediatric asthma were significantly above national norms. According to the NIH, costly hospital revisits for asthma can be prevented through guidelines-based self-management of asthma, central to which, is the use of a written Asthma-Action Plan (AAP). The asthma services literature has emphasized the role of the healthcare provider in promoting asthma self-management using the AAP, to prevent hospital revisits. On the other hand, the asthma policy literature has emphasized the need for community-based interventions to promote asthma self-management. A gap remains in understanding the extent of leverage that healthcare providers may have in preventing hospital revisits for asthma, through effective communication of AAP in the outpatient setting. Our study sought to address this gap. We conducted a 6-month intervention to implement "patient-and-family-centered communication of the AAP" in CHOG outpatient clinics, based on the "change-management" theoretical framework. Provider communication of AAP was assessed through a survey of "Parent Understanding of the Child's AAP." A quasi-experimental approach was used to measure outpatient revisits for pediatric asthma, pre- and post-intervention. Survey results showed that provider communication of the AAP was unanimously perceived highly positively by parents of pediatric asthma patients, across various metrics of patient-centered care. However, there were no statistically significant differences in outpatient "revisit behavior" for pediatric asthma between pre- and post-intervention periods after controlling for several demographic variables. Additionally, revisits remained significantly above national norms. Results suggest limited potential of "effective provider communication of AAP," in reducing outpatient revisits for pediatric asthma; and indicate need for broader community-based interventions to address patient life variables

Revisiting the electrochemical oxidation of ammonia on carbon-supported metal nanoparticle catalysts

International Nuclear Information System (INIS)

Li, Zhe-Fei; Wang, Yuxuan; Botte, Gerardine G.

2017-01-01

Highlights: • A procedure to pretreat electrocatalysts to study the ammonia oxidation is provided. • N ads and O/OH ads were identified as the major deactivation species that prevent ammonia oxidatoin. • The electrocatalytic activity, thermodynamics, and possible deactivation mechanisms for ammonia oxidation were elucidated. • The onset potential for ammonia oxidation is related to the hydrogen binding energy of the catalyst. • Ammonia electro-oxidation involves a complex decoupled electron and proton transfer process. - Abstract: The ammonia electro-oxidation reaction (AOR) has been studied due to its promising applications in ammonia electrolysis, wastewater remediation, direct ammonia fuel cells, and sensors. However, it is difficult to compare and analyze the reported electrocatalytic activity of AOR reliably, likely due to the variation in catalyst synthesis, electrode composition, electrode morphology, and testing protocol. In this paper, the electro-oxidation of ammonia on different carbon-supported precious metal nanoparticle catalysts was revisited. The effect of experimental conditions, electrochemical test parameters, electrocatalytic activity, thermodynamics, and possible deactivation mechanism of the catalysts were investigated. Pt/C catalyst possesses the highest electrocatalytic activity, while Ir/C and Rh/C show lower overpotential. The onset potential of the AOR is related to the hydrogen binding energy of the catalyst. N ads is one major cause of deactivation accompanied with the formation of surface O/OH ads at high potentials. The coulombic efficiency of N ads formation on Pt is about 1% initially and gradually decreases with reaction time. Increase in ammonia concentration leads to increase in current density, while increase in hydroxyl ions concentration can enhance the current density and reduce the overpotential simultaneously. The slopes of AOR onset potential and hydrogen adsorption/desorption potential of Pt/C as a function of p

Thermodynamics of Bioreactions.

Science.gov (United States)

Held, Christoph; Sadowski, Gabriele

2016-06-07

Thermodynamic principles have been applied to enzyme-catalyzed reactions since the beginning of the 1930s in an attempt to understand metabolic pathways. Currently, thermodynamics is also applied to the design and analysis of biotechnological processes. The key thermodynamic quantity is the Gibbs energy of reaction, which must be negative for a reaction to occur spontaneously. However, the application of thermodynamic feasibility studies sometimes yields positive Gibbs energies of reaction even for reactions that are known to occur spontaneously, such as glycolysis. This article reviews the application of thermodynamics in enzyme-catalyzed reactions. It summarizes the basic thermodynamic relationships used for describing the Gibbs energy of reaction and also refers to the nonuniform application of these relationships in the literature. The review summarizes state-of-the-art approaches that describe the influence of temperature, pH, electrolytes, solvents, and concentrations of reacting agents on the Gibbs energy of reaction and, therefore, on the feasibility and yield of biological reactions.

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

On thermodynamics of methane+carbonaceous materials adsorption

KAUST Repository

Rahman, Kazi Afzalur

2012-01-01

This study presents the theoretical frameworks for the thermodynamic quantities namely the heat of adsorption, specific heat capacity, entropy, and enthalpy for the adsorption of methane onto various carbonaceous materials. The proposed theoretical frameworks are developed from the rigor of thermodynamic property surfaces of a single component adsorbate-adsorbent system and by incorporating the micropore filling theory approach, where the effect of adsorbed phase volume is considered. The abovementioned thermodynamic properties are quantitatively evaluated from the experimental uptake data for methane adsorption onto activated carbons such as Maxsorb III at temperatures ranging from 120 to 350 K and pressures up to 25 bar. Employing the proposed thermodynamic approaches, this paper shows the thermodynamic maps of the charge and discharge processes of adsorbed natural gas (ANG) storage system for understanding the behaviors of natural gas in ANG vessel. © 2011 Elsevier Ltd. All rights reserved.

Design of thermodynamic experiments and analyses of thermodynamic relationships

International Nuclear Information System (INIS)

Oezer Arnas, A.

2009-01-01

In teaching of thermodynamics, a certain textbook is followed internationally whatever language it is written in. However, although some do a very good job, most are not correct and precise and furthermore NONE discuss at all the need for and importance of designing thermodynamic experiments although experimentation in engineering is considered to be the back bone of analyses, not pursued much these days, or numerical studies, so very predominant these days. Here some thermodynamic experiments along with physical interpretation of phenomena through simple mathematics will be discussed that are straightforward, meaningful and which can be performed by any undergraduate/graduate student. Another important topic for discussion is the fact that the thermodynamic state principle demands uniqueness of results. It has been found in literature that this fact is not well understood by those who attempt to apply it loosely and end up with questionable results. Thermodynamics is the fundamental science that clarifies all these issues if well understood, applied and interpreted. The attempt of this paper is to clarify these situations and offer alternative methods for analyses. (author)

An introduction to equilibrium thermodynamics

CERN Document Server

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

1973-01-01

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

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.

Methods of thermodynamics

CERN Document Server

Reiss, Howard

1997-01-01

Since there is no shortage of excellent general books on elementary thermodynamics, this book takes a different approach, focusing attention on the problem areas of understanding of concept and especially on the overwhelming but usually hidden role of ""constraints"" in thermodynamics, as well as on the lucid exposition of the significance, construction, and use (in the case of arbitrary systems) of the thermodynamic potential. It will be especially useful as an auxiliary text to be used along with any standard treatment.Unlike some texts, Methods of Thermodynamics does not use statistical m

The Thermodynamics of General and Local Anesthesia

Science.gov (United States)

Græsbøll, Kaare; Sasse-Middelhoff, Henrike; Heimburg, Thomas

2014-05-01

General anesthetics are known to cause depression of the freezing point of transitions in biomembranes. This is a consequence of ideal mixing of the anesthetic drugs in the membrane fluid phase and exclusion from the solid phase. Such a generic law provides physical justification of the famous Meyer-Overton rule. We show here that general anesthetics, barbiturates and local anesthetics all display the same effect on melting transitions. Their effect is reversed by hydrostatic pressure. Thus, the thermodynamic behavior of local anesthetics is very similar to that of general anesthetics. We present a detailed thermodynamic analysis of heat capacity profiles of membranes in the presence of anesthetics. This analysis is able to describe experimentally observed calorimetric profiles and permits prediction of the anesthetic features of arbitrary molecules. In addition, we discuss the thermodynamic origin of the cutoff-effect of long-chain alcohols and the additivity of the effect of general and local anesthetics.

Nonperturbative quark-gluon thermodynamics at finite density

Science.gov (United States)

Andreichikov, M. A.; Lukashov, M. S.; Simonov, Yu. A.

2018-03-01

Thermodynamics of the quark-gluon plasma at finite density is studied in the framework of the Field Correlator Method, where thermodynamical effects of Polyakov loops and color magnetic confinement are taken into account. Having found good agreement with numerical lattice data for zero density, we calculate pressure P(T,μ), for 0 confinement.

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

A Structural Equation Model of Risk Perception of Rockfall for Revisit Intention

OpenAIRE

Ya-Fen Lee; Yun-Yao Chi

2014-01-01

The study aims to explore the relationship between risk perception of rockfall and revisit intention using a Structural Equation Modeling (SEM) analysis. A total of 573 valid questionnaires are collected from travelers to Taroko National Park, Taiwan. The findings show the majority of travelers have the medium perception of rockfall risk, and are willing to revisit the Taroko National Park. The revisit intention to Taroko National Park is influenced by hazardous preferences, willingness-to-pa...

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…

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...

A New Perspective on Thermodynamics

CERN Document Server

Lavenda, Bernard H

2010-01-01

Dr. Bernard H. Lavenda has written A New Perspective on Thermodynamics to combine an old look at thermodynamics with a new foundation. The book presents a historical perspective, which unravels the current presentation of thermodynamics found in standard texts, and which emphasizes the fundamental role that Carnot played in the development of thermodynamics. A New Perspective on Thermodynamics will: Chronologically unravel the development of the principles of thermodynamics and how they were conceived by their discoverers Bring the theory of thermodynamics up to the present time and indicate areas of further development with the union of information theory and the theory of means and their inequalities. New areas include nonextensive thermodynamics, the thermodynamics of coding theory, multifractals, and strange attractors. Reintroduce important, yet nearly forgotten, teachings of N.L. Sardi Carnot Highlight conceptual flaws in timely topics such as endoreversible engines, finite-time thermodynamics, geometri...

Short or Long End of the Lever? Associations between Provider Communication of the “Asthma-Action Plan” and Outpatient Revisits for Pediatric Asthma

Science.gov (United States)

Rangachari, Pavani; Mehta, Renuka; Rethemeyer, R. Karl; Ferrang, Carole; Dennis, Clifton; Redd, Vickie

2017-01-01

Background At the Children’s Hospital of Georgia (CHOG), we found that outpatient revisits for pediatric asthma were significantly above national norms. According to the NIH, costly hospital revisits for asthma can be prevented through guidelines-based self-management of asthma, central to which, is the use of a written Asthma-Action Plan (AAP). Purpose The asthma services literature has emphasized the role of the healthcare provider in promoting asthma self-management using the AAP, to prevent hospital revisits. On the other hand, the asthma policy literature has emphasized the need for community-based interventions to promote asthma self-management. A gap remains in understanding the extent of leverage that healthcare providers may have in preventing hospital revisits for asthma, through effective communication of AAP in the outpatient setting. Our study sought to address this gap. Methods We conducted a 6-month intervention to implement “patient-and-family-centered communication of the AAP” in CHOG outpatient clinics, based on the “change-management” theoretical framework. Provider communication of AAP was assessed through a survey of “Parent Understanding of the Child’s AAP.” A quasi-experimental approach was used to measure outpatient revisits for pediatric asthma, pre- and post-intervention. Results Survey results showed that provider communication of the AAP was unanimously perceived highly positively by parents of pediatric asthma patients, across various metrics of patient-centered care. However, there were no statistically significant differences in outpatient “revisit behavior” for pediatric asthma between pre- and post-intervention periods after controlling for several demographic variables. Additionally, revisits remained significantly above national norms. Conclusions Results suggest limited potential of “effective provider communication of AAP,” in reducing outpatient revisits for pediatric asthma; and indicate need for

A new cross-effect in local relativistic thermodynamics of irreversible processes

International Nuclear Information System (INIS)

Gariel, J.

1981-01-01

It is shown that the supplementary term qsup(α)usub(α) which appears in the caloric conducting fluid Eckart's theory (where qsup(α) is the derivative by the curvilinear absciss of the calorific conduction density and usub(α) the local unitary speed) states a thermodynamics construction problem. We can solve this one by admitting the existence of a new relativistic 'thermokinetic' cross-effect, which leads to the relativistic Fourier's hypothesis of Pham Mau Quan [fr

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

Remembered Experiences and Revisit Intentions

DEFF Research Database (Denmark)

Barnes, Stuart; Mattsson, Jan; Sørensen, Flemming

2016-01-01

Tourism is an experience-intensive sector in which customers seek and pay for experiences above everything else. Remembering past tourism experiences is also crucial for an understanding of the present, including the predicted behaviours of visitors to tourist destinations. We adopt a longitudinal...... approach to memory data collection from psychological science, which has the potential to contribute to our understanding of tourist behaviour. In this study, we examine the impact of remembered tourist experiences in a safari park. In particular, using matched survey data collected longitudinally and PLS...... path modelling, we examine the impact of positive affect tourist experiences on the development of revisit intentions. We find that longer-term remembered experiences have the strongest impact on revisit intentions, more so than predicted or immediate memory after an event. We also find that remembered...

Finite size effects in the thermodynamics of a free neutral scalar field

Science.gov (United States)

Parvan, A. S.

2018-04-01

The exact analytical lattice results for the partition function of the free neutral scalar field in one spatial dimension in both the configuration and the momentum space were obtained in the framework of the path integral method. The symmetric square matrices of the bilinear forms on the vector space of fields in both configuration space and momentum space were found explicitly. The exact lattice results for the partition function were generalized to the three-dimensional spatial momentum space and the main thermodynamic quantities were derived both on the lattice and in the continuum limit. The thermodynamic properties and the finite volume corrections to the thermodynamic quantities of the free real scalar field were studied. We found that on the finite lattice the exact lattice results for the free massive neutral scalar field agree with the continuum limit only in the region of small values of temperature and volume. However, at these temperatures and volumes the continuum physical quantities for both massive and massless scalar field deviate essentially from their thermodynamic limit values and recover them only at high temperatures or/and large volumes in the thermodynamic limit.

Simulated annealing with constant thermodynamic speed

International Nuclear Information System (INIS)

Salamon, P.; Ruppeiner, G.; Liao, L.; Pedersen, J.

1987-01-01

Arguments are presented to the effect that the optimal annealing schedule for simulated annealing proceeds with constant thermodynamic speed, i.e., with dT/dt = -(v T)/(ε-√C), where T is the temperature, ε- is the relaxation time, C ist the heat capacity, t is the time, and v is the thermodynamic speed. Experimental results consistent with this conjecture are presented from simulated annealing on graph partitioning problems. (orig.)

Introduction to applied thermodynamics

CERN Document Server

Helsdon, R M; Walker, G E

1965-01-01

Introduction to Applied Thermodynamics is an introductory text on applied thermodynamics and covers topics ranging from energy and temperature to reversibility and entropy, the first and second laws of thermodynamics, and the properties of ideal gases. Standard air cycles and the thermodynamic properties of pure substances are also discussed, together with gas compressors, combustion, and psychrometry. This volume is comprised of 16 chapters and begins with an overview of the concept of energy as well as the macroscopic and molecular approaches to thermodynamics. The following chapters focus o

Twenty lectures on thermodynamics

CERN Document Server

Buchdahl, H A

2013-01-01

Twenty Lectures on Thermodynamics is a course of lectures, parts of which the author has given various times over the last few years. The book gives the readers a bird's eye view of phenomenological and statistical thermodynamics. The book covers many areas in thermodynamics such as states and transition; adiabatic isolation; irreversibility; the first, second, third and Zeroth laws of thermodynamics; entropy and entropy law; the idea of the application of thermodynamics; pseudo-states; the quantum-static al canonical and grand canonical ensembles; and semi-classical gaseous systems. The text

Thermodynamics of Dipolar Chain Systems

DEFF Research Database (Denmark)

R. Armstrong, J.; Zinner, Nikolaj Thomas; V. Fedorov, D.

2012-01-01

The thermodynamics of a quantum system of layers containing perpendicularly oriented dipolar molecules is studied within an oscillator approximation for both bosonic and fermionic species. The system is assumed to be built from chains with one molecule in each layer. We consider the effects...... numerically. Our findings indicate that thermodynamic observables, such as the heat capacity, can be used to probe the signatures of the intralayer interaction between chains. This should be relevant for near future experiments on polar molecules with strong dipole moments....

Size- and shape-dependent surface thermodynamic properties of nanocrystals

Science.gov (United States)

Fu, Qingshan; Xue, Yongqiang; Cui, Zixiang

2018-05-01

As the fundamental properties, the surface thermodynamic properties of nanocrystals play a key role in the physical and chemical changes. However, it remains ambiguous about the quantitative influence regularities of size and shape on the surface thermodynamic properties of nanocrystals. Thus by introducing interface variables into the Gibbs energy and combining Young-Laplace equation, relations between the surface thermodynamic properties (surface Gibbs energy, surface enthalpy, surface entropy, surface energy and surface heat capacity), respectively, and size of nanocrystals with different shapes were derived. Theoretical estimations of the orders of the surface thermodynamic properties of nanocrystals agree with available experimental values. Calculated results of the surface thermodynamic properties of Au, Bi and Al nanocrystals suggest that when r > 10 nm, the surface thermodynamic properties linearly vary with the reciprocal of particle size, and when r < 10 nm, the effect of particle size on the surface thermodynamic properties becomes greater and deviates from linear variation. For nanocrystals with identical equivalent diameter, the more the shape deviates from sphere, the larger the surface thermodynamic properties (absolute value) are.

Black hole thermodynamics under the microscope

Science.gov (United States)

Falls, Kevin; Litim, Daniel F.

2014-04-01

A coarse-grained version of the effective action is used to study the thermodynamics of black holes, interpolating from largest to smallest masses. The physical parameters of the black hole are linked to the running couplings by thermodynamics, and the corresponding equation of state includes quantum corrections for temperature, specific heat, and entropy. If quantum gravity becomes asymptotically safe, the state function predicts conformal scaling in the limit of small horizon area and bounds on black hole mass and temperature. A metric-based derivation for the equation of state and quantum corrections to the thermodynamical, statistical, and phenomenological definition of entropy are also given. Further implications and limitations of our study are discussed.

Thermodynamic holography

Science.gov (United States)

Wei, Bo-Bo; Jiang, Zhan-Feng; Liu, Ren-Bao

2015-01-01

The holographic principle states that the information about a volume of a system is encoded on the boundary surface of the volume. Holography appears in many branches of physics, such as optics, electromagnetism, many-body physics, quantum gravity, and string theory. Here we show that holography is also an underlying principle in thermodynamics, a most important foundation of physics. The thermodynamics of a system is fully determined by its partition function. We prove that the partition function of a finite but arbitrarily large system is an analytic function on the complex plane of physical parameters, and therefore the partition function in a region on the complex plane is uniquely determined by its values along the boundary. The thermodynamic holography has applications in studying thermodynamics of nano-scale systems (such as molecule engines, nano-generators and macromolecules) and provides a new approach to many-body physics. PMID:26478214

Quark matter revisited with non-extensive MIT bag model

Energy Technology Data Exchange (ETDEWEB)

Cardoso, Pedro H.G.; Nunes da Silva, Tiago; Menezes, Debora P. [Universidade Federal de Santa Catarina, Departamento de Fisica, CFM, Florianopolis (Brazil); Deppman, Airton [Instituto de Fisica da Universidade de Sao Paulo, Sao Paulo (Brazil)

2017-10-15

In this work we revisit the MIT bag model to describe quark matter within both the usual Fermi-Dirac and the Tsallis statistics. We verify the effects of the non-additivity of the latter by analysing two different pictures: the first order phase transition of the QCD phase diagram and stellar matter properties. While the QCD phase diagram is visually affected by the Tsallis statistics, the resulting effects on quark star macroscopic properties are barely noticed. (orig.)

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.

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

Effective-field treatment of an anisotropic Ising ferromagnet: thermodynamical properties

International Nuclear Information System (INIS)

Sarmento, E.F.; Honmura, R.; Tsallis, C.

1982-01-01

The anisotropic square lattice spin -1/2 Ising ferromagnet is discussed. Through this system it is illustrated how all relevant thermodynamical quantities (phase diagram, magnetization, short range order parameter, specific heat and susceptibility) can be approximatively calculated within an effective-field unified procedure (which substantially improves the Mean Field Approximation). Two slightly different approximations for the susceptibility (whose exact computation is still lacking) are presented. The (square lattice) - (linear chain) crossover is exhibited. The present (mathematically simple) procedures could be useful in the study of complex Ising problems. (Author) [pt

Bounded Intention Planning Revisited

OpenAIRE

Sievers Silvan; Wehrle Martin; Helmert Malte

2014-01-01

Bounded intention planning provides a pruning technique for optimal planning that has been proposed several years ago. In addition partial order reduction techniques based on stubborn sets have recently been investigated for this purpose. In this paper we revisit bounded intention planning in the view of stubborn sets.

HPLC retention thermodynamics of grape and wine tannins.

Science.gov (United States)

Barak, Jennifer A; Kennedy, James A

2013-05-08

The effect of grape and wine tannin structure on retention thermodynamics under reversed-phase high-performance liquid chromatography conditions on a polystyrene divinylbenzene column was investigated. On the basis of retention response to temperature, an alternative retention factor was developed to approximate the combined temperature response of the complex, unresolvable tannin mixture. This alternative retention factor was based upon relative tannin peak areas separated by an abrupt change in solvent gradient. Using this alternative retention factor, retention thermodynamics were calculated. Van't Hoff relationships of the natural log of the alternative retention factor against temperature followed Kirchoff's relationship. An inverse quadratic equation was fit to the data, and from this the thermodynamic parameters for tannin retention were calculated. All tannin fractions exhibited exothermic, spontaneous interaction, with enthalpy-entropy compensation observed. Normalizing for tannin size, distinct tannin compositional effects on thermodynamic parameters were observed. The results of this study indicate that HPLC can be valuable for measuring the thermodynamics of tannin interaction with a hydrophobic surface and provides a potentially valuable alternative to calorimetry. Furthermore, the information gathered may provide insight into understanding red wine astringency quality.

Fluctuating Thermodynamics for Biological Processes

Science.gov (United States)

Ham, Sihyun

Because biomolecular processes are largely under thermodynamic control, dynamic extension of thermodynamics is necessary to uncover the mechanisms and driving factors of fluctuating processes. The fluctuating thermodynamics technology presented in this talk offers a practical means for the thermodynamic characterization of conformational dynamics in biomolecules. The use of fluctuating thermodynamics has the potential to provide a comprehensive picture of fluctuating phenomena in diverse biological processes. Through the application of fluctuating thermodynamics, we provide a thermodynamic perspective on the misfolding and aggregation of the various proteins associated with human diseases. In this talk, I will present the detailed concepts and applications of the fluctuating thermodynamics technology for elucidating biological processes. This work was supported by Samsung Science and Technology Foundation under Project Number SSTF-BA1401-13.

Thermodynamics of perfect fluids from scalar field theory

CERN Document Server

Ballesteros, Guillermo; Pilo, Luigi

2016-01-01

The low-energy dynamics of relativistic continuous media is given by a shift-symmetric effective theory of four scalar fields. These scalars describe the embedding in spacetime of the medium and play the role of Stuckelberg fields for spontaneously broken spatial and time translations. Perfect fluids are selected imposing a stronger symmetry group or reducing the field content to a single scalar. We explore the relation between the field theory description of perfect fluids to thermodynamics. By drawing the correspondence between the allowed operators at leading order in derivatives and the thermodynamic variables, we find that a complete thermodynamic picture requires the four Stuckelberg fields. We show that thermodynamic stability plus the null energy condition imply dynamical stability. We also argue that a consistent thermodynamic interpretation is not possible if any of the shift symmetries is explicitly broken.

Systemic analysis of thermodynamic properties of lanthanide halides

International Nuclear Information System (INIS)

Mirsaidov, U.; Badalov, A.; Marufi, V.K.

1992-01-01

System analysis of thermodynamic characteristics of lanthanide halides was carried out. A method making allowances for the influence of spin and orbital moments of momentum of the main states of lanthanide trivalent ions in their natural series was employed. Unknown in literature thermodynamic values were calculated and corrected for certain compounds. The character of lanthanide halide thermodynamic parameter change depending on ordinal number of the metals was ascertained. Pronouncement of tetrad-effect in series of compounds considered was pointed out

Thermodynamics of nuclear materials

International Nuclear Information System (INIS)

1979-01-01

Full text: The science of chemical thermodynamics has substantially contributed to the understanding of the many problems encountered in nuclear and reactor technology. These problems include reaction of materials with their surroundings and chemical and physical changes of fuels. Modern reactor technology, by its very nature, has offered new fields of investigations for the scientists and engineers concerned with the design of nuclear fuel elements. Moreover, thermodynamics has been vital in predicting the behaviour of new materials for fission as well as fusion reactors. In this regard, the Symposium was organized to provide a mechanism for review and discussion of recent thermodynamic investigations of nuclear materials. The Symposium was held in the Juelich Nuclear Research Centre, at the invitation of the Government of the Federal Republic of Germany. The International Atomic Energy Agency has given much attention to the thermodynamics of nuclear materials, as is evidenced by its sponsorship of four international symposia in 1962, 1965, 1967, and 1974. The first three meetings were primarily concerned with the fundamental thermodynamics of nuclear materials; as with the 1974 meeting, this last Symposium was primarily aimed at the thermodynamic behaviour of nuclear materials in actual practice, i.e., applied thermodynamics. Many advances have been made since the 1974 meeting, both in fundamental and applied thermodynamics of nuclear materials, and this meeting provided opportunities for an exchange of new information on this topic. The Symposium dealt in part with the thermodynamic analysis of nuclear materials under conditions of high temperatures and a severe radiation environment. Several sessions were devoted to the thermodynamic studies of nuclear fuels and fission and fusion reactor materials under adverse conditions. These papers and ensuing discussions provided a better understanding of the chemical behaviour of fuels and materials under these

Use of thermodynamic calculation to predict the effect of Si on the ageing behavior of Al-Mg-Si-Cu alloys

International Nuclear Information System (INIS)

Ji, Yanli; Zhong, Hao; Hu, Ping; Guo, Fuan

2011-01-01

Research highlights: → Thermodynamic calculation can predict the ageing behavior of 6xxx alloys. → The hardness level of the alloys depends on the Si content in as-quenched matrix. → The precipitation strengthening effect depends on the Mg 2 Si level of the alloys. -- Abstract: Thermodynamic calculation was employed to predict the influence of Si content on the ageing behavior of Al-Mg-Si-Cu alloys. In addition, experiments were carried out to verify the predictions. The results show that thermodynamic calculation can predict the effect of Si content on the ageing behavior of the studied alloys. This study further proposes that the hardness level of alloys during ageing is directly related to the Si content in the as-quenched supersaturated solution, while the precipitation strengthening effect is directly related to the Mg 2 Si level of the alloys.

Applied Thermodynamics: Grain Boundary Segregation

Directory of Open Access Journals (Sweden)

Pavel Lejček

2014-03-01

Full Text Available Chemical composition of interfaces—free surfaces and grain boundaries—is generally described by the Langmuir–McLean segregation isotherm controlled by Gibbs energy of segregation. Various components of the Gibbs energy of segregation, the standard and the excess ones as well as other thermodynamic state functions—enthalpy, entropy and volume—of interfacial segregation are derived and their physical meaning is elucidated. The importance of the thermodynamic state functions of grain boundary segregation, their dependence on volume solid solubility, mutual solute–solute interaction and pressure effect in ferrous alloys is demonstrated.

Atmospheric thermodynamics

CERN Document Server

Iribarne, J V

1973-01-01

The thermodynamics of the atmosphere is the subject of several chapters in most textbooks on dynamic meteorology, but there is no work in English to give the subject a specific and more extensive treatment. In writing the present textbook, we have tried to fill this rather remarkable gap in the literature related to atmospheric sciences. Our aim has been to provide students of meteorology with a book that can playa role similar to the textbooks on chemical thermodynamics for the chemists. This implies a previous knowledge of general thermodynamics, such as students acquire in general physics courses; therefore, although the basic principles are reviewed (in the first four chapters), they are only briefly discussed, and emphasis is laid on those topics that will be useful in later chapters, through their application to atmospheric problems. No attempt has been made to introduce the thermodynamics of irreversible processes; on the other hand, consideration of heterogeneous and open homogeneous systems permits a...

Thermodynamic geometry for a non-extensive ideal gas

Science.gov (United States)

López, J. L.; Obregón, O.; Torres-Arenas, J.

2018-05-01

A generalized entropy arising in the context of superstatistics is applied to an ideal gas. The curvature scalar associated to the thermodynamic space generated by this modified entropy is calculated using two formalisms of the geometric approach to thermodynamics. By means of the curvature/interaction hypothesis of the geometric approach to thermodynamic geometry it is found that as a consequence of considering a generalized statistics, an effective interaction arises but the interaction is not enough to generate a phase transition. This generalized entropy seems to be relevant in confinement or in systems with not so many degrees of freedom, so it could be interesting to use such entropies to characterize the thermodynamics of small systems.

Revisiting Nursing Research in Nigeria

African Journals Online (AJOL)

2016-08-18

Aug 18, 2016 ... health care research, it is therefore pertinent to revisit the state of nursing research in the country. .... platforms, updated libraries with electronic resource ... benchmarks for developing countries of 26%, [17] the amount is still ...

Time functions revisited

Science.gov (United States)

Fathi, Albert

2015-07-01

In this paper we revisit our joint work with Antonio Siconolfi on time functions. We will give a brief introduction to the subject. We will then show how to construct a Lipschitz time function in a simplified setting. We will end with a new result showing that the Aubry set is not an artifact of our proof of existence of time functions for stably causal manifolds.

Thermodynamic properties of a quasi-harmonic model for ferroelectric transitions

International Nuclear Information System (INIS)

Mkam Tchouobiap, S E; Mashiyama, H

2011-01-01

Within a framework of a quasi-harmonic model for quantum particles in a local potential of the double Morse type and within the mean-field approximation for interactions between particles, we investigate the thermodynamic properties of ferroelectric materials. A quantum thermodynamic treatment gives analytic expressions for the internal energy, the entropy, the specific heat, and the static susceptibility. The calculated thermodynamic characteristics are studied as a function of temperature and energy barrier, where it is shown that at the proper choice of the theory parameters, particularly the energy barrier, the model system exhibits characteristic features of either second-order tricritical or first-order phase transitions. Our results indicate that the barrier energy seems to be an important criterion for the character of the structural phase transition. The influence of quantum fluctuations manifested on zero-point energy on the phase transition and thermodynamic properties is analyzed and discussed. This leads to several quantum effects, including the existence of a saturation regime at low temperatures, where the order parameter saturates giving thermodynamic saturation of the calculated thermodynamic quantities. It is found that both quantum effects and energy barrier magnitude have an important influence on the thermodynamic properties of the ferroelectric materials and on driving the phase transition at low temperatures. Also, the analytical parameters' effect on the transition temperature is discussed, which seems to give a general insight into the structural phase transition and its nature.

Revisiting the decoupling effects in the running of the Cosmological Constant

International Nuclear Information System (INIS)

Antipin, Oleg; Melic, Blazenka

2017-01-01

We revisit the decoupling effects associated with heavy particles in the renormalization group running of the vacuum energy in a mass-dependent renormalization scheme. We find the running of the vacuum energy stemming from the Higgs condensate in the entire energy range and show that it behaves as expected from the simple dimensional arguments meaning that it exhibits the quadratic sensitivity to the mass of the heavy particles in the infrared regime. The consequence of such a running to the fine-tuning problem with the measured value of the Cosmological Constant is analyzed and the constraint on the mass spectrum of a given model is derived. We show that in the Standard Model (SM) this fine-tuning constraint is not satisfied while in the massless theories this constraint formally coincides with the well known Veltman condition. We also provide a remarkably simple extension of the SM where saturation of this constraint enables us to predict the radiative Higgs mass correctly. Generalization to constant curvature spaces is also given. (orig.)

Revisiting the decoupling effects in the running of the Cosmological Constant

Energy Technology Data Exchange (ETDEWEB)

Antipin, Oleg; Melic, Blazenka [Rudjer Boskovic Institute, Division of Theoretical Physics, Zagreb (Croatia)

2017-09-15

We revisit the decoupling effects associated with heavy particles in the renormalization group running of the vacuum energy in a mass-dependent renormalization scheme. We find the running of the vacuum energy stemming from the Higgs condensate in the entire energy range and show that it behaves as expected from the simple dimensional arguments meaning that it exhibits the quadratic sensitivity to the mass of the heavy particles in the infrared regime. The consequence of such a running to the fine-tuning problem with the measured value of the Cosmological Constant is analyzed and the constraint on the mass spectrum of a given model is derived. We show that in the Standard Model (SM) this fine-tuning constraint is not satisfied while in the massless theories this constraint formally coincides with the well known Veltman condition. We also provide a remarkably simple extension of the SM where saturation of this constraint enables us to predict the radiative Higgs mass correctly. Generalization to constant curvature spaces is also given. (orig.)

Gravity as a thermodynamic phenomenon

OpenAIRE

Moustos, Dimitris

2017-01-01

The analogy between the laws of black hole mechanics and the laws of thermodynamics led Bekenstein and Hawking to argue that black holes should be considered as real thermodynamic systems that are characterised by entropy and temperature. Black hole thermodynamics indicates a deeper connection between thermodynamics and gravity. We review and examine in detail the arguments that suggest an interpretation of gravity itself as a thermodynamic theory.

Effects of food processing on the thermodynamic and nutritive value of foods: literature and database survey.

Science.gov (United States)

Prochaska, L J; Nguyen, X T; Donat, N; Piekutowski, W V

2000-02-01

One of the goals of our society is to provide adequate nourishment for the general population of humans. In the strictness sense, the foodstuffs which we ingest are bundles of thermodynamic energy. In our post-industrial society, food producers provide society with the bioenergetic content of foods, while stabilizing the food in a non-perishable form that enables the consumer to access foods that are convenient and nutritious. As our modern society developed, the processing of foodstuffs increased to allow consumers flexibility in their choice in which foods to eat (based on nutritional content and amount of post-harvest processing). The thermodynamic energy content of foodstuffs is well documented in the literature by the use of bomb calorimetry measurements. Here, we determine the effects of processing (in most cases by the application of heat) on the thermodynamic energy content of foods in order to investigate the role of processing in daily nutritional needs. We also examine which processing procedures affect the nutritive quality (vitamin and mineral content) and critically assess the rational, advantages and disadvantages of additives to food. Finally, we discuss the role of endogenous enzymes in foods not only on the nutritive quality of the food but also on the freshness and flavor of the food. Our results show that a significant decrease in thermodynamic energy content occurs in fruits, vegetables, and meat products upon processing that is independent of water content. No significant change in energy content was observed in cereals, sugars, grains, fats and oils, and nuts. The vitamin content of most foods was most dramatically decreased by canning while smaller effects were observed upon blanching and freezing. We found that most food additives had very little effect on thermodynamic energy content due to their presence in minute quantities and that most were added to preserve the foodstuff or supplement its vitamin content. The endogenous food enzymes

REVISITING A CLASSIC: THE PARKER–MOFFATT PROBLEM

International Nuclear Information System (INIS)

Pezzi, O.; Servidio, S.; Valentini, F.; Malara, F.; Veltri, P.; Parashar, T. N.; Yang, Y.; Matthaeus, W. H.; Vásconez, C. L.

2017-01-01

The interaction of two colliding Alfvén wave packets is described here by means of magnetohydrodynamics (MHD) and hybrid kinetic numerical simulations. The MHD evolution revisits the theoretical insights described by Moffatt, Parker, Kraichnan, Chandrasekhar, and Elsässer in which the oppositely propagating large-amplitude wave packets interact for a finite time, initiating turbulence. However, the extension to include compressive and kinetic effects, while maintaining the gross characteristics of the simpler classic formulation, also reveals intriguing features that go beyond the pure MHD treatment.

REVISITING A CLASSIC: THE PARKER–MOFFATT PROBLEM

Energy Technology Data Exchange (ETDEWEB)

Pezzi, O.; Servidio, S.; Valentini, F.; Malara, F.; Veltri, P. [Dipartimento di Fisica, Università della Calabria, 87036 Rende (CS) (Italy); Parashar, T. N.; Yang, Y.; Matthaeus, W. H. [Department of Physics and Astronomy, University of Delaware, DE 19716 (United States); Vásconez, C. L. [Departamento de Física, Escuela Politécnica Nacional, Quito (Ecuador)

2017-01-10

The interaction of two colliding Alfvén wave packets is described here by means of magnetohydrodynamics (MHD) and hybrid kinetic numerical simulations. The MHD evolution revisits the theoretical insights described by Moffatt, Parker, Kraichnan, Chandrasekhar, and Elsässer in which the oppositely propagating large-amplitude wave packets interact for a finite time, initiating turbulence. However, the extension to include compressive and kinetic effects, while maintaining the gross characteristics of the simpler classic formulation, also reveals intriguing features that go beyond the pure MHD treatment.

Thermodynamic properties of pressurized PH3 superconductor

Science.gov (United States)

Koka, S.; Rao, G. Venugopal

2018-05-01

The paper presents the superconducting thermodynamic functions determined for pressurized phosphorus trihydride (PH3). In particular, free energy difference ΔF, thermodynamic critical field Hc, specific heat etc. have been calculated using analytical expressions. The calculations were performed in the frame work of the strong-coupling formalism. The obtained dimensionless parameters: RΔ ≡ 2Δ(0)/kBTc, RC ≡ ΔC(Tc)/CN(Tc) and RH≡TcCN(Tc)/Hc2(0) are 4.05, 1.96 and 0.156 respectively, which significantly differ from the values arising from the BCS theory of superconductivity. The thermodynamic properties strongly depend on the depairing electron correlations and retardation effects.

The Theory of Thermodynamics for Chemical Reactions in Dispersed Heterogeneous Systems

Science.gov (United States)

Yongqiang; Baojiao; Jianfeng

1997-07-01

In this paper, the expressions of Gibbs energy change, enthalpy change, entropy change, and equilibrium constant for chemical reactions in dispersed heterogeneous systems are derived using classical thermodynamics theory. The thermodynamical relations for the same reaction system between the dispersed and the block state are also derived. The effects of degree of dispersion on thermodynamical properties, reaction directions, and chemical equilibria are discussed. The results show that the present equation of thermodynamics for chemical reactions is only a special case of the above-mentioned formulas and that the effect of the dispersity of a heterogeneous system on the chemical reaction obeys the Le Chatelier principle of movement of equilibria.

Thermodynamic theory of dislocation-enabled plasticity

International Nuclear Information System (INIS)

Langer, J. S.

2017-01-01

The thermodynamic theory of dislocation-enabled plasticity is based on two unconventional hypotheses. The first of these is that a system of dislocations, driven by external forces and irreversibly exchanging heat with its environment, must be characterized by a thermodynamically defined effective temperature that is not the same as the ordinary temperature. The second hypothesis is that the overwhelmingly dominant mechanism controlling plastic deformation is thermally activated depinning of entangled pairs of dislocations. This paper consists of a systematic reformulation of this theory followed by examples of its use in analyses of experimentally observed phenomena including strain hardening, grain-size (Hall-Petch) effects, yielding transitions, and adiabatic shear banding.

Towards a probabilistic definition of entropy: An investigation of the effects of a new curriculum on students' understanding of thermodynamics

Science.gov (United States)

Colon-Garcia, Evy B.

Thermodynamics is a vital tool in understanding why reactions happen; nevertheless, it is often considered a difficult topic. Prior studies have shown that students struggle with fundamental thermodynamic concepts such as entropy, enthalpy and Gibbs energy even in upper level physical chemistry courses. Thermodynamics, as a general chemistry topic, can be more math-intensive than other topics such as bonding or intermolecular forces. As a result, it is possible for students to get lost in the algorithms and overlook the important underlying theoretical concepts. Students' difficulties in understanding thermodynamics may be contributing to their inability to explain phenomena such as phase changes and manipulations of equilibrium systems. Current chemistry curricula split the thermodynamic chapters over a span of two semesters as well as splitting it over different units. This division fails to make explicit the connection between Enthalpy, Entropy and Gibbs Energy and how they affect how and why every reaction or process happens. The reason for this division of topics is not based on any educational research rather than opinions as to what will not overwhelm the students. Additionally, students who take only one semester of General Chemistry will leave without being instructed in what is considered to be one of the most fundamental concepts in Chemistry, Thermodynamics. Chemistry, Life, the Universe and Everything (CLUE) is a general chemistry course developed with the explicit goal of addressing the major obstacles that inhibit students from acquiring an appreciation and mastery of the chemical principles upon which other sciences depend. Using a control and treatment group, the effectiveness of this new curriculum was evaluated for two main aspects: 1. What is students' understanding of entropy?, 2. Can an alternative instructional approach to teaching Thermodynamics (Chemistry, Life, the Universe and Everything - CLUE) improve students' understanding of Entropy

Revisiting tourist behavior via destination brand worldness

Directory of Open Access Journals (Sweden)

Murat Kayak

2016-11-01

Full Text Available Taking tourists’ perspective rather than destination offerings as its core concept, this study introduces “perceived destination brand worldness” as a variable. Perceived destination brand worldness is defined as the positive perception that a tourist has of a country that is visited by tourists from all over the world. Then, the relationship between perceived destination brand worldness and intention to revisit is analyzed using partial least squares regression. This empirical study selects Taiwanese tourists as its sample, and the results show that perceived destination brand worldness is a direct predictor of intention to revisit. In light of these empirical findings and observations, practical and theoretical implications are discussed.

A Hamiltonian approach to Thermodynamics

Energy Technology Data Exchange (ETDEWEB)

Baldiotti, M.C., E-mail: baldiotti@uel.br [Departamento de Física, Universidade Estadual de Londrina, 86051-990, Londrina-PR (Brazil); Fresneda, R., E-mail: rodrigo.fresneda@ufabc.edu.br [Universidade Federal do ABC, Av. dos Estados 5001, 09210-580, Santo André-SP (Brazil); Molina, C., E-mail: cmolina@usp.br [Escola de Artes, Ciências e Humanidades, Universidade de São Paulo, Av. Arlindo Bettio 1000, CEP 03828-000, São Paulo-SP (Brazil)

2016-10-15

In the present work we develop a strictly Hamiltonian approach to Thermodynamics. A thermodynamic description based on symplectic geometry is introduced, where all thermodynamic processes can be described within the framework of Analytic Mechanics. Our proposal is constructed on top of a usual symplectic manifold, where phase space is even dimensional and one has well-defined Poisson brackets. The main idea is the introduction of an extended phase space where thermodynamic equations of state are realized as constraints. We are then able to apply the canonical transformation toolkit to thermodynamic problems. Throughout this development, Dirac’s theory of constrained systems is extensively used. To illustrate the formalism, we consider paradigmatic examples, namely, the ideal, van der Waals and Clausius gases. - Highlights: • A strictly Hamiltonian approach to Thermodynamics is proposed. • Dirac’s theory of constrained systems is extensively used. • Thermodynamic equations of state are realized as constraints. • Thermodynamic potentials are related by canonical transformations.

A Hamiltonian approach to Thermodynamics

International Nuclear Information System (INIS)

Baldiotti, M.C.; Fresneda, R.; Molina, C.

2016-01-01

In the present work we develop a strictly Hamiltonian approach to Thermodynamics. A thermodynamic description based on symplectic geometry is introduced, where all thermodynamic processes can be described within the framework of Analytic Mechanics. Our proposal is constructed on top of a usual symplectic manifold, where phase space is even dimensional and one has well-defined Poisson brackets. The main idea is the introduction of an extended phase space where thermodynamic equations of state are realized as constraints. We are then able to apply the canonical transformation toolkit to thermodynamic problems. Throughout this development, Dirac’s theory of constrained systems is extensively used. To illustrate the formalism, we consider paradigmatic examples, namely, the ideal, van der Waals and Clausius gases. - Highlights: • A strictly Hamiltonian approach to Thermodynamics is proposed. • Dirac’s theory of constrained systems is extensively used. • Thermodynamic equations of state are realized as constraints. • Thermodynamic potentials are related by canonical transformations.

The physical basis of thermodynamics with applications to chemistry

CERN Document Server

Richet, Pascal

2001-01-01

Given that thermodynamics books are not a rarity on the market, why would an additional one be useful? The answer is simple: at any level, thermodynamics is usually taught as a somewhat abstruse discipline where many students get lost in a maze of difficult concepts. However, thermodynamics is not as intricate a subject as most people feel. This book fills a niche between elementary textbooks and mathematically oriented treatises, and provides readers with a distinct approach to the subject. As indicated by the title, this book explains thermodynamic phenomena and concepts in physical terms before proceeding to focus on the requisite mathematical aspects. It focuses on the effects of pressure, temperature and chemical composition on thermodynamic properties and places emphasis on rapidly evolving fields such as amorphous materials, metastable phases, numerical simulations of microsystems and high-pressure thermodynamics. Topics like redox reactions are dealt with in less depth, due to the fact that there is a...

The Thermodynamics of Internal Combustion Engines: Examples of Insights

Directory of Open Access Journals (Sweden)

Jerald A. Caton

2018-05-01

Full Text Available A major goal of the development of internal combustion (IC engines continues to be higher performance and efficiencies. A major aspect of achieving higher performance and efficiencies is based on fundamental thermodynamics. Both the first and second laws of thermodynamics provide strategies for and limits to the thermal efficiencies of engines. The current work provides three examples of the insights that thermodynamics provides to the performance and efficiencies of an IC engine. The first example evaluates low heat rejection engine concepts, and, based on thermodynamics, demonstrates the difficulty of this concept for increasing efficiencies. The second example compares and contrasts the thermodynamics associated with external and internal exhaust gas dilution. Finally, the third example starts with a discussion of the Otto cycle analysis and explains why this is an incorrect model for the IC engine. An important thermodynamic property that is responsible for many of the observed effects is specific heat.

Treatise on irreversible and statistical thermodynamics an introduction to nonclassical thermodynamics

CERN Document Server

Yourgrau, Wolfgang; Raw, Gough

2002-01-01

Extensively revised edition of a much-respected work examines thermodynamics of irreversible processes, general principles of statistical thermodynamics, assemblies of noninteracting structureless particles, and statistical theory. 1966 edition.

High precision mass measurements in Ψ and Υ families revisited

International Nuclear Information System (INIS)

Artamonov, A.S.; Baru, S.E.; Blinov, A.E.

2000-01-01

High precision mass measurements in Ψ and Υ families performed in 1980-1984 at the VEPP-4 collider with OLYA and MD-1 detectors are revisited. The corrections for the new value of the electron mass are presented. The effect of the updated radiative corrections has been calculated for the J/Ψ(1S) and Ψ(2S) mass measurements [ru

Chemical Thermodynamics Vol. 12 - Chemical Thermodynamics of tin

International Nuclear Information System (INIS)

Gamsjaeger, Heinz; GAJDA, Tamas; Sangster, James; Saxena, Surendra K.; Voigt, Wolfgang; Perrone, Jane

2012-01-01

This is the 12th volume of a series of expert reviews of the chemical thermodynamics of key chemical elements in nuclear technology and waste management. This volume is devoted to the inorganic species and compounds of tin. The tables contained in Chapters III and IV list the currently selected thermodynamic values within the NEA TDB Project. The database system developed at the NEA Data Bank, see Section II.6, assures consistency among all the selected and auxiliary data sets. The recommended thermodynamic data are the result of a critical assessment of published information. The values in the auxiliary data set, see Tables IV-1 and IV-2, have been adopted from CODATA key values or have been critically reviewed in this or earlier volumes of the series

Effective-Medium Models for Marine Gas Hydrates, Mallik Revisited

Science.gov (United States)

Terry, D. A.; Knapp, C. C.; Knapp, J. H.

2011-12-01

Hertz-Mindlin type effective-medium dry-rock elastic models have been commonly used for more than three decades in rock physics analysis, and recently have been applied to assessment of marine gas hydrate resources. Comparisons of several effective-medium models with derivative well-log data from the Mackenzie River Valley, Northwest Territories, Canada (i.e. Mallik 2L-38 and 5L-38) were made several years ago as part of a marine gas hydrate joint industry project in the Gulf of Mexico. The matrix/grain supporting model (one of the five models compared) was clearly a better representation of the Mallik data than the other four models (2 cemented sand models; a pore-filling model; and an inclusion model). Even though the matrix/grain supporting model was clearly better, reservations were noted that the compressional velocity of the model was higher than the compressional velocity measured via the sonic logs, and that the shear velocities showed an even greater discrepancy. Over more than thirty years, variations of Hertz-Mindlin type effective medium models have evolved for unconsolidated sediments and here, we briefly review their development. In the past few years, the perfectly smooth grain version of the Hertz-Mindlin type effective-medium model has been favored over the infinitely rough grain version compared in the Gulf of Mexico study. We revisit the data from the Mallik wells to review assertions that effective-medium models with perfectly smooth grains are a better predictor than models with infinitely rough grains. We briefly review three Hertz-Mindlin type effective-medium models, and standardize nomenclature and notation. To calibrate the extended effective-medium model in gas hydrates, we use a well accepted framework for unconsolidated sediments through Hashin-Shtrikman bounds. We implement the previously discussed effective-medium models for saturated sediments with gas hydrates and compute theoretical curves of seismic velocities versus gas hydrate

Applied chemical engineering thermodynamics

CERN Document Server

Tassios, Dimitrios P

1993-01-01

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

Effects of a Structured Discharge Planning Program on Perceived Functional Status, Cardiac Self-efficacy, Patient Satisfaction, and Unexpected Hospital Revisits Among Filipino Cardiac Patients: A Randomized Controlled Study.

Science.gov (United States)

Cajanding, Ruff Joseph

Cardiovascular diseases remain the leading cause of morbidity and mortality among Filipinos and are responsible for a very large number of hospital readmissions. Comprehensive discharge planning programs have demonstrated positive benefits among various populations of patients with cardiovascular disease, but the clinical and psychosocial effects of such intervention among Filipino patients with acute myocardial infarction (AMI) have not been studied. In this study we aimed to determine the effectiveness of a nurse-led structured discharge planning program on perceived functional status, cardiac self-efficacy, patient satisfaction, and unexpected hospital revisits among Filipino patients with AMI. A true experimental (randomized control) 2-group design with repeated measures and data collected before and after intervention and at 1-month follow-up was used in this study. Participants were assigned to either the control (n = 68) or the intervention group (n = 75). Intervention participants underwent a 3-day structured discharge planning program implemented by a cardiovascular nurse practitioner, which is comprised of a series of individualized lecture-discussion, provision of feedback, integrative problem solving, goal setting, and action planning. Control participants received standard routine care. Measures of functional status, cardiac self-efficacy, and patient satisfaction were measured at baseline; cardiac self-efficacy and patient satisfaction scores were measured prior to discharge, and perceived functional status and number of revisits were measured 1 month after discharge. Participants in the intervention group had significant improvement in functional status, cardiac self-efficacy, and patient satisfaction scores at baseline and at follow-up compared with the control participants. Furthermore, participants in the intervention group had significantly fewer hospital revisits compared with those who received only standard care. The results demonstrate that a

Revisiting Inter-Genre Similarity

DEFF Research Database (Denmark)

Sturm, Bob L.; Gouyon, Fabien

2013-01-01

We revisit the idea of ``inter-genre similarity'' (IGS) for machine learning in general, and music genre recognition in particular. We show analytically that the probability of error for IGS is higher than naive Bayes classification with zero-one loss (NB). We show empirically that IGS does...... not perform well, even for data that satisfies all its assumptions....

A Hydrostatic Paradox Revisited

Science.gov (United States)

Ganci, Salvatore

2012-01-01

This paper revisits a well-known hydrostatic paradox, observed when turning upside down a glass partially filled with water and covered with a sheet of light material. The phenomenon is studied in its most general form by including the mass of the cover. A historical survey of this experiment shows that a common misunderstanding of the phenomenon…

THE INFLUENCE OF DESTINATION IMAGE AND TOURIST SATISFACTION TOWARD REVISIT INTENTION OF SETU BABAKAN BETAWI CULTURAL VILLAGE

OpenAIRE

Wibowo, Setyo Ferry; Sazali, Adnan; Kresnamurti R. P., Agung

2016-01-01

The purpose of this research are: 1) To find out the description of destination image, tourist satisfaction, and revisit intention of Betawi cultural village Setu Babakan, 2) test empirically the influence of destination image toward revisit intention of Betawi cultural village Setu Babakan, 3) test empirically the influence of tourist satisfaction toward revisit intention of Betawi cultural village Setu Babakan, 4) test empirically the influence of destination image toward revisit intention ...

A Thermodynamical Theory with Internal Variables Describing Thermal Effects in Viscous Fluids

Science.gov (United States)

Ciancio, Vincenzo; Palumbo, Annunziata

2018-04-01

In this paper the heat conduction in viscous fluids is described by using the theory of classical irreversible thermodynamics with internal variables. In this theory, the deviation from the local equilibrium is characterized by vectorial internal variables and a generalized entropy current density expressed in terms of so-called current multipliers. Cross effects between heat conduction and viscosity are also considered and some phenomenological generalizations of Fourier's and Newton's laws are obtained.

Thermodynamics of nuclear materials

International Nuclear Information System (INIS)

Rand, M.H.

1975-01-01

A report is presented of the Fourth International Symposium on Thermodynamics of Nuclear Materials held in Vienna, 21-25 October 1974. The technological theme of the Symposium was the application of thermodynamics to the understanding of the chemistry of irradiated nuclear fuels and to safety assessments for hypothetical accident conditions in reactors. The first four sessions were devoted to these topics and they were followed by four more sessions on the more basic thermodynamics, phase diagrams and the thermodynamic properties of a wide range of nuclear materials. Sixty-seven papers were presented

Seven Issues, Revisited

OpenAIRE

Whitehead, Jim; De Bra, Paul; Grønbæk, Kaj; Larsen, Deena; Legget, John; schraefel, monica m.c.

2002-01-01

It has been 15 years since the original presentation by Frank Halasz at Hypertext'87 on seven issues for the next generation of hypertext systems. These issues are: Search and Query Composites Virtual Structures Computation in/over hypertext network Versioning Collaborative Work Extensibility and Tailorability Since that time, these issues have formed the nucleus of multiple research agendas within the Hypertext community. Befitting this direction-setting role, the issues have been revisited ...

'Felson Signs' revisited

International Nuclear Information System (INIS)

George, Phiji P.; Irodi, Aparna; Keshava, Shyamkumar N.; Lamont, Anthony C.

2014-01-01

In this article we revisit, with the help of images, those classic signs in chest radiography described by Dr Benjamin Felson himself, or other illustrious radiologists of his time, cited and discussed in 'Chest Roentgenology'. We briefly describe the causes of the signs, their utility and the differential diagnosis to be considered when each sign is seen. Wherever possible, we use CT images to illustrate the basis of some of these classic radiographic signs.

Thermodynamic Properties and Thermodynamic Geometries of Black p-Branes

International Nuclear Information System (INIS)

Yi-Huan Wei; Xiao Cui; Jia-Xin Zhao

2016-01-01

The heat capacity and the electric capacitance of the black p-branes (BPB) are generally defined, then they are calculated for some special processes. It is found that the Ruppeiner thermodynamic geometry of BPB is flat. Finally, we give some discussions for the flatness of the Ruppeiner thermodynamic geometry of BPB and some black holes. (paper)

Effects of chemical structure on the thermodynamic efficiency of radical chain carriers for organic synthesis.

Science.gov (United States)

Lin, Ching Yeh; Peh, Jessie; Coote, Michelle L

2011-03-18

The chain carrier index (CCI), defined as the ratio of the bond dissociation free energies (BDFE) of corresponding chain carrier halides and hydrides, is proposed as a measure of the thermodynamic efficiency of chain carriers for radical dehalogenation. The larger this value is relative to the corresponding value of the organic substrate, the more thermodynamically efficient the process. The chloride and bromide CCIs were evaluated at the G3(MP2)-RAD(+) level of theory for 120 different R-groups, covering a broad range of carbon-centered and noncarbon-centered species; the effects of solvent and temperature have also been studied. The broad finding from this work is that successful chain carriers generally maximize the strength of their halide (versus hydride bonds) through charge-shift bonding. As a result, the thermodynamic efficiency of a chain carrier tends to increase down the periodic table, and also with the inclusion of stronger electron donating substituents. The CCIs of carbon-centered species fall into a relatively narrow range so that, even when the CCI is maximized through inclusion of lone pair donor OMe or NMe(2) groups, the thermodynamic driving force for dehalogenation of other organic substrates is modest at best, and the process is likely to be kinetically hampered. Among the noncarbon-centered species studied, bismuth- and borane-centered compounds have some of the highest CCI values and, although their kinetics requires further optimization, these classes of compounds would be worth further investigation as tin-free radical reducing agents.

THE INFLUENCE OF DESTINATION IMAGE AND TOURIST SATISFACTION TOWARD REVISIT INTENTION OF SETU BABAKAN BETAWI CULTURAL VILLAGE

Directory of Open Access Journals (Sweden)

Setyo Ferry Wibowo

2016-04-01

Full Text Available The purpose of this research are: 1 To find out the description of destination image, tourist satisfaction, and revisit intention of Betawi cultural village Setu Babakan, 2 test empirically the influence of destination image toward revisit intention of Betawi cultural village Setu Babakan, 3 test empirically the influence of tourist satisfaction toward revisit intention of Betawi cultural village Setu Babakan, 4 test empirically the influence of destination image toward revisit intention of Betawi cultural village Setu Babakan. The object of this research was 200 respondents who have ever visit to Betawi cultural village Setu Babakan at one time. The results of descriptive test explained that the destination image provided is good according to the tourist, so that the tourist is satisfied and want to revisit intention of Betawi cultural village Setu Babakan. The hypothesis test shows: 1 the influence of destination image toward revisit intention by -30%, 2 the influence of tourist satisfaction toward revisit intention by 118%, 3 the influence of destination image toward tourist satisfaction by 92%.

The thermodynamic-buffer enzymes.

Science.gov (United States)

Stucki, J W

1980-08-01

Oxidative phosphorylation operates at optimal efficiency if and only if the condition of conductance matching L33/L11 = square root 1-q2 is fulfilled. In this relation L11 is the phenomenological conductance of phosphorylation, L33 the phenomenological conductance of the load, i.e. the irreversible ATP-utilizing processes in the cell, and q the degree of coupling of oxidative phosphorylation driven by respiration. Since during short time intervals L11 and q are constant whereas L33 fluctuates in the cell, oxidative phosphorylation would only rarely operate at optimal efficiency due to violation of conductance matching. This paper demonstrates that the reversible ATP-utilizing reaction catalyzed by adenylate kinase can effectively compensate deviations from conductance matching in the presence of a fluctuating L33 and hence allows oxidative phosphorylation to operate at optimal efficiency in the cell. Since the adenylate kinase reaction was found to buffer a thermodynamic potential, i.e. the phosphate potential, this finding was generalized to the concept of thermodynamic buffering. The thermodynamic buffering ability of the adenylate kinase reaction was demonstrated by experiments with incubated rat-liver mitochondria. Considerations of changes introduced in the entropy production by the adenylate kinase reaction allowed to establish the theoretical framework for thermodynamic buffering. The ability of thermodynamic buffering to compensate deviations from conductance matching in the presence of fluctuating loads was demonstrated by computer simulations. The possibility of other reversible ATP-utilizing reactions, like the ones catalyzed by creatine kinase and arginine kinase, to contribute to thermodynamic buffering is discussed. Finally, the comparison of the theoretically calculated steady-stae cytosolic adenine nucleotide concentrations with experimental data from perfused livers demonstrated that in livers from fed rats conductance matching is fulfilled on a

Analysis of water sorption isotherms of amorphous food materials by solution thermodynamics with relevance to glass transition: evaluation of plasticizing effect of water by the thermodynamic parameters.

Science.gov (United States)

Shimazaki, Eriko; Tashiro, Akiko; Kumagai, Hitomi; Kumagai, Hitoshi

2017-04-01

Relation between the thermodynamic parameters obtained from water sorption isotherms and the degree of reduction in the glass transition temperature (T g ), accompanied by water sorption, was quantitatively studied. Two well-known glassy food materials namely, wheat gluten and maltodextrin were used as samples. The difference between the chemical potential of water in a solution and that of pure water ([Formula: see text]), the difference between the chemical potential of solid in a solution and that of a pure solid ([Formula: see text]), and the change in the integral Gibbs free energy ([Formula: see text]) were obtained by analyzing the water sorption isotherms using solution thermodynamics. The parameter [Formula: see text] correlated well with ΔT g (≡T g  - T g0 ; where T g0 is the glass transition temperature of dry material), which had been taken to be an index of plasticizing effect. This indicates that plasticizing effect of water on foods can be evaluated through the parameter [Formula: see text].

General thermodynamics

CERN Document Server

Olander, Donald

2007-01-01

The book’s methodology is unified, concise, and multidisciplinary, allowing students to understand how the principles of thermodynamics apply to all technical fields that touch upon this most fundamental of scientific theories. It also offers a rigorous approach to the quantitative aspects of thermodynamics, accompanied by clear explanations to help students transition smoothly from the physical concepts to their mathematical representations

Nonequilibrium thermodynamics and energy efficiency in weight loss diets

Directory of Open Access Journals (Sweden)

Fine Eugene J

2007-07-01

Full Text Available Abstract Carbohydrate restriction as a strategy for control of obesity is based on two effects: a behavioral effect, spontaneous reduction in caloric intake and a metabolic effect, an apparent reduction in energy efficiency, greater weight loss per calorie consumed. Variable energy efficiency is established in many contexts (hormonal imbalance, weight regain and knock-out experiments in animal models, but in the area of the effect of macronutrient composition on weight loss, controversy remains. Resistance to the idea comes from a perception that variable weight loss on isocaloric diets would somehow violate the laws of thermodynamics, that is, only caloric intake is important ("a calorie is a calorie". Previous explanations of how the phenomenon occurs, based on equilibrium thermodynamics, emphasized the inefficiencies introduced by substrate cycling and requirements for increased gluconeogenesis. Living systems, however, are maintained far from equilibrium, and metabolism is controlled by the regulation of the rates of enzymatic reactions. The principles of nonequilibrium thermodynamics which emphasize kinetic fluxes as well as thermodynamic forces should therefore also be considered. Here we review the principles of nonequilibrium thermodynamics and provide an approach to the problem of maintenance and change in body mass by recasting the problem of TAG accumulation and breakdown in the adipocyte in the language of nonequilibrium thermodynamics. We describe adipocyte physiology in terms of cycling between an efficient storage mode and a dissipative mode. Experimentally, this is measured in the rate of fatty acid flux and fatty acid oxidation. Hormonal levels controlled by changes in dietary carbohydrate regulate the relative contributions of the efficient and dissipative parts of the cycle. While no experiment exists that measures all relevant variables, the model is supported by evidence in the literature that 1 dietary carbohydrate, via its

A commentary on thermodynamics

CERN Document Server

Day, William Alan

1988-01-01

The aim of this book is to comment on, and clarify, the mathematical aspects of the theory of thermodynamics. The standard presentations of the subject are often beset by a number of obscurities associated with the words "state", "reversible", "irreversible", and "quasi-static". This book is written in the belief that such obscurities are best removed not by the formal axiomatization of thermodynamics, but by setting the theory in the wider context of a genuine field theory which incorporates the effects of heat conduction and intertia, and proving appropriate results about the governing differential equations of this field theory. Even in the simplest one-dimensional case it is a nontrivial task to carry through the details of this program, and many challenging problems remain open.

Non-equilibrium thermodynamics

CERN Document Server

De Groot, Sybren Ruurds

1984-01-01

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

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

Modern engineering thermodynamics

CERN Document Server

Balmer, Robert T

2010-01-01

Designed for use in a standard two-semester engineering thermodynamics course sequence. The first half of the text contains material suitable for a basic Thermodynamics course taken by engineers from all majors. The second half of the text is suitable for an Applied Thermodynamics course in mechanical engineering programs. The text has numerous features that are unique among engineering textbooks, including historical vignettes, critical thinking boxes, and case studies. All are designed to bring real engineering applications into a subject that can be somewhat abstract and mathematica

Thermodynamics in rotating systems—analysis of selected examples

International Nuclear Information System (INIS)

Güémez, J; Fiolhais, M

2014-01-01

We solve a set of selected exercises on rotational motion requiring a mechanical and thermodynamical analysis. When non-conservative forces or thermal effects are present, a complete study must use the first law of thermodynamics together with Newton’s second law. The latter is here better expressed in terms of an ‘angular’ impulse–momentum equation (Poinsot–Euler equation), or, equivalently, in terms of a ‘rotational’ pseudo-work–energy equation. Thermodynamical aspects in rotational systems, when e.g. frictional forces are present or when there is a variation of the rotational kinetic energy due to internal sources of energy, are discussed. (paper)

Quantum corrections to thermodynamics of quasitopological black holes

Directory of Open Access Journals (Sweden)

Sudhaker Upadhyay

2017-12-01

Full Text Available Based on the modification to area-law due to thermal fluctuation at small horizon radius, we investigate the thermodynamics of charged quasitopological and charged rotating quasitopological black holes. In particular, we derive the leading-order corrections to the Gibbs free energy, charge and total mass densities. In order to analyze the behavior of the thermal fluctuations on the thermodynamics of small black holes, we draw a comparative analysis between the first-order corrected and original thermodynamical quantities. We also examine the stability and bound points of such black holes under effect of leading-order corrections.

Leadership and Management Theories Revisited

DEFF Research Database (Denmark)

Madsen, Mona Toft

2001-01-01

The goal of the paper is to revisit and analyze key contributions to the understanding of leadership and management. As a part of the discussion a role perspective that allows for additional and/or integrated leader dimensions, including a change-centered, will be outlined. Seemingly, a major...

Fragile Thermodynamic Order

International Nuclear Information System (INIS)

Bernhoeft, N.; Lander, G.H.; Colineau, E.

2003-01-01

An asymmetric shift in the position of the magnetic Bragg peak with respect to the fiducial lattice has been observed by resonant X-ray scattering in a diverse series of antiferromagnetic compounds. This apparent violation of Bragg's law is interpreted in terms of a dynamically phased order parameter. We demonstrate the use of this effect as a novel probe of fragile or dynamic thermodynamic order in strongly correlated electronic systems. In particular, fresh light is shed on the paradoxical situation encountered in URu 2 Si 2 where the measured entropy gain on passing through T Neel is incompatible with the ground state moment estimated by neutron diffraction. The intrinsic space-time averaging of the probe used to characterise the thermodynamic macroscopic state may play a crucial and previously neglected role. In turn, this suggests the further use of resonant X-ray scattering in investigations of systems dominated by quantum fluctuations. (author)

Thermodynamics of de Sitter black holes: Thermal cosmological constant

International Nuclear Information System (INIS)

Sekiwa, Y.

2006-01-01

We study the thermodynamic properties associated with the black hole event horizon and the cosmological horizon for black hole solutions in asymptotically de Sitter spacetimes. We examine thermodynamics of these horizons on the basis of the conserved charges according to Teitelboim's method. In particular, we have succeeded in deriving the generalized Smarr formula among thermodynamical quantities in a simple and natural way. We then show that cosmological constant must decrease when one takes into account the quantum effect. These observations have been obtained if and only if the cosmological constant plays the role of a thermodynamical state variable. We also touch upon the relation between inflation of our universe and a phase transition of black holes

Nonequilibrium Thermodynamics of Driven Disordered Materials

Science.gov (United States)

Bouchbinder, Eran

2011-03-01

We present a nonequilibrium thermodynamic framework for describing the dynamics of driven disordered solids (noncrystalline solids near and below their glass temperature, soft glassy materials such as colloidal suspensions and heavily dislocated polycrystalline solids). A central idea in our approach is that the set of mechanically stable configurations, i.e. the part of the system that is described by inherent structures, evolves slowly as compared to thermal vibrations and is characterized by an effective disorder temperature. Our thermodynamics-motivated equations of motion for the flow of energy and entropy are supplemented by coarse-grained internal variables that carry information about the relevant microscopic physics. Applications of this framework to amorphous visco-plasticity (Shear-Transformation-Zone theory), glassy memory effects (the Kovacs effect) and dislocation-mediated polycrystalline plasticity will be briefly discussed.

Black hole thermodynamics based on unitary evolutions

International Nuclear Information System (INIS)

Feng, Yu-Lei; Chen, Yi-Xin

2015-01-01

In this paper, we try to construct black hole thermodynamics based on the fact that the formation and evaporation of a black hole can be described by quantum unitary evolutions. First, we show that the Bekenstein–Hawking entropy S BH may not be a Boltzmann or thermal entropy. To confirm this statement, we show that the original black hole's ‘first law’ may not simply be treated as the first law of thermodynamics formally, due to some missing metric perturbations caused by matter. Then, by including those (quantum) metric perturbations, we show that the black hole formation and evaporation can be described effectively in a unitary manner, through a quantum channel between the exterior and interior of the event horizon. In this way, the paradoxes of information loss and firewall can be resolved effectively. Finally, we show that black hole thermodynamics can be constructed in an ordinary way, by constructing statistical mechanics. (paper)

Schroedinger's variational method of quantization revisited

International Nuclear Information System (INIS)

Yasue, K.

1980-01-01

Schroedinger's original quantization procedure is revisited in the light of Nelson's stochastic framework of quantum mechanics. It is clarified why Schroedinger's proposal of a variational problem led us to a true description of quantum mechanics. (orig.)

Thermodynamics I essentials

CERN Document Server

REA, The Editors of

2012-01-01

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 I includes review of properties and states of a pure substance, work and heat, energy and the first law of thermodynamics, entropy and the second law of thermodynamics

Effect of temperature on microbial growth rate - thermodynamic analysis, the arrhenius and eyring-polanyi connection

Science.gov (United States)

The objective of this work is to develop a new thermodynamic mathematical model for evaluating the effect of temperature on the rate of microbial growth. The new mathematical model is derived by combining the Arrhenius equation and the Eyring-Polanyi transition theory. The new model, suitable for ...

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

Thermodynamic activity-based intrinsic enzyme kinetic sheds light on enzyme-solvent interactions.

Science.gov (United States)

Grosch, Jan-Hendrik; Wagner, David; Nistelkas, Vasilios; Spieß, Antje C

2017-01-01

The reaction medium has major impact on biocatalytic reaction systems and on their economic significance. To allow for tailored medium engineering, thermodynamic phenomena, intrinsic enzyme kinetics, and enzyme-solvent interactions have to be discriminated. To this end, enzyme reaction kinetic modeling was coupled with thermodynamic calculations based on investigations of the alcohol dehydrogenase from Lactobacillus brevis (LbADH) in monophasic water/methyl tert-butyl ether (MTBE) mixtures as a model solvent. Substrate concentrations and substrate thermodynamic activities were varied separately to identify the individual thermodynamic and kinetic effects on the enzyme activity. Microkinetic parameters based on concentration and thermodynamic activity were derived to successfully identify a positive effect of MTBE on the availability of the substrate to the enzyme, but a negative effect on the enzyme performance. In conclusion, thermodynamic activity-based kinetic modeling might be a suitable tool to initially curtail the type of enzyme-solvent interactions and thus, a powerful first step to potentially understand the phenomena that occur in nonconventional media in more detail. © 2016 American Institute of Chemical Engineers Biotechnol. Prog., 33:96-103, 2017. © 2016 American Institute of Chemical Engineers.

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.

Revisiting kaon physics in general Z scenario

Directory of Open Access Journals (Sweden)

Motoi Endo

2017-08-01

Full Text Available New physics contributions to the Z penguin are revisited in the light of the recently-reported discrepancy of the direct CP violation in K→ππ. Interference effects between the standard model and new physics contributions to ΔS=2 observables are taken into account. Although the effects are overlooked in the literature, they make experimental bounds significantly severer. It is shown that the new physics contributions must be tuned to enhance B(KL→π0νν¯, if the discrepancy of the direct CP violation is explained with satisfying the experimental constraints. The branching ratio can be as large as 6×10−10 when the contributions are tuned at the 10% level.

Energy effects on the structure and thermodynamic properties of nanoconfined fluids (a density functional theory study).

Science.gov (United States)

Keshavarzi, Ezat; Kamalvand, Mohammad

2009-04-23

The structure and properties of fluids confined in nanopores may show a dramatic departure from macroscopic bulk fluids. The main reason for this difference lies in the influence of system walls. In addition to the entropic wall effect, system walls can significantly change the energy of the confined fluid compared to macroscopic bulk fluids. The energy effect of the walls on a nanoconfined fluid appears in two forms. The first effect is the cutting off of the intermolecular interactions by the walls, which appears for example in the integrals for calculation of the thermodynamic properties. The second wall effect involves the wall-molecule interactions. In such confined fluids, the introduction of wall forces and the competition between fluid-wall and fluid-fluid forces could lead to interesting thermodynamic properties, including new kinds of phase transitions not observed in the macroscopic fluid systems. In this article, we use the perturbative fundamental measure density functional theory to study energy effects on the structure and properties of a hard core two-Yukawa fluid confined in a nanoslit. Our results show the changes undergone by the structure and phase transition of the nanoconfined fluids as a result of energy effects.

A practical method of predicting client revisit intention in a hospital setting.

Science.gov (United States)

Lee, Kyun Jick

2005-01-01

Data mining (DM) models are an alternative to traditional statistical methods for examining whether higher customer satisfaction leads to higher revisit intention. This study used a total of 906 outpatients' satisfaction data collected from a nationwide survey interviews conducted by professional interviewers on a face-to-face basis in South Korea, 1998. Analyses showed that the relationship between overall satisfaction with hospital services and outpatients' revisit intention, along with word-of-mouth recommendation as intermediate variables, developed into a nonlinear relationship. The five strongest predictors of revisit intention were overall satisfaction, intention to recommend to others, awareness of hospital promotion, satisfaction with physician's kindness, and satisfaction with treatment level.

Thermodynamics and statistical mechanics

CERN Document Server

Landsberg, Peter T

1990-01-01

Exceptionally articulate treatment combines precise mathematical style with strong physical intuition. Wide range of applications includes negative temperatures, negative heat capacities, special and general relativistic effects, black hole thermodynamics, gravitational collapse, more. Over 100 problems with worked solutions. Advanced undergraduate, graduate level. Table of applications. Useful formulas and other data.

Thermodynamics an engineering approach

CERN Document Server

Cengel, Yunus A

2014-01-01

Thermodynamics, An Engineering Approach, eighth edition, covers the basic principles of thermodynamics while presenting a wealth of real-world engineering examples so students get a feel for how thermodynamics is applied in engineering practice. This text helps students develop an intuitive understanding by emphasizing the physics and physical arguments. Cengel and Boles explore the various facets of thermodynamics through careful explanations of concepts and use of numerous practical examples and figures, having students develop necessary skills to bridge the gap between knowledge and the confidence to properly apply their knowledge. McGraw-Hill is proud to offer Connect with the eighth edition of Cengel/Boles, Thermodynamics, An Engineering Approach. This innovative and powerful new system helps your students learn more efficiently and gives you the ability to assign homework problems simply and easily. Problems are graded automatically, and the results are recorded immediately. Track individual stude...

Revisiting coupled Shukla-Varma and convective cell mode in classical and quantum dusty magnetoplasmas

Science.gov (United States)

Masood, W.; Mirza, Arshad M.; Nargis, Shahida

2010-08-01

The coupled Shukla-Varma (SV) and convective cell mode is revisited in classical and quantum dusty magnetoplasmas. It is shown that the inclusion of electron thermal effects modifies the original coupled SV and convective cell mode. It is also discussed how the quantum effects can be incorporated in the coupled SV and convective cell mode.

Re-visiting RHIC snakes: OPERA fields, n₀ dance

Energy Technology Data Exchange (ETDEWEB)

Meot, F. [Brookhaven National Lab. (BNL), Upton, NY (United States); Gupta, R. [Brookhaven National Lab. (BNL), Upton, NY (United States); Huang, H. [Brookhaven National Lab. (BNL), Upton, NY (United States); Ranjbar, V. [Brookhaven National Lab. (BNL), Upton, NY (United States); Robert-Demolaize, G. [Brookhaven National Lab. (BNL), Upton, NY (United States)

2017-09-22

In this Tech. Note RHIC snakes and stable spin direction $\\vector{n}$₀(s) are re-visited, based on OPERA-computed field maps of the former. The numerical simulations so undertaken provide various outcomes regarding RHIC optics and spin dynamics, in relation with orbital and focusing effects resulting from the use of this realistic 3-D representation of the snakes.

Life quality index revisited

DEFF Research Database (Denmark)

Ditlevsen, Ove Dalager

2004-01-01

The derivation of the life quality index (LQI) is revisited for a revision. This revision takes into account the unpaid but necessary work time needed to stay alive in clean and healthy conditions to be fit for effective wealth producing work and to enjoyable free time. Dimension analysis...... at birth should not vary between countries. Finally the distributional assumptions are relaxed as compared to the assumptions made in an earlier work by the author. These assumptions concern the calculation of the life expectancy change due to the removal of an accident source. Moreover a simple public...... consistency problems with the standard power function expression of the LQI are pointed out. It is emphasized that the combination coefficient in the convex differential combination between the relative differential of the gross domestic product per capita and the relative differential of the expected life...

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).

Thermodynamical motivation of the Polish energy policy

Directory of Open Access Journals (Sweden)

Ziębik Andrzej

2013-02-01

Full Text Available Basing on the first and second law of thermodynamics the fundamental trends in the Polish energy policy are analysed, including the aspects of environmental protection. The thermodynamical improvement of real processes (reduction of exergy losses is the main way leading to an improvement of the effectivity of energy consumption. If the exergy loss is economically not justified, we have to do with an error from the viewpoint of the second law analysis. The paper contains a thermodynamical analysis of the ratio of final and primary energy, as well as the analysis of the thermo-ecological cost and index of sustainable development concerning primary energy. Analyses of thermo-ecological costs concerning electricity and centralized heat production have been also carried out. The effect of increasing the share of high-efficiency cogeneration has been analyzed, too. Attention has been paid to an improved efficiency of the transmission and distribution of electricity, which is of special importance from the viewpoint of the second law analysis. The improvement of the energy effectivity in industry was analyzed on the example of physical recuperation, being of special importance from the point of view of exergy analysis.

Thermodynamic behavior and enhanced magnetocaloric effect in a frustrated spin-1/2 Ising-Heisenberg triangular tube

Science.gov (United States)

Alécio, Raphael Cavalcante; Strečka, Jozef; Lyra, Marcelo L.

2018-04-01

The thermodynamic behavior of an Ising-Heisenberg triangular tube with Heisenberg intra-rung and Ising inter-rung interactions is exactly obtained in an external magnetic field within the framework of the transfer-matrix method. We report rigorous results for the temperature dependence of the magnetization, entropy, pair correlations and specific heat, as well as typical iso-entropic curves. The discontinuous field-driven ground-state phase transitions are reflected in some anomalous thermodynamic behavior as for instance a striking low-temperature peak of the specific heat and an enhanced magnetocaloric effect. It is demonstrated that the intermediate magnetization plateaus shrink in and the relevant sharp edges associated with the magnetization jump round off upon increasing temperature.

Equilibrium thermodynamics - Callen's postulational approach

NARCIS (Netherlands)

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

2001-01-01

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

Revisiting fifth forces in the Galileon model

Energy Technology Data Exchange (ETDEWEB)

Burrage, Clare [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany). Gruppe Theorie; Seery, David [Sussex Univ., Brighton (United Kingdom). Dept. of Physics and Astronomy

2010-05-15

A Galileon field is one which obeys a spacetime generalization of the non- relativistic Galilean invariance. Such a field may possess non-canonical kinetic terms, but ghost-free theories with a well-defined Cauchy problem exist, constructed using a finite number of relevant operators. The interactions of this scalar with matter are hidden by the Vainshtein effect, causing the Galileon to become weakly coupled near heavy sources. We revisit estimates of the fifth force mediated by a Galileon field, and show that the parameters of the model are less constrained by experiment than previously supposed. (orig.)

Constitution and thermodynamics of Pt-La alloys

International Nuclear Information System (INIS)

Reimann, S.; Schaller, H.-J.

2006-01-01

A complete set of thermodynamic functions was determined for the Pt-La system from electromotive force measurements on galvanic cells in the temperature range from 923 to 1073 K using CaF 2 single crystals as solid electrolytes. The phases on the platinum-rich side show pronounced negative deviations from ideal mixing behaviour; at 1073 K and infinite dilution, for instance, the relative partial excess Gibbs energy of La was determined to be -315 kJ/mol. Two effects are discussed to account for the deviations from ideal mixing behaviour: the transfer of the valence electrons of La to the electron gas of the alloy and the lattice distortion brought about by the size difference of the components. The phase relations were investigated by means of thermal, and X-ray analyses. The thermodynamic description of the system was optimized using experimental data from the present thermodynamic and phase diagram work. The calculated thermodynamic functions as well as the calculated phase diagram turned out to be in excellent accordance with the experimental results

Magnetic field effects of tow-leg Heisenberg antiferromagnetic ladders: Thermodynamic properties

International Nuclear Information System (INIS)

Wang Xiaoqun; Yu Lu

2000-05-01

Using the recently developed transfer-matrix renormalization group method, we have studied the thermodynamic properties of two-leg antiferromagnetic ladders in the magnetic field. Based on different behavior of magnetization, we found disordered spin liquid, Luttinger liquid, spin-polarized phases and a classical regime depending on magnetic field and temperature. Our calculations in Luttinger liquid regime suggest that both the divergence of the NMR relaxation rate and the anomalous specific heat behavior observed on Cu 2 (C 5 H 12 N 2 ) 2 Cl 4 are due to quasi-one-dimensional effect rather than three-dimensional ordering. (author)

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)

Time and Thermodynamics

CERN Document Server

Kirkland, Kyle

2007-01-01

Temperature is vital to the health and welfare of all living beings, and Earth's temperature varies considerably from place to place. Early humans could only live in warm areas such as the tropics. Although modern humans have the technology to keep their houses and offices warm even in cold environments, the growth and development of civilization has created unintentional effects. Cities are warmer than their surrounding regions, and on a global scale, Earth is experiencing rising temperatures. Thus, the science of thermodynamics offers an important tool to study these effects. "Time and

For effective thermodynamic calculation of turbines flow-through by gas and steam

Energy Technology Data Exchange (ETDEWEB)

Fischer, S; Hultsch, M

1982-03-01

A programme system for the medium and multiple section calculation of axial-flow turbines is explained. It allows calculations of turbine flow-through by gas and steam at designing and partial load states. The algorithms are independent upon the formulation of thermodynamic function, so that the programmes can be used for any means of production. The highest accuracy and efficiency can be guaranteed by the use of formulations of thermodynamic functions of water.

Universal relation for size dependent thermodynamic properties of metallic nanoparticles.

Science.gov (United States)

Xiong, Shiyun; Qi, Weihong; Cheng, Yajuan; Huang, Baiyun; Wang, Mingpu; Li, Yejun

2011-06-14

The previous model on surface free energy has been extended to calculate size dependent thermodynamic properties (i.e., melting temperature, melting enthalpy, melting entropy, evaporation temperature, Curie temperature, Debye temperature and specific heat capacity) of nanoparticles. According to the quantitative calculation of size effects on the calculated thermodynamic properties, it is found that most thermodynamic properties of nanoparticles vary linearly with 1/D as a first approximation. In other words, the size dependent thermodynamic properties P(n) have the form of P(n) = P(b)(1 -K/D), in which P(b) is the corresponding bulk value and K is the material constant. This may be regarded as a scaling law for most of the size dependent thermodynamic properties for different materials. The present predictions are consistent literature values. This journal is © the Owner Societies 2011

Thermodynamic forces in coarse-grained simulations

Science.gov (United States)

Noid, William

Atomically detailed molecular dynamics simulations have profoundly advanced our understanding of the structure and interactions in soft condensed phases. Nevertheless, despite dramatic advances in the methodology and resources for simulating atomically detailed models, low-resolution coarse-grained (CG) models play a central and rapidly growing role in science. CG models not only empower researchers to investigate phenomena beyond the scope of atomically detailed simulations, but also to precisely tailor models for specific phenomena. However, in contrast to atomically detailed simulations, which evolve on a potential energy surface, CG simulations should evolve on a free energy surface. Therefore, the forces in CG models should reflect the thermodynamic information that has been eliminated from the CG configuration space. As a consequence of these thermodynamic forces, CG models often demonstrate limited transferability and, moreover, rarely provide an accurate description of both structural and thermodynamic properties. In this talk, I will present a framework that clarifies the origin and impact of these thermodynamic forces. Additionally, I will present computational methods for quantifying these forces and incorporating their effects into CG MD simulations. As time allows, I will demonstrate applications of this framework for liquids, polymers, and interfaces. We gratefully acknowledge the support of the National Science Foundation via CHE 1565631.

The effect of particle size on the morphology and thermodynamics of diblock copolymer/tethered-particle membranes

International Nuclear Information System (INIS)

Zhang, Bo; Edwards, Brian J.

2015-01-01

A combination of self-consistent field theory and density functional theory was used to examine the effect of particle size on the stable, 3-dimensional equilibrium morphologies formed by diblock copolymers with a tethered nanoparticle attached either between the two blocks or at the end of one of the blocks. Particle size was varied between one and four tenths of the radius of gyration of the diblock polymer chain for neutral particles as well as those either favoring or disfavoring segments of the copolymer blocks. Phase diagrams were constructed and analyzed in terms of thermodynamic diagrams to understand the physics associated with the molecular-level self-assembly processes. Typical morphologies were observed, such as lamellar, spheroidal, cylindrical, gyroidal, and perforated lamellar, with the primary concentration region of the tethered particles being influenced heavily by particle size and tethering location, strength of the particle-segment energetic interactions, chain length, and copolymer radius of gyration. The effect of the simulation box size on the observed morphology and system thermodynamics was also investigated, indicating possible effects of confinement upon the system self-assembly processes

The effect of particle size on the morphology and thermodynamics of diblock copolymer/tethered-particle membranes.

Science.gov (United States)

Zhang, Bo; Edwards, Brian J

2015-06-07

A combination of self-consistent field theory and density functional theory was used to examine the effect of particle size on the stable, 3-dimensional equilibrium morphologies formed by diblock copolymers with a tethered nanoparticle attached either between the two blocks or at the end of one of the blocks. Particle size was varied between one and four tenths of the radius of gyration of the diblock polymer chain for neutral particles as well as those either favoring or disfavoring segments of the copolymer blocks. Phase diagrams were constructed and analyzed in terms of thermodynamic diagrams to understand the physics associated with the molecular-level self-assembly processes. Typical morphologies were observed, such as lamellar, spheroidal, cylindrical, gyroidal, and perforated lamellar, with the primary concentration region of the tethered particles being influenced heavily by particle size and tethering location, strength of the particle-segment energetic interactions, chain length, and copolymer radius of gyration. The effect of the simulation box size on the observed morphology and system thermodynamics was also investigated, indicating possible effects of confinement upon the system self-assembly processes.

Thermodynamics: The Unique Universal Science

Directory of Open Access Journals (Sweden)

Wassim M. Haddad

2017-11-01

Full Text Available Thermodynamics is a physical branch of science that governs the thermal behavior of dynamical systems from those as simple as refrigerators to those as complex as our expanding universe. The laws of thermodynamics involving conservation of energy and nonconservation of entropy are, without a doubt, two of the most useful and general laws in all sciences. The first law of thermodynamics, according to which energy cannot be created or destroyed, merely transformed from one form to another, and the second law of thermodynamics, according to which the usable energy in an adiabatically isolated dynamical system is always diminishing in spite of the fact that energy is conserved, have had an impact far beyond science and engineering. In this paper, we trace the history of thermodynamics from its classical to its postmodern forms, and present a tutorial and didactic exposition of thermodynamics as it pertains to some of the deepest secrets of the universe.

Systematic vibration thermodynamic properties of bromine

Science.gov (United States)

Liu, G. Y.; Sun, W. G.; Liao, B. T.

2015-11-01

Based on the analysis of the maturity and finiteness of vibrational levels of bromine molecule in ground state and evaluating the effect on statistical computation, according to the elementary principles of quantum statistical theorem, using the full set of bromine molecular vibrational levels determined with algebra method, the statistical contribution for bromine systematical macroscopic thermodynamic properties is discussed. Thermodynamic state functions Helmholtz free energy, entropy and observable vibration heat capacity are calculated. The results show that the determination of full set of vibrational levels and maximum vibrational quantum number is the key in the correct statistical analysis of bromine systematical thermodynamic property. Algebra method results are clearly different from data of simple harmonic oscillator and the related algebra method results are no longer analytical but numerical and are superior to simple harmonic oscillator results. Compared with simple harmonic oscillator's heat capacities, the algebra method's heat capacities are more consistent with the experimental data in the given temperature range of 600-2100 K.

Experimental approaches to membrane thermodynamics

DEFF Research Database (Denmark)

Westh, Peter

2009-01-01

Thermodynamics describes a system on the macroscopic scale, yet it is becoming an important tool for the elucidation of many specific molecular aspects of membrane properties. In this note we discuss this application of thermodynamics, and give a number of examples on how thermodynamic measurements...... have contributed to the understanding of specific membrane phenomena. We mainly focus on non-specific interactions of bilayers and small molecules (water and solutes) in the surrounding solvent, and the changes in membrane properties they bring about. Differences between thermodynamic...

Black Holes and Thermodynamics

OpenAIRE

Wald, Robert M.

1997-01-01

We review the remarkable relationship between the laws of black hole mechanics and the ordinary laws of thermodynamics. It is emphasized that - in analogy with the laws of thermodynamics - the validity the laws of black hole mechanics does not appear to depend upon the details of the underlying dynamical theory (i.e., upon the particular field equations of general relativity). It also is emphasized that a number of unresolved issues arise in ``ordinary thermodynamics'' in the context of gener...

Thermodynamic modelling of shape memory behaviour: some examples

International Nuclear Information System (INIS)

Stalmans, R.; Humbeeck, J. van; Delaey, L.

1995-01-01

This paper gives a general view of a recently developed thermodynamic model of the thermoelastic martensitic transformation. Unlike existing empirical, mathematical or thermodynamic models, this generalised thermodynamic model can be used to understand and describe quantitatively the overall thermomechanical behaviour of polycrystalline shape memory alloys. Important points of difference between this and previous thermodynamic models are that the contributions of the stored elastic energy and of the crystal defects are also included. In addition, the mathematical approach and the assumptions in this model are selected in such a way that the calculations yield close approximations of the real behaviour and that the final mathematical equations are relatively simple. Several illustrations indicate that this model, in contrast to other models, can be used to understand the shape memory behaviour of complex cases. As an example of quantitative calculations, it is shown that this modelling can be an effective tool in the ''design'' of multifunctional materials consisting of shape memory elements embedded in matrix materials. (orig.)

Thermodynamic model for grain boundary effects on hydrogen solubility, diffusivity and permeability in poly-crystalline tungsten

Energy Technology Data Exchange (ETDEWEB)

Oda, Takuji, E-mail: oda@snu.ac.kr

2016-11-15

Highlights: • A thermodynamic model to simulate grain boundary effects on hydrogen behaviors in poly-crystalline W was established. • With this model, the effective solubility, diffusivity and permeability of hydrogen are calculated as a function of grain size. • Grain boundary significantly change the hydrogen behaviors in poly-crystalline W up to around 1000 K. - Abstract: A thermodynamic model to evaluate effects of grain boundary (GB) on hydrogen behaviors in poly-crystalline tungsten is established. With this model, the effective solubility, diffusivity and permeability of hydrogen in tungsten equilibrated with surrounding H{sub 2} gas can be calculated as a function of grain size, temperature and H{sub 2} partial pressure. By setting 1.0 eV to the binding energy of hydrogen to GBs and 0.4 eV to the diffusion barrier of hydrogen along GBs, the model reasonably reproduces some experimental data on the effective diffusivity and permeability. Comparisons between calculation results by the model and available experimental data show that GBs significantly affect the hydrogen behaviors up to around 1000 K or higher in practical materials. Therefore, the effects of GBs need to be considered in analysis of experimental results, for which the present model can be utilized, and in prediction of tritium inventory and leakage in fusion reactors.

Revisited

DEFF Research Database (Denmark)

Tegtmeier, Silke; Meyer, Verena; Pakura, Stefanie

2017-01-01

were captured when they described entrepreneurs. Therefore, this paper aims to revisit gender role stereotypes among young adults. Design/methodology/approach: To measure stereotyping, participants were asked to describe entrepreneurs in general and either women or men in general. The Schein......Purpose: Entrepreneurship is shaped by a male norm, which has been widely demonstrated in qualitative studies. The authors strive to complement these methods by a quantitative approach. First, gender role stereotypes were measured in entrepreneurship. Second, the explicit notions of participants......: The images of men and entrepreneurs show a high and significant congruence (r = 0.803), mostly in those adjectives that are untypical for men and entrepreneurs. The congruence of women and entrepreneurs was low (r = 0.152) and insignificant. Contrary to the participants’ beliefs, their explicit notions did...

An engineering thermodynamic approach to select the electromagnetic wave effective on cell growth.

Science.gov (United States)

Lucia, Umberto; Grisolia, Giulia; Ponzetto, Antonio; Silvagno, Francesca

2017-09-21

To date, the choice of the characteristics of the extremely low-frequency electromagnetic field beneficial in proliferative disorders is still empirical. In order to make the ELF interaction selective, we applied the thermodynamic and biochemical principles to the analysis of the thermo-chemical output generated by the cell in the environment. The theoretical approach applied an engineering bio-thermodynamic approach recently developed in order to obtain a physical-mathematical model that calculated the frequency of the field able to maximize the mean entropy changes as a function of cellular parameters. The combined biochemical approach envisioned the changes of entropy as a metabolic shift leading to a reduction of cell growth. The proliferation of six human cancer cell lines was evaluated as the output signal able to confirm the correctness of the mathematical model. By considering the cell as a reactive system able to respond to the unbalancing external stimuli, for the first time we could calculate and validate the frequencies of the field specifically effective on distinct cells. Copyright © 2017 Elsevier Ltd. All rights reserved.

Measuring and modelling of the combined thermodynamic promoting effect of tetrahydrofuran and cyclopentane on carbon dioxide hydrates

DEFF Research Database (Denmark)

Herslund, Peter Jørgensen; Daraboina, Nagu; Thomsen, Kaj

2014-01-01

This work documents both experimental data, and by thermodynamic modelling, the synergistic effect occurring in promoted carbon dioxide hydrate systems at the simultaneous presence of tetrahydrofuran and cyclopentane.Cyclopentane has previously been considered a reference among gas hydrate promot...

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

Molecular thermodynamics of nonideal fluids

CERN Document Server

Lee, Lloyd L

2013-01-01

Molecular Thermodynamics of Nonideal Fluids serves as an introductory presentation for engineers to the concepts and principles behind and the advances in molecular thermodynamics of nonideal fluids. The book covers related topics such as the laws of thermodynamics; entropy; its ensembles; the different properties of the ideal gas; and the structure of liquids. Also covered in the book are topics such as integral equation theories; theories for polar fluids; solution thermodynamics; and molecular dynamics. The text is recommended for engineers who would like to be familiarized with the concept

Thermodynamic Tuning of Mg-Based Hydrogen Storage Alloys: A Review

Science.gov (United States)

Zhu, Min; Lu, Yanshan; Ouyang, Liuzhang; Wang, Hui

2013-01-01

Mg-based hydrides are one of the most promising hydrogen storage materials because of their relatively high storage capacity, abundance, and low cost. However, slow kinetics and stable thermodynamics hinder their practical application. In contrast to the substantial progress in the enhancement of the hydrogenation/dehydrogenation kinetics, thermodynamic tuning is still a great challenge for Mg-based alloys. At present, the main strategies to alter the thermodynamics of Mg/MgH2 are alloying, nanostructuring, and changing the reaction pathway. Using these approaches, thermodynamic tuning has been achieved to some extent, but it is still far from that required for practical application. In this article, we summarize the advantages and disadvantages of these strategies. Based on the current progress, finding reversible systems with high hydrogen capacity and effectively tailored reaction enthalpy offers a promising route for tuning the thermodynamics of Mg-based hydrogen storage alloys. PMID:28788353

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)

Solvation thermodynamics

CERN Document Server

Ben-Naim, Arieh

1987-01-01

This book deals with a subject that has been studied since the beginning of physical chemistry. Despite the thousands of articles and scores of books devoted to solvation thermodynamics, I feel that some fundamen­ tal and well-established concepts underlying the traditional approach to this subject are not satisfactory and need revision. The main reason for this need is that solvation thermodynamics has traditionally been treated in the context of classical (macroscopic) ther­ modynamics alone. However, solvation is inherently a molecular pro­ cess, dependent upon local rather than macroscopic properties of the system. Therefore, the starting point should be based on statistical mechanical methods. For many years it has been believed that certain thermodynamic quantities, such as the standard free energy (or enthalpy or entropy) of solution, may be used as measures of the corresponding functions of solvation of a given solute in a given solvent. I first challenged this notion in a paper published in 1978 b...

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...

Who should do the dishes now? Revisiting gender and housework in contemporary urban South Wales

OpenAIRE

Mannay, Dawn

2016-01-01

This chapter revisits Jane Pilcher’s (1994) seminal work ‘Who should do the dishes? Three generations of Welsh women talking about men and housework’, which was originally published in Our Sister’s Land: the changing identities of women in Wales. As discussed in the introductory chapter, I began revisiting classic Welsh studies as part of my doctoral study Mothers and daughters on the margins: gender, generation and education (Mannay, 2012); this lead to the later publication of a revisiting ...

Thermodynamic Activity-Based Progress Curve Analysis in Enzyme Kinetics.

Science.gov (United States)

Pleiss, Jürgen

2018-03-01

Macrokinetic Michaelis-Menten models based on thermodynamic activity provide insights into enzyme kinetics because they separate substrate-enzyme from substrate-solvent interactions. Kinetic parameters are estimated from experimental progress curves of enzyme-catalyzed reactions. Three pitfalls are discussed: deviations between thermodynamic and concentration-based models, product effects on the substrate activity coefficient, and product inhibition. Copyright © 2017 Elsevier Ltd. All rights reserved.

Thermodynamically efficient solar concentrators

Science.gov (United States)

Winston, Roland

2012-10-01

Non-imaging Optics is the theory of thermodynamically efficient optics and as such depends more on thermodynamics than on optics. Hence in this paper a condition for the "best" design is proposed based on purely thermodynamic arguments, which we believe has profound consequences for design of thermal and even photovoltaic systems. This new way of looking at the problem of efficient concentration depends on probabilities, the ingredients of entropy and information theory while "optics" in the conventional sense recedes into the background.

Thermodynamics of quantum strings

CERN Document Server

Morgan, M J

1994-01-01

A statistical mechanical analysis of an ideal gas of non-relativistic quantum strings is presented, in which the thermodynamic properties of the string gas are calculated from a canonical partition function. This toy model enables students to gain insight into the thermodynamics of a simple 'quantum field' theory, and provides a useful pedagogical introduction to the more complicated relativistic string theories. A review is also given of the thermodynamics of the open bosonic string gas and the type I (open) superstring gas. (author)

The power reinforcement framework revisited

DEFF Research Database (Denmark)

Nielsen, Jeppe; Andersen, Kim Normann; Danziger, James N.

2016-01-01

Whereas digital technologies are often depicted as being capable of disrupting long-standing power structures and facilitating new governance mechanisms, the power reinforcement framework suggests that information and communications technologies tend to strengthen existing power arrangements within...... public organizations. This article revisits the 30-yearold power reinforcement framework by means of an empirical analysis on the use of mobile technology in a large-scale programme in Danish public sector home care. It explores whether and to what extent administrative management has controlled decision......-making and gained most benefits from mobile technology use, relative to the effects of the technology on the street-level workers who deliver services. Current mobile technology-in-use might be less likely to be power reinforcing because it is far more decentralized and individualized than the mainly expert...

Student Oriented Approaches in the Teaching of Thermodynamics at Universities--Developing an Effective Course Structure

Science.gov (United States)

Partanen, Lauri

2016-01-01

The aim of this study was to apply current pedagogical research in order to develop an effective course and exercise structure for a physical chemistry thermodynamics course intended for second or third year university students of chemistry. A mixed-method approach was used to measure the impact the changes had on student learning. In its final…

Electrochemical thermodynamic measurement system

Science.gov (United States)

Reynier, Yvan [Meylan, FR; Yazami, Rachid [Los Angeles, CA; Fultz, Brent T [Pasadena, CA

2009-09-29

The present invention provides systems and methods for accurately characterizing thermodynamic and materials properties of electrodes and electrochemical energy storage and conversion systems. Systems and methods of the present invention are configured for simultaneously collecting a suite of measurements characterizing a plurality of interconnected electrochemical and thermodynamic parameters relating to the electrode reaction state of advancement, voltage and temperature. Enhanced sensitivity provided by the present methods and systems combined with measurement conditions that reflect thermodynamically stabilized electrode conditions allow very accurate measurement of thermodynamic parameters, including state functions such as the Gibbs free energy, enthalpy and entropy of electrode/electrochemical cell reactions, that enable prediction of important performance attributes of electrode materials and electrochemical systems, such as the energy, power density, current rate and the cycle life of an electrochemical cell.

Applied thermodynamics of the real gas with respect to the thermodynamic zeros of the entropy and internal energy

International Nuclear Information System (INIS)

Elsner, Albrecht

2012-01-01

Gibbs's work on the thermodynamic properties of substances presented a complete thermodynamic theory. The formulations of the entropy S and internal energy U as extensive quantities allow the zeros of the real gas to be given: S=0 at absolute zero (Nernst, Planck) and U=0 at the critical point. Consequently, every thermodynamic function is unique and absolutely specified. Interdependences among quantities such as temperature, vapor pressure, chemical potential, volume, entropy, internal energy, and heat capacity are likewise unique and numerically well defined. This is shown for the saturated fluid, water, in the region between absolute zero and the critical point. As a consequence of the calculation of the chemical potential, it follows that the free particle flow in an inhomogeneous system is essentially governed by the difference in chemical potential, and not through the difference in pressure, this effect being of importance for meteorology and oceanography.

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

Thermodynamics in Einstein's thought

International Nuclear Information System (INIS)

Klein, M.J.

1983-01-01

The role of the thermodynamical approach in the Einstein's scientific work is analyzed. The Einstein's development of a notion about statistical fluctuations of thermodynamical systems that leads him to discovery of corpuscular-wave dualism is retraced

The OpenCalphad thermodynamic software interface

Science.gov (United States)

Sundman, Bo; Kattner, Ursula R; Sigli, Christophe; Stratmann, Matthias; Le Tellier, Romain; Palumbo, Mauro; Fries, Suzana G

2017-01-01

Thermodynamic data are needed for all kinds of simulations of materials processes. Thermodynamics determines the set of stable phases and also provides chemical potentials, compositions and driving forces for nucleation of new phases and phase transformations. Software to simulate materials properties needs accurate and consistent thermodynamic data to predict metastable states that occur during phase transformations. Due to long calculation times thermodynamic data are frequently pre-calculated into “lookup tables” to speed up calculations. This creates additional uncertainties as data must be interpolated or extrapolated and conditions may differ from those assumed for creating the lookup table. Speed and accuracy requires that thermodynamic software is fully parallelized and the Open-Calphad (OC) software is the first thermodynamic software supporting this feature. This paper gives a brief introduction to computational thermodynamics and introduces the basic features of the OC software and presents four different application examples to demonstrate its versatility. PMID:28260838

Thermodynamics of phonon-modulated tunneling centers

International Nuclear Information System (INIS)

Junker, W.; Wagner, M.

1989-01-01

In recent years tunneling centers have frequently been used to explain the unusual thermodynamic properties of disordered materials; in these approaches, however, the effect of the tunneling-phonon interaction is neglected. The present study considers the archetype model of phono-assisted tunneling, which is well known from other areas of tunneling physics (quantum diffusion, etc.). It is shown that the full thermodynamic information can be rigorously extracted from a single Green function. An extended factorization procedure beyond Hartree-Fock is introduced, which is checked by sum rules as well as by exact Goldberger-Adams expansions. The phonon-modulated internal energy and specific heat are calculated for different power-law coupling setups

Black hole chemistry: thermodynamics with Lambda

International Nuclear Information System (INIS)

Kubizňák, David; Mann, Robert B; Teo, Mae

2017-01-01

We review recent developments on the thermodynamics of black holes in extended phase space, where the cosmological constant is interpreted as thermodynamic pressure and treated as a thermodynamic variable in its own right. In this approach, the mass of the black hole is no longer regarded as internal energy, rather it is identified with the chemical enthalpy. This leads to an extended dictionary for black hole thermodynamic quantities; in particular a notion of thermodynamic volume emerges for a given black hole spacetime. This volume is conjectured to satisfy the reverse isoperimetric inequality—an inequality imposing a bound on the amount of entropy black hole can carry for a fixed thermodynamic volume. New thermodynamic phase transitions naturally emerge from these identifications. Namely, we show that black holes can be understood from the viewpoint of chemistry, in terms of concepts such as Van der Waals fluids, reentrant phase transitions, and triple points. We also review the recent attempts at extending the AdS/CFT dictionary in this setting, discuss the connections with horizon thermodynamics, applications to Lifshitz spacetimes, and outline possible future directions in this field. (topical review)

Thermodynamics of Accelerating Black Holes.

Science.gov (United States)

Appels, Michael; Gregory, Ruth; Kubizňák, David

2016-09-23

We address a long-standing problem of describing the thermodynamics of an accelerating black hole. We derive a standard first law of black hole thermodynamics, with the usual identification of entropy proportional to the area of the event horizon-even though the event horizon contains a conical singularity. This result not only extends the applicability of black hole thermodynamics to realms previously not anticipated, it also opens a possibility for studying novel properties of an important class of exact radiative solutions of Einstein equations describing accelerated objects. We discuss the thermodynamic volume, stability, and phase structure of these black holes.

ZINC MITIGATION INTERIM REPORT - THERMODYNAMIC STUDY

Energy Technology Data Exchange (ETDEWEB)

Korinko, P.

2010-12-17

An experimental program was initiated in order to develop and validate conditions that will effectively trap Zn vapors that are released during extraction. The proposed work is broken down into three tasks. The first task is to determine the effectiveness of various pore sizes of filter elements. The second task is to determine the effect of filter temperature on zinc vapor deposition. The final task is to determine whether the zinc vapors can be chemically bound. The approach for chemically binding the zinc vapors has two subtasks, the first is a review of literature and thermodynamic calculations and the second is an experimental approach using the best candidates. This report details the results of the thermodynamic calculations to determine feasibility of chemically binding the zinc vapors within the furnace module, specifically the lithium trap (1). A review of phase diagrams, literature, and thermodynamic calculations was conducted to determine if there are suitable materials to capture zinc vapor within the lithium trap of the extraction basket. While numerous elements exist that form compounds with zinc, many of these also form compounds with hydrogen or the water that is present in the TPBARs. This relatively comprehensive review of available data indicates that elemental cobalt and copper and molybdenum trioxide (MoO3) may have the requisite properties to capture zinc and yet not be adversely affected by the extraction gases and should be considered for testing.

Thermodynamics of strong coupling superconductors including the effect of anisotropy

Science.gov (United States)

Daams, J. M.; Carbotte, J. P.

1981-05-01

The thermodynamics of several elemental superconductors is computed from isotropic Eliashberg theory formulated on the imaginary frequency axis. A symmary of the available experimental literature is presented and a comparison with theory is given. The small disagreements that are found are all in the direction expected from anisotropy effects. We calculate the effect of a small amount of model anisotropy on the critical temperature, critical field, and high-temperature specific heat from an exact solution of the anisotropic Eliashberg equations. These are the first such results below the critical temperature; unlike previous analytical work, we include retardation, anisotropy in the mass enhancement, and the effect of the Coulomb repulsion in enhancing anisotropy, all of which are significant. We derive a new formula independent of any model anisotropy for the rate of decrease with impurity lifetime of the critical temperature. Finally we demonstrate how the commonly used formulas of Markowitz and Kadanoff and of Clem may give entirely misleading estimates of the gap anisotropy when used to interpret certain experiments.

Thermodynamics of complexity

DEFF Research Database (Denmark)

Westerhoff, Hans V.; Jensen, Peter Ruhdal; Snoep, Jacky L.

1998-01-01

-called emergent properties. Tendency towards increased entropy is an essential determinant for the behaviour of ideal gas mixtures, showing that even in the simplest physical/chemical systems, (dys)organisation of components is crucial for the behaviour of systems. This presentation aims at illustrating...... that the behaviour of two functionally interacting biological components (molecules, protein domains, pathways, organelles) differs from the behaviour these components would exhibit in isolation from one another, where the difference should be essential for the maintenance and growth of the living state, For a true...... understanding of this BioComplexity, modem thermodynamic concepts and methods (nonequilibrium thermodynamics, metabolic and hierarchical control analysis) will be needed. We shall propose to redefine nonequilibrium thermodynamics as: The science that aims at understanding the behaviour of nonequilibrium systems...

Effect of relative humidity and temperature control on in-cabin thermal comfort state: Thermodynamic and psychometric analyses

International Nuclear Information System (INIS)

Alahmer, A.; Omar, M.A.; Mayyas, A.; Dongri, Shan

2011-01-01

This manuscript discusses the effect of manipulating the Relative Humidity RH of in-cabin environment on the thermal comfort and human occupants' thermal sensation. The study uses thermodynamic and psychometric analyses, to incorporate the effect of changing RH along with the dry bulb temperature on human comfort. Specifically, the study computes the effect of changing the relative humidity on the amount of heat rejected from the passenger compartment and the effect of relative humidity on occupants comfort zone. A practical system implementation is also discussed in terms of an evaporative cooler design. The results show that changing the RH along with dry bulb temperature inside vehicular cabins can improve the air conditioning efficiency by reducing the heat removed while improving the Human comfort sensations as measured by the Predicted Mean Value PMV and the Predicted Percentage Dissatisfied PPD indices. - Highlights: → Investigates the effect of controlling the RH and dry bulb temperature on in-cabin thermal comfort and sensation. → Conducts the thermodynamic and psychometric analyses for changing the RH and temperature for in-cabin air conditioning. → Discusses a possible system implementation through an evaporative cooler design.

Revisiting reflexology: Concept, evidence, current practice, and practitioner training

OpenAIRE

Embong, Nurul Haswani; Soh, Yee Chang; Ming, Long Chiau; Wong, Tin Wui

2015-01-01

Reflexology is basically a study of how one part of the human body relates to another part of the body. Reflexology practitioners rely on the reflexes map of the feet and hands to all the internal organs and other human body parts. They believe that by applying the appropriate pressure and massage certain spots on the feet and hands, all other body parts could be energized and rejuvenated. This review aimed to revisit the concept of reflexology and examine its effectiveness, practices, and th...

Revisit complexation between DNA and polyethylenimine — Effect of length of free polycationic chains on gene transfection

DEFF Research Database (Denmark)

Yue, Yanan; Jin, Fan; Deng, Rui

2011-01-01

Our revisit of the complexation between DNA and polyethylenimine (PEI) by using a combination of laser light scattering and gel electrophoresis confirms that nearly all the DNA chains are complexed with PEI to form polyplexes when the molar ratio of nitrogen from PEI to phosphate from DNA (N:P) r...

Examining Relationships of Destination Image, Service Quality, e-WOM, and Revisit Intention to Sabang Island, Indonesia

Directory of Open Access Journals (Sweden)

Rangga Restu Prayogo

2016-12-01

Full Text Available The purpose of this research is to study the relationship among destination image, service quality, e-WOM, and revisit intentions in the tourism industry. A questionnaire given to tourists who visit one of the farrest island in western part of Indonesia, Sabang Island and using sampling through the convenience sampling. A structural equation model (SEM test with WarpPLS 3.0 was used to test the relationship between research variables. This research gathered from 150 respondents. The empirical results from PLS-SEM showed that; the destination image positive affect e-WOM and revisit intention; service quality affect e-WOM and revisit intention; e-WOM positive affect to revisit intention tourists. The implications and future research issues were discussed.

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.

"A calorie is a calorie" violates the second law of thermodynamics

Directory of Open Access Journals (Sweden)

Fine Eugene J

2004-07-01

Full Text Available Abstract The principle of "a calorie is a calorie," that weight change in hypocaloric diets is independent of macronutrient composition, is widely held in the popular and technical literature, and is frequently justified by appeal to the laws of thermodynamics. We review here some aspects of thermodynamics that bear on weight loss and the effect of macronutrient composition. The focus is the so-called metabolic advantage in low-carbohydrate diets – greater weight loss compared to isocaloric diets of different composition. Two laws of thermodynamics are relevant to the systems considered in nutrition and, whereas the first law is a conservation (of energy law, the second is a dissipation law: something (negative entropy is lost and therefore balance is not to be expected in diet interventions. Here, we propose that a misunderstanding of the second law accounts for the controversy about the role of macronutrient effect on weight loss and we review some aspects of elementary thermodynamics. We use data in the literature to show that thermogenesis is sufficient to predict metabolic advantage. Whereas homeostasis ensures balance under many conditions, as a general principle, "a calorie is a calorie" violates the second law of thermodynamics.

"A calorie is a calorie" violates the second law of thermodynamics.

Science.gov (United States)

Feinman, Richard D; Fine, Eugene J

2004-07-28

The principle of "a calorie is a calorie," that weight change in hypocaloric diets is independent of macronutrient composition, is widely held in the popular and technical literature, and is frequently justified by appeal to the laws of thermodynamics. We review here some aspects of thermodynamics that bear on weight loss and the effect of macronutrient composition. The focus is the so-called metabolic advantage in low-carbohydrate diets--greater weight loss compared to isocaloric diets of different composition. Two laws of thermodynamics are relevant to the systems considered in nutrition and, whereas the first law is a conservation (of energy) law, the second is a dissipation law: something (negative entropy) is lost and therefore balance is not to be expected in diet interventions. Here, we propose that a misunderstanding of the second law accounts for the controversy about the role of macronutrient effect on weight loss and we review some aspects of elementary thermodynamics. We use data in the literature to show that thermogenesis is sufficient to predict metabolic advantage. Whereas homeostasis ensures balance under many conditions, as a general principle, "a calorie is a calorie" violates the second law of thermodynamics.

Thermodynamic interrelation between excess limiting partial molar characteristics of a liquid nonelectrolyte

International Nuclear Information System (INIS)

Ivanov, Evgeniy V.

2012-01-01

Highlights: ► Excess limiting molar volume may be regarded as a solvation-related characteristic. ► Volumetric and enthalpic effects of dissolution are interrelated thermodynamically. ► Possibility to estimate the partial change in solute compressibility is described. - Abstract: On the basis of thermodynamic analysis, it is concluded that the excess limiting partial molar volume, like the excess limiting partial molar enthalpy, can be considered as a solvation-related characteristic of a liquid nonelectrolyte. A thermodynamically grounded interrelation between standard volumetric and enthalpic effects of solution of a liquid nonelectrolyte (or series of nonelectrolytes) is suggested.

Entropy and black-hole thermodynamics

International Nuclear Information System (INIS)

Wald, R.M.

1979-01-01

The concept of entropy is examined with an eye toward gaining insight into the nature of black-hole thermodynamics. Definitions of entropy are given for ordinary classical and quantum-mechanical systems which lead to plausibility arguments for the ordinary laws of thermodynamics. The treatment of entropy for a classical system is in the spirit of the information-theory viewpoint, but by explicitly incorporating the coarse-grained observable into the definition of entropy, we eliminate any nonobjective features. The definition of entropy for a quantum-mechanical system is new, but directly parallels the classical treatment. We then apply these ideas to a self-gravitating quantum system which contains a black hole. Under some assumptions: which, although nontrivial, are by no means exotic: about the nature of such a system, it is seen that the same plausibility arguments which lead to the ordinary laws of thermodynamics for ordinary systems now lead to the laws of black-hole mechanics, including the generalized second law of thermodynamics. Thus, it appears perfectly plausible that black-hole thermodynamics is nothing more than ordinary thermodynamics applied to a self-gravitating quantum system

Thermodynamic properties of cryogenic fluids

CERN Document Server

Leachman, Jacob; Lemmon, Eric; Penoncello, Steven

2017-01-01

This update to a classic reference text provides practising engineers and scientists with accurate thermophysical property data for cryogenic fluids. The equations for fifteen important cryogenic fluids are presented in a basic format, accompanied by pressure-enthalpy and temperature-entropy charts and tables of thermodynamic properties. It begins with a chapter introducing the thermodynamic relations and functional forms for equations of state, and goes on to describe the requirements for thermodynamic property formulations, needed for the complete definition of the thermodynamic properties of a fluid. The core of the book comprises extensive data tables and charts for the most commonly-encountered cryogenic fluids. This new edition sees significant updates to the data presented for air, argon, carbon monoxide, deuterium, ethane, helium, hydrogen, krypton, nitrogen and xenon. The book supports and complements NIST’s REFPROP - an interactive database and tool for the calculation of thermodynamic propertie...

Deterministic Graphical Games Revisited

DEFF Research Database (Denmark)

Andersson, Daniel; Hansen, Kristoffer Arnsfelt; Miltersen, Peter Bro

2008-01-01

We revisit the deterministic graphical games of Washburn. A deterministic graphical game can be described as a simple stochastic game (a notion due to Anne Condon), except that we allow arbitrary real payoffs but disallow moves of chance. We study the complexity of solving deterministic graphical...... games and obtain an almost-linear time comparison-based algorithm for computing an equilibrium of such a game. The existence of a linear time comparison-based algorithm remains an open problem....

A novel constraint for thermodynamically designing DNA sequences.

Directory of Open Access Journals (Sweden)

Qiang Zhang

Full Text Available Biotechnological and biomolecular advances have introduced novel uses for DNA such as DNA computing, storage, and encryption. For these applications, DNA sequence design requires maximal desired (and minimal undesired hybridizations, which are the product of a single new DNA strand from 2 single DNA strands. Here, we propose a novel constraint to design DNA sequences based on thermodynamic properties. Existing constraints for DNA design are based on the Hamming distance, a constraint that does not address the thermodynamic properties of the DNA sequence. Using a unique, improved genetic algorithm, we designed DNA sequence sets which satisfy different distance constraints and employ a free energy gap based on a minimum free energy (MFE to gauge DNA sequences based on set thermodynamic properties. When compared to the best constraints of the Hamming distance, our method yielded better thermodynamic qualities. We then used our improved genetic algorithm to obtain lower-bound DNA sequence sets. Here, we discuss the effects of novel constraint parameters on the free energy gap.

Thermodynamics and statistical mechanics. [thermodynamic properties of gases

Science.gov (United States)

1976-01-01

The basic thermodynamic properties of gases are reviewed and the relations between them are derived from the first and second laws. The elements of statistical mechanics are then formulated and the partition function is derived. The classical form of the partition function is used to obtain the Maxwell-Boltzmann distribution of kinetic energies in the gas phase and the equipartition of energy theorem is given in its most general form. The thermodynamic properties are all derived as functions of the partition function. Quantum statistics are reviewed briefly and the differences between the Boltzmann distribution function for classical particles and the Fermi-Dirac and Bose-Einstein distributions for quantum particles are discussed.

Towards Thermodynamics with Generalized Uncertainty Principle

International Nuclear Information System (INIS)

Moussa, Mohamed; Farag Ali, Ahmed

2014-01-01

Various frameworks of quantum gravity predict a modification in the Heisenberg uncertainty principle to a so-called generalized uncertainty principle (GUP). Introducing quantum gravity effect makes a considerable change in the density of states inside the volume of the phase space which changes the statistical and thermodynamical properties of any physical system. In this paper we investigate the modification in thermodynamic properties of ideal gases and photon gas. The partition function is calculated and using it we calculated a considerable growth in the thermodynamical functions for these considered systems. The growth may happen due to an additional repulsive force between constitutes of gases which may be due to the existence of GUP, hence predicting a considerable increase in the entropy of the system. Besides, by applying GUP on an ideal gas in a trapped potential, it is found that GUP assumes a minimum measurable value of thermal wavelength of particles which agrees with discrete nature of the space that has been derived in previous studies from the GUP

The thermodynamical foundation of electronic conduction in solids

Science.gov (United States)

Bringuier, E.

2018-03-01

In elementary textbooks, the microscopic justification of Ohm’s local law in a solid medium starts with Drude’s classical model of electron transport and next discusses the quantum-dynamical and statistical amendments. In this paper, emphasis is laid instead upon the thermodynamical background motivated by the Joule-Lenz heating effect accompanying conduction and the fact that the conduction electrons are thermalized at the lattice temperature. Both metals and n-type semiconductors are considered; but conduction under a magnetic field is not. Proficiency in second-year thermodynamics and vector analysis is required from an undergraduate university student in physics so that the content of the paper can be taught to third-year students. The necessary elements of quantum mechanics are posited in this paper without detailed justification. We start with the equilibrium-thermodynamic notion of the chemical potential of the electron gas, the value of which distinguishes metals from semiconductors. Then we turn to the usage of the electrochemical potential in the description of near-equilibrium electron transport. The response of charge carriers to the electrochemical gradient involves the mobility, which is the reciprocal of the coefficient of the effective friction force opposing the carrier drift. Drude’s calculation of mobility is restated with the dynamical requirements of quantum physics. Where the carrier density is inhomogeneous, there appears diffusion, the coefficient of which is thermodynamically related to the mobility. Next, it is remarked that the release of heat was ignored in Drude’s original model. In this paper, the flow of Joule heat is handled thermodynamically within an energy balance where the voltage generator, the conduction electrons and the host lattice are involved in an explicit way. The notion of dissipation is introduced as the rate of entropy creation in a steady state. The body of the paper is restricted to the case of one

Improved actions for QCD thermodynamics on the lattice

CERN Document Server

Beinlich, B; Laermann, E

1996-01-01

Finite cut-off effects strongly influence the thermodynamics of lattice regularized QCD at high temperature in the standard Wilson formulation. We analyze the reduction of finite cut-off effects in formulations of the thermodynamics of SU(N) gauge theories with three different O(a^2) and O(a^4) improved actions. We calculate the energy density and pressure on finite lattices in leading order weak coupling perturbation theory (T\\rightarrow \\infty) and perform Monte Carlo simulations with improved SU(3) actions at non-zero g^2. Already on lattices with temporal extent N_\\tau=4 we find a strong reduction of finite cut-off effects in the high temperature limit, which persists also down to temperatures a few times the deconfinement transition temperature.

Thermodynamics of Dipolar Chain Systems

International Nuclear Information System (INIS)

Armstrong, J.R.; Zinner, N.T.; Fedorov, D.V.; Jensen, A.S.

2013-01-01

The thermodynamics of a quantum system of layers containing perpendicularly oriented dipolar molecules is studied within an oscillator approximation for both bosonic and fermionic species. The system is assumed to be built from chains with one molecule in each layer. We consider the effects of the intralayer repulsion and quantum statistical requirements in systems with more than one chain. Specifically, we consider the case of two chains and solve the problem analytically within the harmonic Hamiltonian approach which is accurate for large dipole moments. The case of three chains is calculated numerically. Our findings indicate that thermodynamic observables, such as the heat capacity, can be used to probe the signatures of the intralayer interaction between chains. This should be relevant for near future experiments on polar molecules with strong dipole moments. (author)

Theoretical physics 5 thermodynamics

CERN Document Server

Nolting, Wolfgang

2017-01-01

This concise textbook offers a clear and comprehensive introduction to thermodynamics, one of the core components of undergraduate physics courses. It follows on naturally from the previous volumes in this series, defining macroscopic variables, such as internal energy, entropy and pressure,together with thermodynamic principles. The first part of the book introduces the laws of thermodynamics and thermodynamic potentials. More complex themes are covered in the second part of the book, which describes phases and phase transitions in depth. Ideally suited to undergraduate students with some grounding in classical mechanics, the book is enhanced throughout with learning features such as boxed inserts and chapter summaries, with key mathematical derivations highlighted to aid understanding. The text is supported by numerous worked examples and end of chapter problem sets. About the Theoretical Physics series Translated from the renowned and highly successful German editions, the eight volumes of this series cove...

Lorentz violation naturalness revisited

Energy Technology Data Exchange (ETDEWEB)

Belenchia, Alessio; Gambassi, Andrea; Liberati, Stefano [SISSA - International School for Advanced Studies, via Bonomea 265, 34136 Trieste (Italy); INFN, Sezione di Trieste, via Valerio 2, 34127 Trieste (Italy)

2016-06-08

We revisit here the naturalness problem of Lorentz invariance violations on a simple toy model of a scalar field coupled to a fermion field via a Yukawa interaction. We first review some well-known results concerning the low-energy percolation of Lorentz violation from high energies, presenting some details of the analysis not explicitly discussed in the literature and discussing some previously unnoticed subtleties. We then show how a separation between the scale of validity of the effective field theory and that one of Lorentz invariance violations can hinder this low-energy percolation. While such protection mechanism was previously considered in the literature, we provide here a simple illustration of how it works and of its general features. Finally, we consider a case in which dissipation is present, showing that the dissipative behaviour does not percolate generically to lower mass dimension operators albeit dispersion does. Moreover, we show that a scale separation can protect from unsuppressed low-energy percolation also in this case.

Pathway Thermodynamics Highlights Kinetic Obstacles in Central Metabolism

Science.gov (United States)

Flamholz, Avi; Reznik, Ed; Liebermeister, Wolfram; Milo, Ron

2014-01-01

In metabolism research, thermodynamics is usually used to determine the directionality of a reaction or the feasibility of a pathway. However, the relationship between thermodynamic potentials and fluxes is not limited to questions of directionality: thermodynamics also affects the kinetics of reactions through the flux-force relationship, which states that the logarithm of the ratio between the forward and reverse fluxes is directly proportional to the change in Gibbs energy due to a reaction (ΔrG′). Accordingly, if an enzyme catalyzes a reaction with a ΔrG′ of -5.7 kJ/mol then the forward flux will be roughly ten times the reverse flux. As ΔrG′ approaches equilibrium (ΔrG′ = 0 kJ/mol), exponentially more enzyme counterproductively catalyzes the reverse reaction, reducing the net rate at which the reaction proceeds. Thus, the enzyme level required to achieve a given flux increases dramatically near equilibrium. Here, we develop a framework for quantifying the degree to which pathways suffer these thermodynamic limitations on flux. For each pathway, we calculate a single thermodynamically-derived metric (the Max-min Driving Force, MDF), which enables objective ranking of pathways by the degree to which their flux is constrained by low thermodynamic driving force. Our framework accounts for the effect of pH, ionic strength and metabolite concentration ranges and allows us to quantify how alterations to the pathway structure affect the pathway's thermodynamics. Applying this methodology to pathways of central metabolism sheds light on some of their features, including metabolic bypasses (e.g., fermentation pathways bypassing substrate-level phosphorylation), substrate channeling (e.g., of oxaloacetate from malate dehydrogenase to citrate synthase), and use of alternative cofactors (e.g., quinone as an electron acceptor instead of NAD). The methods presented here place another arrow in metabolic engineers' quiver, providing a simple means of evaluating

On Thermodynamical Relation Between Rotating Charged BTZ Black Holes and Effective String Theory

Institute of Scientific and Technical Information of China (English)

Alexis Larra(~n)aga

2008-01-01

In this paper we study the first law of thermodynamics for the (2+1)-dimensional rotating charged BTZ black hole considering a pair of thermodynamical systems constructed with the two horizons of this solution. We show that these two systems are similar to the right and left movers of string theory and that the temperature associated with the black hole is the harmonic mean of the temperatures associated with these two systems.

Thermal effect on water retention curve of bentonite: experiment and thermodynamic modeling

International Nuclear Information System (INIS)

Qin Bing; Chen Zhenghai; Sun Faxin; Liu Yuemiao; Wang Ju

2012-01-01

The thermal effects on water retention curve of GMZ bentonite were investigated experimentally and theoretically. Water retention tests were conducted on GMZ bentonite at five temperatures ranging from 20℃ to 100℃. Test results showed that the water retention capacity and the hysteresis of the water retention curve decreased with increasing temperature, and that the water retention curves at different temperatures were almost parallel to each other. Based on the thermodynamics of sorption, a model was established to describe the temperature influence on the water retention curve. The model was validated by comparing the model predictions and the test results. (authors)

Thermodynamic optimization of the Cu-Nd system

International Nuclear Information System (INIS)

Wang Peisheng; Zhou Liangcai; Du Yong; Xu Honghui; Liu Shuhong; Chen Li; Ouyang Yifang

2011-01-01

Research highlights: → The enthalpies of formation of the compounds Cu 6 Nd, Cu 5 Nd, Cu 2 Nd and αCuNd were calculated using DFT. → The thermodynamic constraints to eliminate the artificial phase relations were imposed during the thermodynamic optimization procedure. → The Cu-Nd system was optimized under the thermodynamic constraints. - Abstract: The thermodynamic constraints to eliminate artificial phase relations were introduced with the Cu-Nd system as an example. The enthalpies of formation of the compounds Cu 6 Nd, Cu 5 Nd, Cu 2 Nd and αCuNd are calculated using density functional theory. Taking into account all the experimental data and the first-principles calculated enthalpies of formation of these compounds, the thermodynamic optimization of the Cu-Nd system was performed under the proposed thermodynamic constraints. It is demonstrated that the thermodynamic constraints are critical to obtain a set of thermodynamic parameters for the Cu-Nd system, which can avoid the appearance of all the artificial phase relations.

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.

Possible extended forms of thermodynamic entropy

International Nuclear Information System (INIS)

Sasa, Shin-ichi

2014-01-01

Thermodynamic entropy is determined by a heat measurement through the Clausius equality. The entropy then formalizes a fundamental limitation of operations by the second law of thermodynamics. The entropy is also expressed as the Shannon entropy of the microscopic degrees of freedom. Whenever an extension of thermodynamic entropy is attempted, we must pay special attention to how its three different aspects just mentioned are altered. In this paper, we discuss possible extensions of the thermodynamic entropy. (paper)

Thermodynamics of statistical inference by cells.

Science.gov (United States)

Lang, Alex H; Fisher, Charles K; Mora, Thierry; Mehta, Pankaj

2014-10-03

The deep connection between thermodynamics, computation, and information is now well established both theoretically and experimentally. Here, we extend these ideas to show that thermodynamics also places fundamental constraints on statistical estimation and learning. To do so, we investigate the constraints placed by (nonequilibrium) thermodynamics on the ability of biochemical signaling networks to estimate the concentration of an external signal. We show that accuracy is limited by energy consumption, suggesting that there are fundamental thermodynamic constraints on statistical inference.

Thermodynamics for Chemists, Physicists and Engineers

CERN Document Server

Hołyst, Robert

2012-01-01

Thermodynamics is an essential part of chemical physics and is of fundamental importance in physics, chemistry and engineering courses. This textbook takes an interdisciplinary approach to the subject and is therefore suitable for undergraduates in all those courses. The book is an introduction to phenomenological thermodynamics and its applications to phase transitions and chemical reactions, with some references to statistical mechanics. It strikes the balance between the rigorousness of the Callen text and phenomenological approach of the Atkins text. The book is divided in three parts. The first introduces the postulates and laws of thermodynamics and complements these initial explanations with practical examples. The second part is devoted to applications of thermodynamics to phase transitions in pure substances and mixtures. The third part covers thermodynamic systems in which chemical reactions take place. There are some sections on more advanced topics such as thermodynamic potentials, natural variabl...

Thermodynamic study of selected monoterpenes III

International Nuclear Information System (INIS)

Štejfa, Vojtěch; Fulem, Michal; Růžička, Květoslav; Červinka, Ctirad

2014-01-01

Highlights: • (−)-trans-Pinane, (+)-Δ-carene, eucalyptol, and limonene were studied. • New thermodynamic data were measured and calculated. • Many of thermodynamic data are reported for the first time. - Abstract: A thermodynamic study of selected monoterpenes, (−)-trans-pinane, (+)-Δ-carene, eucalyptol, (+)-limonene, and (−)-limonene, is presented in this work. The vapor pressure measurements were performed using the static method over the environmentally important temperature range (238 to 308) K. Liquid heat capacities were measured by Tian–Calvet calorimetry in the temperature interval (258 to 355) K. The phase behavior was investigated by differential scanning calorimetry (DSC) from T = 183 K. The thermodynamic properties in the ideal-gas state were calculated by combining statistical thermodynamic and density functional theory (DFT) calculations. Calculated ideal-gas heat capacities and experimental data for vapor pressures and condensed phase heat capacities were treated simultaneously to obtain a consistent thermodynamic description

Thermodynamics of ionic processes in solutions

International Nuclear Information System (INIS)

Krestov, G.A.

1984-01-01

The present nitions about the mechanism of solvation of atomic-molecular particles and the structure of electrolyte and non electrolyte solutions are given. From common positions a wide range of interrelated problems (general and thermodynamic characteristic of ions, thermodynamic characteristic of ion solvation and various ionic reactions in solutions, structural changes of the solvent in the above processes etc...) is considered. The latest scientific data including those on the effect on the thermodynamio properties of low temperatures, various impurities (air, water), large ions, peculiarities of the structure of solvent molecules reflected. Considerable attention is given to new conceptions definitions, structural notions as well as theoretical and experimental methods of obtaining quantitative characteristics of ion solvation

On thermodynamic and microscopic reversibility

International Nuclear Information System (INIS)

Crooks, Gavin E

2011-01-01

The word 'reversible' has two (apparently) distinct applications in statistical thermodynamics. A thermodynamically reversible process indicates an experimental protocol for which the entropy change is zero, whereas the principle of microscopic reversibility asserts that the probability of any trajectory of a system through phase space equals that of the time reversed trajectory. However, these two terms are actually synonymous: a thermodynamically reversible process is microscopically reversible, and vice versa

Understanding first law of thermodynamics through activities

Science.gov (United States)

Pathare, Shirish; Huli, Saurabhee; Ladage, Savita; Pradhan, H. C.

2018-03-01

The first law of thermodynamics involves several types of energies and many studies have shown that students lack awareness of them. They have difficulties in applying the law to different thermodynamic processes. These observations were confirmed in our pilot studies, carried out with students from undergraduate colleges across the whole of India. We, then, decided to develop an activity-based module to address students’ conceptual difficulties in this area. In particular, we took up the cases of both adiabatic and isothermal compression of an ideal gas. We tested, through a two-group pre and post test design, the effectiveness of the module.

Misuse of thermodynamic entropy in economics

International Nuclear Information System (INIS)

Kovalev, Andrey V.

2016-01-01

The direct relationship between thermodynamic entropy and economic scarcity is only valid for a thermodynamically isolated economy. References to the second law of thermodynamics in economics within the context of scarcity ignore the fact that the earth is not an isolated system. The earth interacts with external sources and sinks of entropy and the resulting total entropy fluctuates around a constant. Even if the mankind finally proves unable to recycle industrial waste and close the technological cycle, the economic disruption caused by the depletion of natural resources may happen while the total thermodynamic entropy of the ecosystem remains essentially at the present level, because the transfer of chemically refined products may not increase significantly the total entropy, but it may decrease their recyclability. The inutility of industrial waste is not connected with its entropy, which may be exemplified with the case of alumina production. The case also demonstrates that industrially generated entropy is discharged into surroundings without being accumulated in ‘thermodynamically unavailable matter’. Material entropy, as a measure of complexity and economic dispersal of resources, can be a recyclability metric, but it is not a thermodynamic parameter, and its growth is not equivalent to the growth of thermodynamic entropy. - Highlights: • Entropy cannot be used as a measure of economic scarcity. • There is no anthropogenic entropy separate from the entropy produced naturally. • Inutility of industrial waste is not connected with its thermodynamic entropy. • Industrially generated entropy may or may not be accumulated in industrial waste. • Recyclability is more important than thermodynamic entropy of a product.

Geometrical thermodynamics and P-V criticality of the black holes with power-law Maxwell field

Energy Technology Data Exchange (ETDEWEB)

Hendi, S.H.; Panah, B.E. [Shiraz University, Physics Department and Biruni Observatory, College of Sciences, Shiraz (Iran, Islamic Republic of); Research Institute for Astronomy and Astrophysics of Maragha (RIAAM), Maragha (Iran, Islamic Republic of); Panahiyan, S. [Shiraz University, Physics Department and Biruni Observatory, College of Sciences, Shiraz (Iran, Islamic Republic of); Shahid Beheshti University, Physics Department, Tehran (Iran, Islamic Republic of); Talezadeh, M.S. [Shiraz University, Physics Department and Biruni Observatory, College of Sciences, Shiraz (Iran, Islamic Republic of)

2017-02-15

We study the thermodynamical structure of Einstein black holes in the presence of power Maxwell invariant nonlinear electrodynamics for two different cases. The behavior of temperature and conditions regarding the stability of these black holes are investigated. Since the language of geometry is an effective method in general relativity, we concentrate on the geometrical thermodynamics to build a phase space for studying thermodynamical properties of these black holes. In addition, taking into account the denominator of the heat capacity, we use the proportionality between cosmological constant and thermodynamical pressure to extract the critical values for these black holes. Besides, the effects of the variation of different parameters on the thermodynamical structure of these black holes are investigated. Furthermore, some thermodynamical properties such as the volume expansion coefficient, speed of sound, and isothermal compressibility coefficient are calculated and some remarks regarding these quantities are given. (orig.)

Geometrical thermodynamics and P-V criticality of the black holes with power-law Maxwell field

International Nuclear Information System (INIS)

Hendi, S.H.; Panah, B.E.; Panahiyan, S.; Talezadeh, M.S.

2017-01-01

We study the thermodynamical structure of Einstein black holes in the presence of power Maxwell invariant nonlinear electrodynamics for two different cases. The behavior of temperature and conditions regarding the stability of these black holes are investigated. Since the language of geometry is an effective method in general relativity, we concentrate on the geometrical thermodynamics to build a phase space for studying thermodynamical properties of these black holes. In addition, taking into account the denominator of the heat capacity, we use the proportionality between cosmological constant and thermodynamical pressure to extract the critical values for these black holes. Besides, the effects of the variation of different parameters on the thermodynamical structure of these black holes are investigated. Furthermore, some thermodynamical properties such as the volume expansion coefficient, speed of sound, and isothermal compressibility coefficient are calculated and some remarks regarding these quantities are given. (orig.)

Thermodynamics of an accelerated expanding universe

International Nuclear Information System (INIS)

Wang Bin; Gong Yungui; Abdalla, Elcio

2006-01-01

We investigate the laws of thermodynamics in an accelerating universe driven by dark energy with a time-dependent equation of state. In the case we consider that the physically relevant part of the Universe is that enveloped by the dynamical apparent horizon, we have shown that both the first law and second law of thermodynamics are satisfied. On the other hand, if the boundary of the Universe is considered to be the cosmological event horizon the thermodynamical description based on the definitions of boundary entropy and temperature breaks down. No parameter redefinition can rescue the thermodynamics laws from such a fate, rendering the cosmological event horizon unphysical from the point of view of the laws of thermodynamics

Application of Statistical Thermodynamics in Refrigeration

International Nuclear Information System (INIS)

Avsec, J.; Marcic, M.

1999-01-01

The paper presents the mathematical model for computing the thermodynamical properties in the liquid, gas and two-phase domain by means of statistical thermodynamics. The paper features all important components (translation, rotation, internal rotation, vibration, intermolecular potential energy and influence of electron and nuclei excitation). To calculate the thermodynamic properties of real gases, we have developed the cluster theory, which yields better results than the virial equation. In case of real liquids, the Johnson-Zollweg-Gubbins model based on the modified Benedict-Webb-Rubin (BWR) equation was applied. The Lennard-Jones intermolecular potential was used. The analytical results are compared with the thermodynamical data and models obtained from classical thermodynamics, and they show relatively good agreement. (author)

Bottomonium spectrum revisited

CERN Document Server

Segovia, Jorge; Entem, David R.; Fernández, Francisco

2016-01-01

We revisit the bottomonium spectrum motivated by the recently exciting experimental progress in the observation of new bottomonium states, both conventional and unconventional. Our framework is a nonrelativistic constituent quark model which has been applied to a wide range of hadronic observables from the light to the heavy quark sector and thus the model parameters are completely constrained. Beyond the spectrum, we provide a large number of electromagnetic, strong and hadronic decays in order to discuss the quark content of the bottomonium states and give more insights about the better way to determine their properties experimentally.

PERCEPTION OF JUSTICE, POST SERVICE RECOVERY SATISFACTION, INTENTION TO REVISIT AND WOM RECOMMENDATIONS OF FOREIGN TOURISTS VISITING BALI

Directory of Open Access Journals (Sweden)

I Nyoman Sudiarta

2014-03-01

Full Text Available This study aimed to determine the effect of perceptions of distributive, procedural and interactional justice on post-service recovery satisfaction and post-service recovery satisfaction effect on the intention to revisit and WOM recommendations of foreign tourists to Bali. The respondents of this study were foreign tourists who visited Bali and ever experienced complaint. The number of eligible samples was 100 respondents. The questionnaire was given to tourists visiting tourist attractions of Tanah Lot, Kintamani and Besakih. Data were analyzed using multivariate statistical analysis, namely structural equation modeling (SEM. The results of this study indicated that the perception of distributive justice, procedural and interactional had a positive and significant effect on the post-service recovery satisfaction of foreign tourists who visited Bali. The study also found a positive and significant effect of post-service recovery satisfaction on the intention to revisit and the intention of recommending positive WOM of foreign tourists who visited Bali.

Interpretation of transport barriers and of subneoclassical transport in the framework of the revisited neoclassical theory

International Nuclear Information System (INIS)

Rogister, A.L.

1999-01-01

'Subneoclassical' heat fluxes are predicted in the high collisionality regime by the revisited neoclassical theory, which includes the roles of Finite Larmor Radius effects and Inertia, that we published earlier. Unlike conventional neoclassical theory, the revisited theory further provides a non degenerate ambipolarity constraint which defines unambiguously the radial electric field. Together with the parallel momentum equation, the ambipolarity constraint leads, under some conditions, to radial electric field profiles with high negative shear akin to those observed in spontaneous edge transport barriers. The predictions of the theory are outlined, with emphasis laid on the interpretation of experimental results such as magnitude of the jumps, width of the shear layer, local scaling laws. Extension of the theory to triggered transitions and cold pulse propagation studies is suggested. (author)

Thermodynamic mixing effects of liquid ternary Au–Fe–Pd alloys by computer-aided Knudsen cell mass spectrometry

International Nuclear Information System (INIS)

Tomiska, Josef

2012-01-01

Highlights: ► Thermodynamic mixing behavior of liquid Au–Fe–Pd alloys over the whole range of composition. ► Experimental investigations by means of the computer-aided Knudsen cell mass spectrometry. ► Algebraic representation of the molar excess properties by TAP series concept. ► The corresponding TAP parameters are presented. ► The values of all molar excess functions, and thermodynamic activities at 1850 K are given. - Abstract: Thermodynamic investigations on liquid ternary Au–Fe–Pd alloys have been performed by means of the computer-aided Knudsen cell mass spectrometry. The “Digital Intensity-Ratio” (DIR) – method has been applied for the determination of the thermodynamic mixing behaviour. The ternary thermodynamically adapted power (TAP) series concept is used for the algebraic representation of the molar excess properties. The corresponding TAP parameters, and the values of the molar excess quantities Z E (Z = Gibbs energy G, heat of mixing H, and entropy S) as well as the thermodynamic activities of all three constituents at 1850 K are presented.

New perspectives in thermodynamics

International Nuclear Information System (INIS)

Serrin, J.

1986-01-01

The last decade has seen a unity of method and approach in the foundations of thermodynamics and continuum mechanics, in which rigorous laws of thermodynamics have been combined with invariance notions of mechanics to produce new and deep understanding. Real progress has been made in finding a set of appropriate concepts for classical thermodynamics, by which energy conservation and the Clausius inequality can be given well-defined meanings for arbitrary processes and which allow an approach to the entropy concept which is free of traditional ambiguities. There has been, moreover, a careful scrutiny of long established but nevertheless not sharply defined concepts such as the Maxwell equal-area rule, the famous Gibbs phase rule, and the equivalence of work and heat. The thirteen papers in this volume accordingly gather together for the first time the many ideas and concepts which have raised classical thermodynamics from a heuristic and intuitive science to the level of precision presently demanded of other branches of mathematical physics

Workshop on Teaching Thermodynamics

CERN Document Server

1985-01-01

It seemed appropriate to arrange a meeting of teachers of thermodynamics in the United Kingdom, a meeting held in the pleasant surroundings of Emmanuel College, Cambridge, in Sept~mber, 1984. This volume records the ideas put forward by authors, the discussion generated and an account of the action that discussion has initiated. Emphasis was placed on the Teaching of Thermodynamics to degree-level students in their first and second years. The meeting, a workshop for practitioners in which all were expected to take part, was remarkably well supported. This was notable in the representation of essentially every UK university and polytechnic engaged in teaching engineering thermodynamics and has led to a stimulating spread of ideas. By intention, the emphasis for attendance was put on teachers of engineering concerned with thermodynamics, both mechanical and chemical engineering disciplines. Attendance from others was encouraged but limited as follows: non-engineering acad­ emics, 10%, industrialists, 10%. The ...

Hospital revisit rate after a diagnosis of conversion disorder.

Science.gov (United States)

Merkler, Alexander E; Parikh, Neal S; Chaudhry, Simriti; Chait, Alanna; Allen, Nicole C; Navi, Babak B; Kamel, Hooman

2016-04-01

To estimate the hospital revisit rate of patients diagnosed with conversion disorder (CD). Using administrative data, we identified all patients discharged from California, Florida and New York emergency departments (EDs) and acute care hospitals between 2005 and 2011 with a primary discharge diagnosis of CD. Patients discharged with a primary diagnosis of seizure or transient global amnesia (TGA) served as control groups. Our primary outcome was the rate of repeat ED visits and hospital admissions after initial presentation. Poisson regression was used to compare rates between diagnosis groups while adjusting for demographic characteristics. We identified 7946 patients discharged with a primary diagnosis of CD. During a mean follow-up of 3.0 (±1.6) years, patients with CD had a median of three (IQR, 1-9) ED or inpatient revisits, compared with 0 (IQR, 0-2) in patients with TGA and 3 (IQR, 1-7) in those with seizures. Revisit rates were 18.25 (95% CI, 18.10 to 18.40) visits per 100 patients per month in those with CD, 3.90 (95% CI, 3.84 to 3.95) in those with TGA and 17.78 (95% CI, 17.75 to 17.81) in those with seizures. As compared to CD, the incidence rate ratio for repeat ED visits or hospitalisations was 0.89 (95% CI, 0.86 to 0.93) for seizure disorder and 0.32 (95% CI 0.31 to 0.34) for TGA. CD is associated with a substantial hospital revisit rate. Our findings suggest that CD is not an acute, time-limited response to stress, but rather that CD is a manifestation of a broader pattern of chronic neuropsychiatric disease. Published by the BMJ Publishing Group Limited. For permission to use (where not already granted under a licence) please go to http://www.bmj.com/company/products-services/rights-and-licensing/

Efficiency of an air-cooled thermodynamic cycle

International Nuclear Information System (INIS)

Bezborodov, Yu.A.; Bubnov, V.P.; Nesterenko, V.B.

1979-01-01

The application of air, nitrogen, helium and the chemically reacting N 2 O 4 reversible 2NO 2 reversible 2NO + O 2 system as working agents and coolants for a low capacity nuclear power plant is investigated. The above system due to its physico-chemical and thermo-physical properties allows both a gaseous cycle and a cycle with condensation. The analysis has shown that a thermodynamic air-cooled cycle with the dissociating nitrogen tetroxide in the temperature range from 500 to 600 deg C has an advantage over cycles with air and nitrogen. To identify the chemical reaction kinetics in the thermodynamic processes, thermodynamic calculations of the gas-liquid cycle with N 2 O 4 both with simple and intermediate heat regeneration at different pressures over hot side were performed. At gas pressures lower than 12 - 15 atm, the cycle with a simple regeneration is more effective, and at pressure increase, the cycle with an intermediate regeneration is preferable

Service-Learning in Crisis Communication Education: Revisiting Coombs' Objectives for the Crisis Communication Course

Science.gov (United States)

Maresh-Fuehrer, Michelle M.

2015-01-01

The purpose of this study was to revisit Coombs' suggestions for teaching the crisis communication course using service-learning as a framework. The author sought to assess the effectiveness of using this method in terms of the benefits to both students and the partnering organization and students' perceptions of whether they met the learning…

Predictions of titanium alloy properties using thermodynamic modeling tools

Science.gov (United States)

Zhang, F.; Xie, F.-Y.; Chen, S.-L.; Chang, Y. A.; Furrer, D.; Venkatesh, V.

2005-12-01

Thermodynamic modeling tools have become essential in understanding the effect of alloy chemistry on the final microstructure of a material. Implementation of such tools to improve titanium processing via parameter optimization has resulted in significant cost savings through the elimination of shop/laboratory trials and tests. In this study, a thermodynamic modeling tool developed at CompuTherm, LLC, is being used to predict β transus, phase proportions, phase chemistries, partitioning coefficients, and phase boundaries of multicomponent titanium alloys. This modeling tool includes Pandat, software for multicomponent phase equilibrium calculations, and PanTitanium, a thermodynamic database for titanium alloys. Model predictions are compared with experimental results for one α-β alloy (Ti-64) and two near-β alloys (Ti-17 and Ti-10-2-3). The alloying elements, especially the interstitial elements O, N, H, and C, have been shown to have a significant effect on the β transus temperature, and are discussed in more detail herein.

Thermodynamic study of selected monoterpenes II

International Nuclear Information System (INIS)

Štejfa, Vojtěch; Fulem, Michal; Růžička, Květoslav; Červinka, Ctirad

2014-01-01

Highlights: • (−)-Borneol, (−)-camphor, (±)-camphene, and (+)-fenchone were studied. • New thermodynamic data were measured and calculated. • Most of thermodynamic data are reported for the first time. - Abstract: A thermodynamic study of selected monoterpenes, (−)-borneol, (−)-camphor, (±)-camphene, and (+)-fenchone is presented in this work. The vapor pressure measurements were performed using the static method over the environmentally important temperature range from (238 to 308) K. Heat capacities of condensed phases were measured by Tian–Calvet calorimetry in the temperature interval from (258 to 355) K. The phase behavior was investigated by differential scanning calorimetry (DSC) from subambient temperatures up to the fusion temperatures. The thermodynamic properties in the ideal-gas state were calculated by combining statistical thermodynamic and density functional theory (DFT) calculations. Calculated ideal-gas heat capacities and experimental data for vapor pressures and condensed phase heat capacities were treated simultaneously to obtain a consistent thermodynamic description

The Future of Engineering Education--Revisited

Science.gov (United States)

Wankat, Phillip C.; Bullard, Lisa G.

2016-01-01

This paper revisits the landmark CEE series, "The Future of Engineering Education," published in 2000 (available free in the CEE archives on the internet) to examine the predictions made in the original paper as well as the tools and approaches documented. Most of the advice offered in the original series remains current. Despite new…

Effects of some salts on H2O as probed by a thermodynamic signature of glycerol: towards understanding the Hofmeister effects (VII)

DEFF Research Database (Denmark)

Koga, Yoshikata; Westh, Peter

2014-01-01

. Namely, we devised a methodology whereby the effect of an ion on H2O is characterized by two orthogonal indices, hydrophobicity and hydrophilicity, by using a third order thermodynamic signature of hydrophobic 1-propanol (1P) as a probe, the 1P-probing methodology. The results indicated that the common...

Tritium aging effect on thermodynamic functions of LaNi4.9Al0.1

International Nuclear Information System (INIS)

Xiong Yifu; Li Rong; Luo Deli

2001-01-01

The influence of tritium aging on thermodynamic function of LaNi 4.9 Al 0.1 is measured. The results show that plateau pressures and reversible hydrogen capacity decrease with aging time, thermodynamics parameters such as ΔH, ΔS and plateau slopes of the P-T curve increase with aging time, tritium heel formed after 1120 d tritium exposure

Thermodynamic properties of diamond and wurtzite model fluids from computer simulation and thermodynamic perturbation theory

Science.gov (United States)

Zhou, S.; Solana, J. R.

2018-03-01

Monte Carlo NVT simulations have been performed to obtain the thermodynamic and structural properties and perturbation coefficients up to third order in the inverse temperature expansion of the Helmholtz free energy of fluids with potential models proposed in the literature for diamond and wurtzite lattices. These data are used to analyze performance of a coupling parameter series expansion (CPSE). The main findings are summarized as follows, (1) The CPSE provides accurate predictions of the first three coefficient in the inverse temperature expansion of Helmholtz free energy for the potential models considered and the thermodynamic properties of these fluids are predicted more accurately when the CPSE is truncated at second or third order. (2) The Barker-Henderson (BH) recipe is appropriate for determining the effective hard sphere diameter for strongly repulsive potential cores, but its performance worsens with increasing the softness of the potential core. (3) For some thermodynamic properties the first-order CPSE works better for the diamond potential, whose tail is dominated by repulsive interactions, than for the potential, whose tail is dominated by attractive interactions. However, the first-order CPSE provides unsatisfactory results for the excess internal energy and constant-volume excess heat capacity for the two potential models.

How thermodynamic environments control stratocumulus microphysics and interactions with aerosols

International Nuclear Information System (INIS)

Andersen, Hendrik; Cermak, Jan

2015-01-01

Aerosol–cloud interactions are central to climate system changes and depend on meteorological conditions. This study identifies distinct thermodynamic regimes and proposes a conceptual framework for interpreting aerosol effects. In the analysis, ten years (2003–2012) of daily satellite-derived aerosol and cloud products are combined with reanalysis data to identify factors controlling Southeast Atlantic stratocumulus microphysics. Considering the seasonal influence of aerosol input from biomass burning, thermodynamic environments that feature contrasting microphysical cloud properties and aerosol–cloud relations are classified. While aerosol impact is stronger in unstable environments, it is mostly confined to situations with low aerosol loading (aerosol index AI ≲ 0.15), implying a saturation of aerosol effects. Situations with high aerosol loading are associated with weaker, seasonally contrasting aerosol-droplet size relationships, likely caused by thermodynamically induced processes and aerosol swelling. (letter)

THERMODYNAMIC PARAMETERS OF POTASSIUM BITARTRATE DURING THE YOUNG WINES COLD STABILIZATION

Directory of Open Access Journals (Sweden)

Ecaterina Covaci

2015-06-01

Full Text Available The present work was undertaken to study the effect of the treatment temperature on the potassium bitartrate stability and composition of young wines. The thermodynamic parameters, namely ∆G°, ∆H°, ∆S° were calculated to predict the nature of potassium hydrogen tartrate (KHT precipitation. According to the achieved results, the exothermal nature and thermodynamical feasibility of KHT precipitation in young wines were established. Based on thermodynamics, negative ∆G°, ∆H° values and positive ∆S° value give a spontaneous KHT process at lower temperatures.

(Amino acid + silica) adsorption thermodynamics: Effects of temperature

International Nuclear Information System (INIS)

Sebben, Damien; Pendleton, Phillip

2015-01-01

Highlights: • High resolution, low concentration Gly, Lys and Glu solution adsorption isotherms. • All isotherms fitted with Langmuir–Freundlich isotherm model. • Gly, Lys and Glu show exothermic adsorption processes. • Isosteric heat analyses reveal changes in interaction strength with surface coverage. - Abstract: A thorough understanding of amino acid adsorption by mineral and oxide surfaces has a major impact on a variety of industrial and biomedical applications. Little information currently exists regarding temperature effects on most of these adsorption processes. Deeper thermodynamic analyses of their multiple temperature adsorption isotherms would aid the interpretation of the interfacial interactions. Low solution concentration adsorption isotherms for glycine, lysine and glutamic acid on a silica adsorbent were generated for T = (291, 298 and 310) K. Data analysis via the Clausius–Clapeyron method yielded the isosteric heat of adsorption as a function of fractional monolayer coverage for each adsorptive. Each amino acid showed an exothermic adsorption response. Glycine and lysine experienced a greater negative effect of increased temperature compared with glutamic acid, indicating a greater number of adsorbed molecules than glutamic acid, with the former undergoing intermolecular clustering within the adsorbed phase. Isosteric heat analyses suggest ionic interactions for lysine and hydrogen bonding for glutamic acid, both weakening with increased coverage. In contrast, initial hydrogen bonding led to ionic bonding for glycine with increasing coverage

Thermodynamic Resistance to Matter Flow at The Interface of a Porous Membrane.

Science.gov (United States)

Glavatskiy, K S; Bhatia, Suresh K

2016-04-12

Nanoporous materials are important in industrial separation, but their application is subject to strong interfacial barriers to the entry and transport of fluids. At certain conditions the fluid inside and outside the nanoporous material can be viewed as a two-phase system, with an interface between them, which poses an excess resistance to matter flow. We show that there exist two kinds of phenomena which influence the interfacial resistance: hydrodynamic effects and thermodynamic effects, which are independent of each other. Here, we investigate the role of the thermodynamic effects in carbon nanotubes (CNTs) and slit pores and compare the associated thermodynmic resistance with that due to hydrodynamic effects traditionally modeled by the established Sampson expression. Using CH4 and CO2 as model fluids, we show that the thermodynamic resistance is especially important for moderate to high pressures, at which the fluid within the CNT or slit pore is in the condensed state. Further, we show that at such pressures the thermodynamic resistance becomes comparable with the internal resistance to fluid transport at length scales typical of membranes used in fuel cells, and of importance in membrane-based separation, and nanofluidics in general.

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.

Thermodynamic limit and decoherence: rigorous results

Energy Technology Data Exchange (ETDEWEB)

Frasca, Marco [Via Erasmo Gattamelata 3, 00176 Rome (Italy)

2007-05-15

Time evolution operator in quantum mechanics can be changed into a statistical operator by a Wick rotation. This strict relation between statistical mechanics and quantum evolution can reveal deep results when the thermodynamic limit is considered. These results translate in a set of theorems proving that these effects can be effectively at work producing an emerging classical world without recurring to any external entity that in some cases cannot be properly defined. For a many-body system it has been recently shown that Gaussian decay of the coherence is the rule with a duration of recurrence more and more small as the number of particles increases. This effect has been observed experimentally. More generally, a theorem about coherence of bulk matter can be proved. All this takes us to the conclusion that a well defined boundary for the quantum to classical world does exist and that can be drawn by the thermodynamic limit, extending in this way the deep link between statistical mechanics and quantum evolution to a high degree.

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.

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)

The interactions between IC engine thermodynamics and knock

International Nuclear Information System (INIS)

Caton, Jerald A.

2017-01-01

Highlights: • Importance of engine thermodynamics regarding knock was quantified. • Effects of compression ratio, engine speed and EGR on knock was reported. • Retarding combustion to avoid knock resulted in decreases of efficiency. - Abstract: The development of high efficiency spark-ignition internal combustion engines is often constrained by the occurrence of knock. Knock may result in engine damage, lower performance, and lower efficiency. The options for preventing knock often involve lower compression ratios, lower boost, retarded spark timing, and other design choices that are detrimental to engine performance and efficiency. Since knock is largely a function of the thermodynamic state of the unburned zone, the occurrence of knock is expected to be a strong function of the engine thermodynamics. The purpose of the current work is to couple a simple knock model with a comprehensive engine cycle simulation to determine the interactions between the engine thermodynamics and knock. This work has explored the effects of engine parameters such as compression ratio (4–12), engine speed (500–2500 rpm), inlet pressure (50–100 kPa), exhaust gas recirculation (0–25%), combustion duration and heat transfer on knock. In each case, the occurrence of knock is connected to the cylinder pressures and the gas temperatures of the unburned zone. For example for a compression ratio of 12, to avoid knock the brake thermal efficiency decreased from 36.5% to 34% due to retarding the combustion.

Gravitation, Thermodynamics, and Quantum Theory

OpenAIRE

Wald, Robert M.

1999-01-01

During the past 30 years, research in general relativity has brought to light strong hints of a very deep and fundamental relationship between gravitation, thermodynamics, and quantum theory. The most striking indication of such a relationship comes from black hole thermodynamics, where it appears that certain laws of black hole mechanics are, in fact, simply the ordinary laws of thermodynamics applied to a system containing a black hole. This article will review the present status of black h...

Thermodynamic analysis of Mg-doped p-type GaN semiconductor

International Nuclear Information System (INIS)

Li Jingbo; Liang Jingkui; Rao Guanghui; Zhang Yi; Liu Guangyao; Chen Jingran; Liu Quanlin; Zhang Weijing

2006-01-01

A thermodynamic modeling of Mg-doped p-type GaN was carried out to describe the thermodynamic behaviors of native defects, dopants (Mg and H) and carriers in GaN. The formation energies of charged component compounds in a four-sublattice model were defined as functions of the Fermi-level based on the results of the first-principles calculations and adjusted to fit experimental data. The effect of the solubility of Mg on the low doping efficiency of Mg in GaN and the role of H in the Mg-doping MOCVD process were discussed. The modeling provides a thermodynamic approach to understand the doping process of GaN semiconductors

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

Thermodynamic Study of Tl6SBr4 Compound and Some Regularities in Thermodynamic Properties of Thallium Chalcohalides

Directory of Open Access Journals (Sweden)

Dunya Mahammad Babanly

2017-01-01

Full Text Available The solid-phase diagram of the Tl-TlBr-S system was clarified and the fundamental thermodynamic properties of Tl6SBr4 compound were studied on the basis of electromotive force (EMF measurements of concentration cells relative to a thallium electrode. The EMF results were used to calculate the relative partial thermodynamic functions of thallium in alloys and the standard integral thermodynamic functions (-ΔfG0, -ΔfH0, and S0298 of Tl6SBr4 compound. All data regarding thermodynamic properties of thallium chalcogen-halides are generalized and comparatively analyzed. Consequently, certain regularities between thermodynamic functions of thallium chalcogen-halides and their binary constituents as well as degree of ionization (DI of chemical bonding were revealed.

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.

Thermodynamic picture of the glassy state

NARCIS (Netherlands)

Nieuwenhuizen, T.M.

2000-01-01

A picture for the thermodynamics of the glassy state is introduced. It assumes that one extra parameter, the effective temperature, is needed to describe the glassy state. This explains the classical paradoxes concerning the Ehrenfest relations and the Prigogine-Defay ratio. As a second feature, the

Revisiting Weak Simulation for Substochastic Markov Chains

DEFF Research Database (Denmark)

Jansen, David N.; Song, Lei; Zhang, Lijun

2013-01-01

of the logic PCTL\\x, and its completeness was conjectured. We revisit this result and show that soundness does not hold in general, but only for Markov chains without divergence. It is refuted for some systems with substochastic distributions. Moreover, we provide a counterexample to completeness...

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)

Development of a thermodynamic data base for selected heavy metals

International Nuclear Information System (INIS)

Hageman, Sven; Scharge, Tina; Willms, Thomas

2015-07-01

The report on the development of a thermodynamic data base for selected heavy metals covers the description of experimental methods, the thermodynamic model for chromate, the thermodynamic model for dichromate, the thermodynamic model for manganese (II), the thermodynamic model for cobalt, the thermodynamic model for nickel, the thermodynamic model for copper (I), the thermodynamic model for copper(II), the thermodynamic model for mercury (0) and mercury (I), the thermodynamic model for mercury (III), the thermodynamic model for arsenate.

Meta-analysis in clinical trials revisited.

Science.gov (United States)

DerSimonian, Rebecca; Laird, Nan

2015-11-01

In this paper, we revisit a 1986 article we published in this Journal, Meta-Analysis in Clinical Trials, where we introduced a random-effects model to summarize the evidence about treatment efficacy from a number of related clinical trials. Because of its simplicity and ease of implementation, our approach has been widely used (with more than 12,000 citations to date) and the "DerSimonian and Laird method" is now often referred to as the 'standard approach' or a 'popular' method for meta-analysis in medical and clinical research. The method is especially useful for providing an overall effect estimate and for characterizing the heterogeneity of effects across a series of studies. Here, we review the background that led to the original 1986 article, briefly describe the random-effects approach for meta-analysis, explore its use in various settings and trends over time and recommend a refinement to the method using a robust variance estimator for testing overall effect. We conclude with a discussion of repurposing the method for Big Data meta-analysis and Genome Wide Association Studies for studying the importance of genetic variants in complex diseases. Published by Elsevier Inc.

Polyakov loop and QCD thermodynamics from the gluon and ghost propagators

International Nuclear Information System (INIS)

Fukushima, Kenji; Kashiwa, Kouji

2013-01-01

We investigate quark deconfinement by calculating the effective potential of the Polyakov loop using the non-perturbative propagators in the Landau gauge measured in the finite-temperature lattice simulation. With the leading term in the 2-particle-irreducible formalism the resultant effective potential exhibits a first-order phase transitions for the pure SU(3) Yang–Mills theory at the critical temperature consistent with the empirical value. We also estimate the thermodynamic quantities to confirm qualitative agreement with the lattice data near the critical temperature. We then apply our effective potential to the chiral model-study and calculate the order parameters and the thermodynamic quantities. Unlike the case in the pure Yang–Mills theory the thermodynamic quantities are sensitive to the temperature dependence of the non-perturbative propagators, while the behavior of the order parameters is less sensitive, which implies the importance of the precise determination of the temperature-dependent propagators

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.

Theoretical investigation of the thermodynamic properties of metallic thin films

International Nuclear Information System (INIS)

Hung, Vu Van; Phuong, Duong Dai; Hoa, Nguyen Thi; Hieu, Ho Khac

2015-01-01

The thermodynamic properties of metallic thin films with face-centered cubic structure at ambient conditions were investigated using the statistical moment method including the anharmonicity effects of thermal lattice vibrations. The analytical expressions of Helmholtz free energy, lattice parameter, linear thermal expansion coefficient, specific heats at the constant volume and constant pressure were derived in terms of the power moments of the atomic displacements. Numerical calculations of thermodynamic properties have been performed for Au and Al thin films and compared with those of bulk metals. This research proposes that thermodynamic quantities of thin films approach the values of bulk when the thickness of thin film is about 70 nm. - Highlights: • Thermodynamic properties of thin films were investigated using the moment method. • Expressions of Helmholtz energy, expansion coefficient, specific heats were derived. • Calculations for Au, Al thin films were performed and compared with those of bulks

Theoretical investigation of the thermodynamic properties of metallic thin films

Energy Technology Data Exchange (ETDEWEB)

Hung, Vu Van [Vietnam Education Publishing House, 81 Tran Hung Dao, Hanoi (Viet Nam); Phuong, Duong Dai [Hanoi National University of Education, 136 Xuan Thuy, Hanoi (Viet Nam); Hoa, Nguyen Thi [University of Transport and Communications, Lang Thuong, Dong Da, Hanoi (Viet Nam); Hieu, Ho Khac, E-mail: hieuhk@duytan.edu.vn [Institute of Research and Development, Duy Tan University, K7/25 Quang Trung, Danang (Viet Nam)

2015-05-29

The thermodynamic properties of metallic thin films with face-centered cubic structure at ambient conditions were investigated using the statistical moment method including the anharmonicity effects of thermal lattice vibrations. The analytical expressions of Helmholtz free energy, lattice parameter, linear thermal expansion coefficient, specific heats at the constant volume and constant pressure were derived in terms of the power moments of the atomic displacements. Numerical calculations of thermodynamic properties have been performed for Au and Al thin films and compared with those of bulk metals. This research proposes that thermodynamic quantities of thin films approach the values of bulk when the thickness of thin film is about 70 nm. - Highlights: • Thermodynamic properties of thin films were investigated using the moment method. • Expressions of Helmholtz energy, expansion coefficient, specific heats were derived. • Calculations for Au, Al thin films were performed and compared with those of bulks.

Thermodynamic origin of nonimaging optics

Science.gov (United States)

Jiang, Lun; Winston, Roland

2016-10-01

Nonimaging optics is the theory of thermodynamically efficient optics and as such depends more on thermodynamics than on optics. Hence, in this paper, a condition for the "best" design is proposed based on purely thermodynamic arguments, which we believe has profound consequences for the designs of thermal and even photovoltaic systems. This way of looking at the problem of efficient concentration depends on probabilities, the ingredients of entropy and information theory, while "optics" in the conventional sense recedes into the background. Much of the paper is pedagogical and retrospective. Some of the development of flowline designs will be introduced at the end and the connection between the thermodynamics and flowline design will be graphically presented. We will conclude with some speculative directions of where the ideas might lead.

Thermodynamic efficiency of solar concentrators.

Science.gov (United States)

Shatz, Narkis; Bortz, John; Winston, Roland

2010-04-26

The optical thermodynamic efficiency is a comprehensive metric that takes into account all loss mechanisms associated with transferring flux from the source to the target phase space, which may include losses due to inadequate design, non-ideal materials, fabrication errors, and less than maximal concentration. We discuss consequences of Fermat's principle of geometrical optics and review étendue dilution and optical loss mechanisms associated with nonimaging concentrators. We develop an expression for the optical thermodynamic efficiency which combines the first and second laws of thermodynamics. As such, this metric is a gold standard for evaluating the performance of nonimaging concentrators. We provide examples illustrating the use of this new metric for concentrating photovoltaic systems for solar power applications, and in particular show how skewness mismatch limits the attainable optical thermodynamic efficiency.

Thermodynamic restrictions on linear reversible and irreversible thermo-electro-magneto-mechanical processes

Directory of Open Access Journals (Sweden)

Sushma Santapuri

2016-10-01

Full Text Available A unified thermodynamic framework for the characterization of functional materials is developed. This framework encompasses linear reversible and irreversible processes with thermal, electrical, magnetic, and/or mechanical effects coupled. The comprehensive framework combines the principles of classical equilibrium and non-equilibrium thermodynamics with electrodynamics of continua in the infinitesimal strain regime.In the first part of this paper, linear Thermo-Electro-Magneto-Mechanical (TEMM quasistatic processes are characterized. Thermodynamic stability conditions are further imposed on the linear constitutive model and restrictions on the corresponding material constants are derived. The framework is then extended to irreversible transport phenomena including thermoelectric, thermomagnetic and the state-of-the-art spintronic and spin caloritronic effects. Using Onsager's reciprocity relationships and the dissipation inequality, restrictions on the kinetic coefficients corresponding to charge, heat and spin transport processes are derived. All the constitutive models are accompanied by multiphysics interaction diagrams that highlight the various processes that can be characterized using this framework. Keywords: Applied mathematics, Materials science, Thermodynamics

Polarized quark distributions in bound nucleon and polarized EMC effect in Thermodynamical Bag Model

Energy Technology Data Exchange (ETDEWEB)

Ganesamurthy, Kuppusamy, E-mail: udckgm@sify.co [Research Department of Physics, Urumu Dhanalakshmi College, Trichy 620019 (India); Sambasivam, Raghavan, E-mail: udcsam@sify.co [Research Department of Physics, Urumu Dhanalakshmi College, Trichy 620019 (India)

2011-04-15

The polarized parton distribution functions (PDFs) and nuclear structure functions are evaluated by the phenomenological Thermodynamical Bag Model for nuclear media {sup 7}Li and {sup 27}Al. The Fermi statistical distribution function which includes the spin degree of freedom is used in this statistical model. We predict a sizeable polarized EMC effect. The results of quark spin sum and axial coupling constant of bound nucleons are compared with theoretical predictions of modified Nambu-Jona-Lasinio (NJL) model by Bentz et al.

Thermodynamics and Efficiency of a CuCl(aq)/HCl(aq) Electrolyzer

International Nuclear Information System (INIS)

Hall, Derek M.; Akinfiev, Nikolay N.; LaRow, Eric G.; Schatz, Richard S.; Lvov, Serguei N.

2014-01-01

The high ionic strength and complex speciation of the anolyte solution within the CuCl(aq)/HCl(aq) electrolytic cell have impeded predictions of the energy requirements for the cell's electrolytic reaction at 25 °C and 1 bar. After collecting experimental open circuit potential (OCP) data and comparing the values obtained with predictions from prospective thermodynamic models, an approach to predict thermodynamic values and the overall efficiency was formulated. The compositions of the experimental measurements ranged from 2-2.5 mol of CuCl(aq) with 8-9 mol of HCl(aq) per kilogram of water in anolyte solution and 8-9 mol of HCl(aq) per kilogram of water in catholyte solution. From the OCP data, it was found that activity coefficient and speciation effects were critical in predicting the Gibbs energy, entropy and thermodynamic (intrinsic maximum) efficiency of the electrolytic cell. At equilibrium, all thermodynamic functions of the anolyte redox reactions were the same after activity coefficients and speciation effects were taken into account. The electrochemical reactions’ Gibbs energy and entropy were found to be 9700 J/mol and 2.18 J/(mol K) at 25 °C and 1 bar, which indicated that the reactions required a small amount of electrical and thermal energy to proceed. With thermodynamic values for the electrolytic reaction and experimental data from a CuCl(aq)/HCl(aq) electrolytic cell, the voltage, current, thermodynamic and overall efficiency were calculated. The overall efficiency ranged from 15 to 95% depending on the current density

The thermodynamic solar energy

International Nuclear Information System (INIS)

Rivoire, B.

2002-04-01

The thermodynamic solar energy is the technic in the whole aiming to transform the solar radiation energy in high temperature heat and then in mechanical energy by a thermodynamic cycle. These technic are most often at an experimental scale. This paper describes and analyzes the research programs developed in the advanced countries, since 1980. (A.L.B.)

Quasiparticles and thermodynamical consistency

International Nuclear Information System (INIS)

Shanenko, A.A.; Biro, T.S.; Toneev, V.D.

2003-01-01

A brief and simple introduction into the problem of the thermodynamical consistency is given. The thermodynamical consistency relations, which should be taken into account under constructing a quasiparticle model, are found in a general manner from the finite-temperature extension of the Hellmann-Feynman theorem. Restrictions following from these relations are illustrated by simple physical examples. (author)

On the thermodynamics of biomolecule surface transformations.

Science.gov (United States)

Federici, Stefania; Oliviero, Giulio; Maiolo, Daniele; Depero, Laura E; Colombo, Italo; Bergese, Paolo

2012-06-01

Biological surface science is receiving great and renewed attention owing the rising interest in applications of nanoscience and nanotechnology to biological systems, with horizons that range from nanomedicine and biomimetic photosynthesis to the unexpected effects of nanomaterials on health and environment. Biomolecule surface transformations are among the fundamental aspects of the field that remain elusive so far and urgently need to be understood to further the field. Our recent findings indicate that surface thermodynamics can give a substantial contribution toward this challenging goal. In the first part of the article, we show that biomolecule surface transformations can be framed by a general and simple thermodynamic model. Then, we explore its effectiveness by addressing some typical cases, including ligand-receptor surface binding, protein thin film machines, nanomechanical aspects of the biomolecule-nanoparticle interface and nanomechanical biosensors. Copyright © 2012 Elsevier Inc. All rights reserved.

Revisiting the formal foundation of Probabilistic Databases

NARCIS (Netherlands)

Wanders, B.; van Keulen, Maurice

2015-01-01

One of the core problems in soft computing is dealing with uncertainty in data. In this paper, we revisit the formal foundation of a class of probabilistic databases with the purpose to (1) obtain data model independence, (2) separate metadata on uncertainty and probabilities from the raw data, (3)

Chemical Equilibrium as Balance of the Thermodynamic Forces

OpenAIRE

Zilbergleyt, B.

2004-01-01

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

Thermodynamic light on black holes

International Nuclear Information System (INIS)

Davies, P.

1977-01-01

The existence of black holes and their relevance to our understanding of the nature of space and time are considered, with especial reference to the application of thermodynamic arguments which can reveal their energy-transfer processes in a new light. The application of thermodynamics to strongly gravitating systems promises some fascinating new insights into the nature of gravity. Situations can occur during gravitational collapse in which existing physics breaks down. Under these circumstances, the application of universal thermodynamical principles might be our only guide. (U.K.)

Thermodynamics in f(G,T Gravity

Directory of Open Access Journals (Sweden)

M. Sharif

2018-01-01

Full Text Available This paper explores the nonequilibrium behavior of thermodynamics at the apparent horizon of isotropic and homogeneous universe model in f(G,T gravity (G and T represent the Gauss-Bonnet invariant and trace of the energy-momentum tensor, resp.. We construct the corresponding field equations and analyze the first as well as generalized second law of thermodynamics in this scenario. It is found that an auxiliary term corresponding to entropy production appears due to the nonequilibrium picture of thermodynamics in first law. The universal condition for the validity of generalized second law of thermodynamics is also obtained. Finally, we check the validity of generalized second law of thermodynamics for the reconstructed f(G,T models (de Sitter and power-law solutions. We conclude that this law holds for suitable choices of free parameters.

Revisiting Mutual Fund Performance Evaluation

OpenAIRE

Angelidis, Timotheos; Giamouridis, Daniel; Tessaromatis, Nikolaos

2012-01-01

Mutual fund manager excess performance should be measured relative to their self-reported benchmark rather than the return of a passive portfolio with the same risk characteristics. Ignoring the self-reported benchmark introduces biases in the measurement of stock selection and timing components of excess performance. We revisit baseline empirical evidence in mutual fund performance evaluation utilizing stock selection and timing measures that address these biases. We introduce a new factor e...

Investigating the effect of several thermodynamic parameters on exergy destruction in components of a tri-generation cycle

International Nuclear Information System (INIS)

Salehzadeh, A.; Khoshbakhti Saray, R.; JalaliVahid, D.

2013-01-01

Multiple energy generating cycles such as tri-generation cycles, which produce heat and cold in addition to power through burning of a primary fuel, have increasingly been used in recent decades. On the other hand, advanced exergy analysis of thermodynamic systems by splitting exergy destruction into endogenous and exogenous parts identifies internal irreversibilities of each of the components and the effect of these irreversibilities on the performance of other components. Therefore, main sources of exergy destruction in cycles can be highlighted and useful recommendations in order to improve the performance of thermodynamic cycles can be presented. In the present work, a tri-generation cycle with 100 MW power production, 70 MW heat and 9 MW cooling capacity is considered. For this tri-generation cycle, effects of various thermodynamic parameters on the amount of endogenous and exogenous exergy destructions, exergy loss and the amount of fuel consumption, are investigated. The results indicate that, increasing compressor pressure ratio, pre-heater outlet temperature and excess air leads to better combustion and lower exergy loss and fuel consumption. Increasing the mass flow rate of steam generator, while keeping the cycle outlet temperature constant and considering cooling capacity variable, lead to increase the first- and second-law efficiencies of the cycle. - Highlights: ► Advanced exergy analysis is used to analyze a tri-generation cycle. ► Increasing compressor pressure ratio leads to lower exergy loss and fuel consumption. ► Exergy loss is lowered by increasing pre-heater outlet temperature. ► Increasing the air flow rate of the cycle improves the performance of the cycle

Thermodynamic aspects of dynamical calibration of microbarometers used for IMS applications

International Nuclear Information System (INIS)

Starovojt, Yu.O.; Martysevich, P.N.; Kunakov, A.V.

2006-01-01

This paper describes the method of dynamical calibration of a microbarometer using the chamber with variable volume. The physics of this method is based on the thermodynamic process occurring inside the closed volume and on the corresponding relationships between pressure, volume and temperature changes caused by the movement of the piston attached to the inlet of the chamber. The method has been already used in several applications, however we consider essential to analyze its physical details. The paper gives the description of thermodynamic processes inside the calibration volume, the discussion of thermodynamics need and its effect on the calibration accuracy. (author)

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

Thermodynamic analysis of absorption refrigeration cycles using the second law of thermodynamics method

Energy Technology Data Exchange (ETDEWEB)

Aphornratana, S; Eames, I W [Sheffield Univ. (United Kingdom). Dept. of Mechanical and Process Engineering

1995-05-01

The paper provides an easy to follow description of the second law (of thermodynamics) method as applied to a single-effect absorption refrigerator cycle. Results are presented in a novel graphical format, which aids insight and understanding of those factors that most affect the performance of absorption refrigerators, and which in turn provides strong indicators for the direction of future research. A novel method of calculating the entropy of lithium bromide solutions is offered. (author)

Stability of black holes based on horizon thermodynamics

Directory of Open Access Journals (Sweden)

Meng-Sen Ma

2015-12-01

Full Text Available On the basis of horizon thermodynamics we study the thermodynamic stability of black holes constructed in general relativity and Gauss–Bonnet gravity. In the framework of horizon thermodynamics there are only five thermodynamic variables E, P, V, T, S. It is not necessary to consider concrete matter fields, which may contribute to the pressure of black hole thermodynamic system. In non-vacuum cases, we can derive the equation of state, P=P(V,T. According to the requirements of stable equilibrium in conventional thermodynamics, we start from these thermodynamic variables to calculate the heat capacity at constant pressure and Gibbs free energy and analyze the local and global thermodynamic stability of black holes. It is shown that P>0 is the necessary condition for black holes in general relativity to be thermodynamically stable, however this condition cannot be satisfied by many black holes in general relativity. For black hole in Gauss–Bonnet gravity negative pressure can be feasible, but only local stable black hole exists in this case.

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.

Thermodynamics, kinetics, and catalytic effect of dehydrogenation from MgH2 stepped surfaces and nanocluster: a DFT study

Science.gov (United States)

Reich, Jason; Wang, Linlin; Johnson, Duane

2013-03-01

We detail the results of a Density Functional Theory (DFT) based study of hydrogen desorption, including thermodynamics and kinetics with(out) catalytic dopants, on stepped (110) rutile and nanocluster MgH2. We investigate competing configurations (optimal surface and nanoparticle configurations) using simulated annealing with additional converged results at 0 K, necessary for finding the low-energy, doped MgH2 nanostructures. Thermodynamics of hydrogen desorption from unique dopant sites will be shown, as well as activation energies using the Nudged Elastic Band algorithm. To compare to experiment, both stepped structures and nanoclusters are required to understanding and predict the effects of ball milling. We demonstrate how these model systems relate to the intermediary sized structures typically seen in ball milling experiments.

Deterministic Graphical Games Revisited

DEFF Research Database (Denmark)

Andersson, Klas Olof Daniel; Hansen, Kristoffer Arnsfelt; Miltersen, Peter Bro

2012-01-01

Starting from Zermelo’s classical formal treatment of chess, we trace through history the analysis of two-player win/lose/draw games with perfect information and potentially infinite play. Such chess-like games have appeared in many different research communities, and methods for solving them......, such as retrograde analysis, have been rediscovered independently. We then revisit Washburn’s deterministic graphical games (DGGs), a natural generalization of chess-like games to arbitrary zero-sum payoffs. We study the complexity of solving DGGs and obtain an almost-linear time comparison-based algorithm...

Metamorphosis in Craniiformea revisited

DEFF Research Database (Denmark)

Altenburger, Andreas; Wanninger, Andreas; Holmer, Lars E.

2013-01-01

We revisited the brachiopod fold hypothesis and investigated metamorphosis in the craniiform brachiopod Novocrania anomala. Larval development is lecithotrophic and the dorsal (brachial) valve is secreted by dorsal epithelia. We found that the juvenile ventral valve, which consists only of a thin...... brachiopods during metamorphosis to cement their pedicle to the substrate. N. anomala is therefore not initially attached by a valve but by material corresponding to pedicle cuticle. This is different to previous descriptions, which had led to speculations about a folding event in the evolution of Brachiopoda...

Thermodynamics and kinetics of the glass transition: A generic geometric approach

International Nuclear Information System (INIS)

Gutzow, I.; Ilieva, D.; Babalievski, F.; Yamakov, V.

2000-01-01

A generic phenomenological theory of the glass transition is developed in the framework of a quasilinear formulation of the thermodynamics of irreversible processes. Starting from one of the basic principles of this science in its approximate form given by de Donder's equation, after a change of variables the temperature dependence of the structural parameter ξ(T), the thermodynamic potentials ΔG(tilde sign)(T), the thermodynamic functions and the time of molecular relaxation τ of vitrifying systems is constructed. In doing so, a new effect in the ΔG(tilde sign)(T) course is observed. The analysis of the higher derivatives of the thermodynamic potential, and especially the nullification of the second derivative of the configurational specific heats ΔC(tilde sign) p (T) of the vitrifying liquid defines glass transition temperature T(tilde sign) g and leads directly to the basic dependence of glass transition kinetics: the Frenkel-Kobeko-Reiner equation. The conditions guaranteeing the fulfillment of this equation specify the temperature dependence of the activation energy U(T,ξ(tilde sign)) for viscous flow and give a natural differentiation of glass formers into fragile and strong liquids. The effect of thermal prehistory on the temperature dependence of both thermodynamic functions and kinetic coefficients is established by an appropriate separation of de Donder's equation. (c) 2000 American Institute of Physics

Thermodynamic study of selected monoterpenes

Czech Academy of Sciences Publication Activity Database

Štejfa, V.; Fulem, Michal; Růžička, K.; Červinka, C.; Rocha, M.A.A.; Santos, L.M.N.B.F.; Schröder, B.

2013-01-01

Roč. 60, MAY (2013), 117-125 ISSN 0021-9614 Institutional support: RVO:68378271 Keywords : monoterpenes * pinene * vapor pressure * heat capacity * vaporization and sublimation enthalpy * ideal - gas thermodynamic Subject RIV: BJ - Thermodynamics Impact factor: 2.423, year: 2013

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...

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

Concise chemical thermodynamics

CERN Document Server

Peters, APH

2010-01-01

EnergyThe Realm of ThermodynamicsEnergy BookkeepingNature's Driving ForcesSetting the Scene: Basic IdeasSystem and SurroundingsFunctions of StateMechanical Work and Expanding GasesThe Absolute Temperature Scale Forms of Energy and Their Interconversion Forms of Renewable Energy Solar Energy Wind Energy Hydroelectric Power Geothermal Energy Biomass Energy References ProblemsThe First Law of Thermodynamics Statement of the First Law Reversible Expansion of an Ideal GasConstant-Volume ProcessesConstant-Pressure ProcessesA New Function: EnthalpyRelationship between ?H and ?UUses and Conventions of

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

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.

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...

Practical chemical thermodynamics for geoscientists

CERN Document Server

Fegley, Bruce, Jr

2012-01-01

Practical Chemical Thermodynamics for Geoscientists covers classical chemical thermodynamics and focuses on applications to practical problems in the geosciences, environmental sciences, and planetary sciences. This book will provide a strong theoretical foundation for students, while also proving beneficial for earth and planetary scientists seeking a review of thermodynamic principles and their application to a specific problem. Strong theoretical foundation and emphasis on applications Numerous worked examples in each chapter Brief historical summaries and biographies of key thermodynamicists-including their fundamental research and discoveries Extensive references to relevant literature.

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 new approach toward geometrical concept of black hole thermodynamics

Energy Technology Data Exchange (ETDEWEB)

Hendi, Seyed Hossein [Shiraz University, Physics Department and Biruni Observatory, College of Sciences, Shiraz (Iran, Islamic Republic of); Research Institute for Astronomy and Astrophysics of Maragha (RIAAM), Maragha (Iran, Islamic Republic of); Panahiyan, Shahram; Panah, Behzad Eslam; Momennia, Mehrab [Shiraz University, Physics Department and Biruni Observatory, College of Sciences, Shiraz (Iran, Islamic Republic of)

2015-10-15

Motivated by the energy representation of Riemannian metric, in this paper we study different approaches toward the geometrical concept of black hole thermodynamics. We investigate thermodynamical Ricci scalar of Weinhold, Ruppeiner and Quevedo metrics and show that their number and location of divergences do not coincide with phase transition points arisen from heat capacity. Next, we introduce a new metric to solve these problems. We show that the denominator of the Ricci scalar of the new metric contains terms which coincide with different types of phase transitions. We elaborate the effectiveness of the new metric and shortcomings of the previous metrics with some examples. Furthermore, we find a characteristic behavior of the new thermodynamical Ricci scalar which enables one to distinguish two types of phase transitions. In addition, we generalize the new metric for the cases of more than two extensive parameters and show that in these cases the divergencies of thermodynamical Ricci scalar coincide with phase transition points of the heat capacity. (orig.)

A new approach toward geometrical concept of black hole thermodynamics

International Nuclear Information System (INIS)

Hendi, Seyed Hossein; Panahiyan, Shahram; Panah, Behzad Eslam; Momennia, Mehrab

2015-01-01

Motivated by the energy representation of Riemannian metric, in this paper we study different approaches toward the geometrical concept of black hole thermodynamics. We investigate thermodynamical Ricci scalar of Weinhold, Ruppeiner and Quevedo metrics and show that their number and location of divergences do not coincide with phase transition points arisen from heat capacity. Next, we introduce a new metric to solve these problems. We show that the denominator of the Ricci scalar of the new metric contains terms which coincide with different types of phase transitions. We elaborate the effectiveness of the new metric and shortcomings of the previous metrics with some examples. Furthermore, we find a characteristic behavior of the new thermodynamical Ricci scalar which enables one to distinguish two types of phase transitions. In addition, we generalize the new metric for the cases of more than two extensive parameters and show that in these cases the divergencies of thermodynamical Ricci scalar coincide with phase transition points of the heat capacity. (orig.)

eQuilibrator--the biochemical thermodynamics calculator.

Science.gov (United States)

Flamholz, Avi; Noor, Elad; Bar-Even, Arren; Milo, Ron

2012-01-01

The laws of thermodynamics constrain the action of biochemical systems. However, thermodynamic data on biochemical compounds can be difficult to find and is cumbersome to perform calculations with manually. Even simple thermodynamic questions like 'how much Gibbs energy is released by ATP hydrolysis at pH 5?' are complicated excessively by the search for accurate data. To address this problem, eQuilibrator couples a comprehensive and accurate database of thermodynamic properties of biochemical compounds and reactions with a simple and powerful online search and calculation interface. The web interface to eQuilibrator (http://equilibrator.weizmann.ac.il) enables easy calculation of Gibbs energies of compounds and reactions given arbitrary pH, ionic strength and metabolite concentrations. The eQuilibrator code is open-source and all thermodynamic source data are freely downloadable in standard formats. Here we describe the database characteristics and implementation and demonstrate its use.

Horizon thermodynamics in fourth-order gravity

Directory of Open Access Journals (Sweden)

Meng-Sen Ma

2017-03-01

Full Text Available In the framework of horizon thermodynamics, the field equations of Einstein gravity and some other second-order gravities can be rewritten as the thermodynamic identity: dE=TdS−PdV. However, in order to construct the horizon thermodynamics in higher-order gravity, we have to simplify the field equations firstly. In this paper, we study the fourth-order gravity and convert it to second-order gravity via a so-called “Legendre transformation” at the cost of introducing two other fields besides the metric field. With this simplified theory, we implement the conventional procedure in the construction of the horizon thermodynamics in 3 and 4 dimensional spacetime. We find that the field equations in the fourth-order gravity can also be written as the thermodynamic identity. Moreover, we can use this approach to derive the same black hole mass as that by other methods.

eQuilibrator—the biochemical thermodynamics calculator

Science.gov (United States)

Flamholz, Avi; Noor, Elad; Bar-Even, Arren; Milo, Ron

2012-01-01

The laws of thermodynamics constrain the action of biochemical systems. However, thermodynamic data on biochemical compounds can be difficult to find and is cumbersome to perform calculations with manually. Even simple thermodynamic questions like ‘how much Gibbs energy is released by ATP hydrolysis at pH 5?’ are complicated excessively by the search for accurate data. To address this problem, eQuilibrator couples a comprehensive and accurate database of thermodynamic properties of biochemical compounds and reactions with a simple and powerful online search and calculation interface. The web interface to eQuilibrator (http://equilibrator.weizmann.ac.il) enables easy calculation of Gibbs energies of compounds and reactions given arbitrary pH, ionic strength and metabolite concentrations. The eQuilibrator code is open-source and all thermodynamic source data are freely downloadable in standard formats. Here we describe the database characteristics and implementation and demonstrate its use. PMID:22064852

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

Thermodynamic assessment of liquid composition change during solidification and its effect on freckle formation in superalloys

International Nuclear Information System (INIS)

Long Zhengdong; Liu Xingbo; Yang Wanhong; Chang, K.-M.; Barbero, Ever

2004-01-01

The solidification macrosegregation, i.e. freckle, becomes more and more concerned with ever increasing demand for the large ingot size of superalloys. The evaluation of freckle formation is very difficult because of the less understanding of freckle formation mechanism and complex solidification behaviors of multi-component superalloys. The macrostructure of typical Nb-bearing and Ti-bearing superalloys in horizontally directional solidification and vacuum arc remelting (VAR) ingots were investigated to clarify the freckle formation mechanism. The thermodynamic approach was proposed to simulate the solidification behaviors. The relative Ra numbers, a reliable criterion, of freckle formation for some alloys were obtained based on the results of thermodynamic calculations. This thermodynamic approach was evaluated through comparison of the calculations from semi-experimental results. The Ra numbers obtained by thermodynamic approach are in good agreement with the ingot size capability of the industry melting shops, which is limited mainly by freckle defects

Applied thermodynamics: A new frontier for biotechnology

DEFF Research Database (Denmark)

Mollerup, Jørgen

2006-01-01

The scientific career of one of the most outstanding scientists in molecular thermodynamics, Professor John M. Prausnitz at Berkeley, reflects the change in the agenda of molecular thermodynamics, from hydrocarbon chemistry to biotechnology. To make thermodynamics a frontier for biotechnology...

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.

Specific features of the thermodynamics of superionic conductors

International Nuclear Information System (INIS)

Gurevich, Yu.Ya.; Kharkats, Yu.I.

1982-01-01

A review of theoretical and experimental investigations devoted to a study of thermodynamic aspects of the superionic conductivity phenomena for the recent decade is presented. A relation between a superionic conductivity and the disordering of one of the crystal sublattices, the phase transitions of the disordering caused by the point defects interaction, the mechanism of polymorphic transitions conjugated with a partial disordering are considered. The effect of an abrupt change of the ionic conductivity induced by electric field, the thermodynamics of the domain states in superionic conductors and the influence of pressure on phase transitions and ionic conductivity are analyzed

The critical catastrophe revisited

International Nuclear Information System (INIS)

De Mulatier, Clélia; Rosso, Alberto; Dumonteil, Eric; Zoia, Andrea

2015-01-01

The neutron population in a prototype model of nuclear reactor can be described in terms of a collection of particles confined in a box and undergoing three key random mechanisms: diffusion, reproduction due to fissions, and death due to absorption events. When the reactor is operated at the critical point, and fissions are exactly compensated by absorptions, the whole neutron population might in principle go to extinction because of the wild fluctuations induced by births and deaths. This phenomenon, which has been named critical catastrophe, is nonetheless never observed in practice: feedback mechanisms acting on the total population, such as human intervention, have a stabilizing effect. In this work, we revisit the critical catastrophe by investigating the spatial behaviour of the fluctuations in a confined geometry. When the system is free to evolve, the neutrons may display a wild patchiness (clustering). On the contrary, imposing a population control on the total population acts also against the local fluctuations, and may thus inhibit the spatial clustering. The effectiveness of population control in quenching spatial fluctuations will be shown to depend on the competition between the mixing time of the neutrons (i.e. the average time taken for a particle to explore the finite viable space) and the extinction time

Thermodynamics of material properties degradation in fast reactor steam generator under effect of liquid sodium

International Nuclear Information System (INIS)

Walder, V.

1984-01-01

The possibility is discussed of a quantitative approach to the evaluation of changes in Nb-stabilized low alloy steel due to the effect of liquid sodium. The numerical finite difference method was applied to diffusion processes using the variability of all thermodynamic values entering the calculation. At thermodynamic balance with existing carbides, it will be possible to take into account the temperature gradient, the effect of the size of carbides and the effect of applied strain. The fact that the diffusion coefficient of carbide-forming niobium is by seven orders lower than that of carbon led to the use of the model of quasi-steady state diffusion. The dissolution of carbides and the diffusion of both elements is studied and the activities are investigated of carbon and niobium. The dissolution of NbC is controlled by the diffusion of niobium; the diffusion of niobium and carbon is induced by the balancing of their activities at the steel/sodium boundary. The local activity of carbon is at any moment determined via the steady state constant from the activity of niobium considering the type of carbide. The Nb-stabilized steel is characterized by a great difference in carbide sizes. Small carbides are accompanied by high carbon and niobium activities. Spontaneous diffusion occurs from the near vicinity of the carbides and the carbides dissolve. Stress increases activity thereby accelerating the process of decarburization of the steel in sodium. (Pu)

Chemical Thermodynamics and Information Theory with Applications

CERN Document Server

Graham, Daniel J

2011-01-01

Thermodynamics and information touch theory every facet of chemistry. However, the physical chemistry curriculum digested by students worldwide is still heavily skewed toward heat/work principles established more than a century ago. Rectifying this situation, Chemical Thermodynamics and Information Theory with Applications explores applications drawn from the intersection of thermodynamics and information theory--two mature and far-reaching fields. In an approach that intertwines information science and chemistry, this book covers: The informational aspects of thermodynamic state equations The

Thermodynamic and Spectrophotometric Studies of Electron Donor ...

African Journals Online (AJOL)

Some features of the formed complex, such as molar ratio of the reaction and effect of time ... Thermodynamic parameters were determined as well, the method was ... enthalpy change (ÄH) was steady at -0.254 kcal.mol-1 while the free energy ...

Thermodynamic theory of transport in magnetized plasmas

International Nuclear Information System (INIS)

Misguich, J.H.

1990-10-01

Transport laws relating thermodynamic flows to forces by means of transport coefficients in a magnetized plasma are derived here from basic plasmadynamics and nonequilibrium thermodynamics. Macroscopic balance equations are derived in the first part, taking into account the energy of relative diffusion between species in an exact way. The resulting plasmadynamical equations appear to be more general than the usual ones. In the second part, the particular features of a two-temperature diffusing plasma are taken into account in deriving the balance equation for the entropy density, the differences with thermodynamics of neutral fluid mixtures or metals are explained. The general expressions obtained for the entropy production rate are used in part III to derive transport laws. Onsager symmetry relations are applied to interrelate crossed transport coefficients. Basic transport coefficients are the electrical conductivity, the thermo-electric coefficient, along with the thermal conductivities and the viscosities for each species. The slight difference between thermo-electric effect and thermo-diffusion is explained. An important resistive thermo-electric effect appears which describes crossed transport coefficients between thermal and electric flows. Because of the anisotropy introduced by the magnetic field, the transport coefficients are tensors, with non diagonal elements associated with the Hall, Nernst and Ettinghausen effects in the plasma. The field geometry and applications to several particular cases are treated explicitly in part IV, namely the neo-classical transport laws. The Ettinghausen effect appears to play an important role in the transport laws for radial electron heat flow and particle flow in confined plasmas. Practical prescriptions are given to apply the Onsager symmetry relations in a correct way

Thermal study on the impurity effect on thermodynamic stability of the glacial phase in triphenyl phosphite-triphenyl phosphate system

International Nuclear Information System (INIS)

Tanabe, Ikue; Takeda, Kiyoshi; Murata, Katsuo

2005-01-01

To investigate the impurity effect on thermodynamic stability of the glacial phase, an apparently amorphous metastable phase observed in triphenyl phosphite (TPP), the differential scanning calorimetry (DSC) was carried out in the temperature range 120-350 K for binary mixtures between TPP and triphenyl phosphate (TPPO). Heating up from the glassy liquid, supercooled liquid phase transformed into glacial phase below the crystallization temperature for all the samples with x < 0.2, where x denotes the mole fraction of TPPO. Both transformation temperatures from liquid to glacial and from glacial to crystal increased and temperature range that glacial phase appears narrowed with the content of TPPO. The peak intensity of exothermic effect due to the transformation from liquid to glacial becomes larger whereas that from glacial to crystal reduced. The kinetic and thermodynamic stabilities were discussed for liquid and glacial phases based on the DSC results

Thermal study on the impurity effect on thermodynamic stability of the glacial phase in triphenyl phosphite-triphenyl phosphate system

Energy Technology Data Exchange (ETDEWEB)

Tanabe, Ikue [Department of Chemistry, Naruto University of Education, Naruto, Tokushima 772-8502 (Japan); Takeda, Kiyoshi [Department of Chemistry, Naruto University of Education, Naruto, Tokushima 772-8502 (Japan)]. E-mail: takeda@naruto-u.ac.jp; Murata, Katsuo [Department of Chemistry, Naruto University of Education, Naruto, Tokushima 772-8502 (Japan)

2005-06-15

To investigate the impurity effect on thermodynamic stability of the glacial phase, an apparently amorphous metastable phase observed in triphenyl phosphite (TPP), the differential scanning calorimetry (DSC) was carried out in the temperature range 120-350 K for binary mixtures between TPP and triphenyl phosphate (TPPO). Heating up from the glassy liquid, supercooled liquid phase transformed into glacial phase below the crystallization temperature for all the samples with x < 0.2, where x denotes the mole fraction of TPPO. Both transformation temperatures from liquid to glacial and from glacial to crystal increased and temperature range that glacial phase appears narrowed with the content of TPPO. The peak intensity of exothermic effect due to the transformation from liquid to glacial becomes larger whereas that from glacial to crystal reduced. The kinetic and thermodynamic stabilities were discussed for liquid and glacial phases based on the DSC results.

Simulation of Cu-Mg metallic glass: Thermodynamics and structure

DEFF Research Database (Denmark)

Bailey, Nicholas; Schiøtz, Jakob; Jacobsen, Karsten Wedel

2004-01-01

We have obtained effective medium theory interatomic potential parameters suitable for studying Cu-Mg metallic glasses. We present thermodynamic and structural results from simulations of such glasses over a range of compositions. We have produced low-temperature configurations by cooling from...... the melt at as slow a rate as practical, using constant temperature and pressure molecular dynamics. During the cooling process we have carried out thermodynamic analyses based on the temperature dependence of the enthalpy and its derivative, the specific heat, from which the glass transition temperature...

Thermodynamics of nuclear materials

International Nuclear Information System (INIS)

1962-01-01

The first session of the symposium discussed in general the thermodynamic properties of actinides, including thorium, uranium and Plutonium which provide reactor fuel. The second session was devoted to applications of thermodynamic theory to the study of nuclear materials, while the experimental techniques for the determination of thermodynamic data were examined at the next session. The thermodynamic properties of alloys were considered at a separate session, and another session was concerned with solids other than alloys. Vaporization processes, which are of special interest in the development of high-temperature reactors, were discussed at a separate session. The discussions on the methods of developing the data and ascertaining their accuracy were especially useful in highlighting the importance of determining whether any given data are reliable before they can be put to practical application. Many alloys and refractory materials (i. e. materials which evaporate only at very high temperatures) are of great importance in nuclear technology, and some of these substances are extremely complex in their chemical composition. For example, until recently the phase composition of the oxides of thorium, uranium and plutonium had been only very imperfectly understood, and the same was true of the carbides of these elements. Recent developments in experimental techniques have made it possible to investigate the phase composition of these complex materials as well as the chemical species of these materials in the gaseous phase. Recent developments in measuring techniques, such as fluorine bomb calorimetry and Knudsen effusion technique, have greatly increased the accuracy of thermodynamic data

The hard-core model on random graphs revisited

International Nuclear Information System (INIS)

Barbier, Jean; Krzakala, Florent; Zhang, Pan; Zdeborová, Lenka

2013-01-01

We revisit the classical hard-core model, also known as independent set and dual to vertex cover problem, where one puts particles with a first-neighbor hard-core repulsion on the vertices of a random graph. Although the case of random graphs with small and very large average degrees respectively are quite well understood, they yield qualitatively different results and our aim here is to reconciliate these two cases. We revisit results that can be obtained using the (heuristic) cavity method and show that it provides a closed-form conjecture for the exact density of the densest packing on random regular graphs with degree K ≥ 20, and that for K > 16 the nature of the phase transition is the same as for large K. This also shows that the hard-code model is the simplest mean-field lattice model for structural glasses and jamming

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.

An introduction to thermodynamics and statistical mechanics

CERN Document Server

Saxena, A K

2016-01-01

An Introduction to Thermodynamics and Statistical Mechanics aims to serve as a text book for undergraduate hons.and postgraduate students of physics. The book covers First Law of Thermodynamics, Entropy and Second Law ofThermodynamics, Thermodynamic Relations, The Statistical Basis of Thermodynamics, Microcanonical Ensemble,Classical Statistical and Canonical Distribution, Grand Canonical Ensemble, Quantum Statistical Mechanics, PhaseTransitions, Fluctuations, Irreversible Processes and Transport Phenomena (Diffusion).SALIENT FEATURES:iC* Offers students a conceptual development of the subjectiC* Review questions at the end of chapters.NEW TO THE SECOND EDITIONiC* PVT SurfacesiC* Real Heat EnginesiC* Van der Waals Models (Qualitative Considerations)iC* Cluster ExpansioniC* Brownian Motion (Einstein's Theory)

Nonequilibrium thermodynamics of restricted Boltzmann machines

Science.gov (United States)

Salazar, Domingos S. P.

2017-08-01

In this work, we analyze the nonequilibrium thermodynamics of a class of neural networks known as restricted Boltzmann machines (RBMs) in the context of unsupervised learning. We show how the network is described as a discrete Markov process and how the detailed balance condition and the Maxwell-Boltzmann equilibrium distribution are sufficient conditions for a complete thermodynamics description, including nonequilibrium fluctuation theorems. Numerical simulations in a fully trained RBM are performed and the heat exchange fluctuation theorem is verified with excellent agreement to the theory. We observe how the contrastive divergence functional, mostly used in unsupervised learning of RBMs, is closely related to nonequilibrium thermodynamic quantities. We also use the framework to interpret the estimation of the partition function of RBMs with the annealed importance sampling method from a thermodynamics standpoint. Finally, we argue that unsupervised learning of RBMs is equivalent to a work protocol in a system driven by the laws of thermodynamics in the absence of labeled data.

Introduction to the thermodynamics of solids

International Nuclear Information System (INIS)

Ericksen, J.L.

1992-01-01

This book addresses issues of thermodynamics associated with solids from a unique point of view. Professor Ericksen provides a perspective of thermodynamics which is based in material science and solid mechanics, and attempts to apply basic thermodynamics to a wide range of phenomena. The book is not written as a text-book, as it does not contain example problems or exercises, is directed primarily at researchers in solids. The author states that much of the book is controversial, and that many of his treatments of thermodynamics are not traditional. The author's assessment is accurate on both counts. However, there are several reasons to believe that many of the issues raised in the book are not so much controversial, but rather simply not well described, either by the author or by thermodynamicists, in general. The primary references for much of the thermodynamics in the book are historic in nature, and certainly worthy of consideration, but only a few current references are provided

Nonequilibrium thermodynamics of restricted Boltzmann machines.

Science.gov (United States)

Salazar, Domingos S P

2017-08-01

In this work, we analyze the nonequilibrium thermodynamics of a class of neural networks known as restricted Boltzmann machines (RBMs) in the context of unsupervised learning. We show how the network is described as a discrete Markov process and how the detailed balance condition and the Maxwell-Boltzmann equilibrium distribution are sufficient conditions for a complete thermodynamics description, including nonequilibrium fluctuation theorems. Numerical simulations in a fully trained RBM are performed and the heat exchange fluctuation theorem is verified with excellent agreement to the theory. We observe how the contrastive divergence functional, mostly used in unsupervised learning of RBMs, is closely related to nonequilibrium thermodynamic quantities. We also use the framework to interpret the estimation of the partition function of RBMs with the annealed importance sampling method from a thermodynamics standpoint. Finally, we argue that unsupervised learning of RBMs is equivalent to a work protocol in a system driven by the laws of thermodynamics in the absence of labeled data.

Thermodynamic properties of titanates, zirconates and hafnates of alkaline earth metals

Energy Technology Data Exchange (ETDEWEB)

1978-02-01

The problems are considered arising in critical analysis and choosing recommended values of thermodynamic constants of the series of the most important perovskites-ferroelectrics-titanates, zirconates, and hafnates of alkaline-earth metals finding application in modern radioelectronics. Recommended values of standard thermodynamic values are given: heat capacity Csub(p,298) , enthalpy change H/sub 298/-H/sub 0/, entropy S/sub 298/, heat formation ..delta..Hsub(f,298 ), free energy formation ..delta..Gsub(f,298) , temperatures and heats of phase transitions with indication of errors for the adopted values. The effect of impurities on thermal constants of phase transitions is discussed. The relationships between thermodynamic characteristics of perovskites and crystal structure as well as the effect of orthorhombic distortions of ideal perovskite lattice on entropy of the compounds have been considered. Along with thermodynamic methods of investigation, a great attention is given to other physical methods which have been used for finding temperature regions of phase transitions, Curie points, and temperatures of transition from ferroelectric to paraelectric state. The importance of physical methods is emphasized in those cases when phase transitions are accompanied by small energy changes and are not fixed in measuring heat capacity.

Thermodynamics and phase transition of black hole in an asymptotically safe gravity

International Nuclear Information System (INIS)

Ma, Meng-Sen

2014-01-01

We study the effects of quantum gravitational correction on the thermodynamics of black holes in the asymptotic safety scenario. Owing to the quantum-corrected Schwarzschild metric, the thermodynamic quantities are also corrected and a Hawking–Page-type phase transition may exist. We also employ the concept of thermodynamic geometry to the black hole to characterize the phase transition. By introducing a cavity enclosing the black hole, we apply the spatially finite boundary conditions to further investigate the thermodynamic phase transition of the black hole. It is shown that the larger and small black holes are both locally stable according to heat capacity. According to free energy, we find that the quantum-corrected black hole has similar thermodynamic phase structure to that of RN–AdS black hole. In addition, we also discuss the possibility of the phase transition between the black hole and the hot curved space. Above a certain temperature T 0 , the black hole is more probable than the hot space

Development of a representational conceptual evaluation in the first law of thermodynamics

Science.gov (United States)

Sriyansyah, S. P.; Suhandi, A.

2016-08-01

As part of an ongoing research to investigate student consistency in understanding the first law of thermodynamics, a representational conceptual evaluation (RCET) has been developed to assess student conceptual understanding, representational consistency, and scientific consistency in the introductory physics course. Previous physics education research findings were used to develop the test. RCET items were 30 items which designed as an isomorphic multiple-choice test with three different representations concerning the concept of work, heat, first law of thermodynamics, and its application in the thermodynamic processes. Here, we present preliminary measures of the validity and reliability of the instrument, including the classical test statistics. This instrument can be used to measure the intended concept in the first law of thermodynamics and it will give the consistent results with the ability to differentiate well between high-achieving students and low-achieving students and also students at different level. As well as measuring the effectiveness of the learning process in the concept of the first law of thermodynamics.

Development of a representational conceptual evaluation in the first law of thermodynamics

International Nuclear Information System (INIS)

Sriyansyah, S P; Suhandi, A

2016-01-01

As part of an ongoing research to investigate student consistency in understanding the first law of thermodynamics, a representational conceptual evaluation (RCET) has been developed to assess student conceptual understanding, representational consistency, and scientific consistency in the introductory physics course. Previous physics education research findings were used to develop the test. RCET items were 30 items which designed as an isomorphic multiple-choice test with three different representations concerning the concept of work, heat, first law of thermodynamics, and its application in the thermodynamic processes. Here, we present preliminary measures of the validity and reliability of the instrument, including the classical test statistics. This instrument can be used to measure the intended concept in the first law of thermodynamics and it will give the consistent results with the ability to differentiate well between high-achieving students and low-achieving students and also students at different level. As well as measuring the effectiveness of the learning process in the concept of the first law of thermodynamics. (paper)

Generalized Laws of Black Hole Thermodynamics and Quantum Conservation Laws on Hawking Radiation Process

OpenAIRE

Wu, S. Q.; Cai, X.

2000-01-01

Four classical laws of black hole thermodynamics are extended from exterior (event) horizon to interior (Cauchy) horizon. Especially, the first law of classical thermodynamics for Kerr-Newman black hole (KNBH) is generalized to those in quantum form. Then five quantum conservation laws on the KNBH evaporation effect are derived in virtue of thermodynamical equilibrium conditions. As a by-product, Bekenstein-Hawking's relation $ S=A/4 $ is exactly recovered.

Generalized laws of black-hole thermodynamics and quantum conservation laws on Hawking radiation process

International Nuclear Information System (INIS)

Wu, S.Q.; Cai, X.

2000-01-01

Four classical laws of black-hole thermodynamics are extended from exterior (event) horizon to interior (Cauchy) horizon. Especially, the first law of classical thermodynamics for Kerr-Newman black hole (KNBH) is generalized to those in quantum form. Then five quantum conservation laws on the KNBH evaporation effect are derived in virtue of thermodynamical equilibrium conditions. As a by-product, Bekenstein-Haw king's relation S=A/4 is exactly recovered

Thermodynamic optimization of power plants

NARCIS (Netherlands)

Haseli, Y.

2011-01-01

Thermodynamic Optimization of Power Plants aims to establish and illustrate comparative multi-criteria optimization of various models and configurations of power plants. It intends to show what optimization objectives one may define on the basis of the thermodynamic laws, and how they can be applied

The statistical-inference approach to generalized thermodynamics

International Nuclear Information System (INIS)

Lavenda, B.H.; Scherer, C.

1987-01-01

Limit theorems, such as the central-limit theorem and the weak law of large numbers, are applicable to statistical thermodynamics for sufficiently large sample size of indipendent and identically distributed observations performed on extensive thermodynamic (chance) variables. The estimation of the intensive thermodynamic quantities is a problem in parametric statistical estimation. The normal approximation to the Gibbs' distribution is justified by the analysis of large deviations. Statistical thermodynamics is generalized to include the statistical estimation of variance as well as mean values

Thermodynamic analysis of biochemical systems

International Nuclear Information System (INIS)

Yuan, Y.; Fan, L.T.; Shieh, J.H.

1989-01-01

Introduction of the concepts of the availability (or exergy), datum level materials, and the dead state has been regarded as some of the most significant recent developments in classical thermodynamics. Not only the available energy balance but also the material and energy balances of a biological system may be established in reference to the datum level materials in the dead state or environment. In this paper these concepts are illustrated with two examples of fermentation and are shown to be useful in identifying sources of thermodynamic inefficiency, thereby leading naturally to the rational definition of thermodynamic efficiency of a biochemical process

Application of calorimetry and thermodynamics to critical problems in materials science

International Nuclear Information System (INIS)

Atake, Tooru

2009-01-01

Calorimetry and thermodynamic studies have long been playing a very important role in the research fields of fundamental science and technology. Some topics and examples of thermodynamics studies are given, and the details are explained on the basis of the present author's experience, focusing attention to application of adiabatic calorimetry and thermodynamics to solve critical problems in materials science: (1) condensed gas calorimetry and third law entropy, (2) phase transition and polymorphism in simple molecular crystals, (3) incommensurate phase transitions, (4) particle size effects on the phase transitions in ferroelectric/ferroelastic crystals, (5) relaxor ferroelectrics and multi-ferroics, and some other topics in materials science and technology

Modelling of phase diagrams and thermodynamic properties using Calphad method – Development of thermodynamic databases

Czech Academy of Sciences Publication Activity Database

Kroupa, Aleš

2013-01-01

Roč. 66, JAN (2013), s. 3-13 ISSN 0927-0256 R&D Projects: GA MŠk(CZ) OC08053 Institutional support: RVO:68081723 Keywords : Calphad method * phase diagram modelling * thermodynamic database development Subject RIV: BJ - Thermodynamics Impact factor: 1.879, year: 2013

Difference rule-a new thermodynamic principle: prediction of standard thermodynamic data for inorganic solvates.

Science.gov (United States)

Jenkins, H Donald Brooke; Glasser, Leslie

2004-12-08

We present a quite general thermodynamic "difference" rule, derived from thermochemical first principles, quantifying the difference between the standard thermodynamic properties, P, of a solid n-solvate (or n-hydrate), n-S, containing n molecules of solvate, S (water or other) and the corresponding solid parent (unsolvated) salt: [P[n-solvate] - P[parent

Making thermodynamic functions of nanosystems intensive

International Nuclear Information System (INIS)

Nassimi, A M; Parsafar, G A

2007-01-01

The potential energy of interaction among particles in many systems is proportional to r -α . In systems for which α< d, we encounter nonextensive (nonintensive) thermodynamic functions, where d is the space dimension. A scaling parameter, N-tilde, has been introduced to make the nonextensive (nonintensive) thermodynamic functions of such systems extensive (intensive). Our simulation results show that this parameter is not capable of making the thermodynamic functions of a nanosystem extensive (intensive). Here we have presented a theoretical justification for N-tilde. Then we have generalized this scaling parameter to be capable of making the nonextensive (nonintensive) thermodynamic functions of nanosystems extensive (intensive). This generalized parameter is proportional to the potential energy per particle at zero temperature

Structure and thermodynamics of molten salts

International Nuclear Information System (INIS)

Papatheodorou, G.N.

1983-01-01

This chapter investigates single-component molten salts and multicomponent salt mixtures. Molten salts provide an important testing ground for theories of liquids, solutions, and plasmas. Topics considered include molten salts as liquids (the pair potential, the radial distribution function, methods of characterization), single salts (structure, thermodynamic correlations), and salt mixtures (the thermodynamics of mixing; spectroscopy and structure). Neutron and X-ray scattering techniques are used to determine the structure of molten metal halide salts. The corresponding-states theory is used to obtain thermodynamic correlations on single salts. Structural information on salt mixtures is obtained by using vibrational (Raman) and electronic absorption spectroscopy. Charge-symmetrical systems and charge-unsymmetrical systems are used to examine the thermodynamics of salt mixtures

Black hole thermodynamics with conical defects

Energy Technology Data Exchange (ETDEWEB)

Appels, Michael [Centre for Particle Theory, Durham University,South Road, Durham, DH1 3LE (United Kingdom); Gregory, Ruth [Centre for Particle Theory, Durham University,South Road, Durham, DH1 3LE (United Kingdom); Perimeter Institute,31 Caroline Street North, Waterloo, ON, N2L 2Y5 (Canada); Kubiznák, David [Perimeter Institute,31 Caroline Street North, Waterloo, ON, N2L 2Y5 (Canada)

2017-05-22

Recently we have shown https://www.doi.org/10.1103/PhysRevLett.117.131303 how to formulate a thermodynamic first law for a single (charged) accelerated black hole in AdS space by fixing the conical deficit angles present in the spacetime. Here we show how to generalise this result, formulating thermodynamics for black holes with varying conical deficits. We derive a new potential for the varying tension defects: the thermodynamic length, both for accelerating and static black holes. We discuss possible physical processes in which the tension of a string ending on a black hole might vary, and also map out the thermodynamic phase space of accelerating black holes and explore their critical phenomena.

A brief review study of various thermodynamic cycles for high temperature power generation systems

International Nuclear Information System (INIS)

Yu, Si-Cong; Chen, Lin; Zhao, Yan; Li, Hong-Xu; Zhang, Xin-Rong

2015-01-01

Highlights: • Various high temperature power generation cycles for are reviewed and analyzed. • The operating temperature is higher than 700 K for high temperature power systems. • Thermodynamic cycle model study and working fluid choices are discussed. • Characteristics and future developments of high temperature cycles are presented and compared. - Abstract: This paper presents a review of the previous studies and papers about various thermodynamic cycles working for high temperature power generation procedures, in these cycles the highest temperature is not lower than 700 K. Thermodynamic cycles that working for power generation are divided into two broad categories, thermodynamic cycle model study and working fluid analysis. Thermodynamic cycle contains the simple cycle model and the complex cycle model, emphasis has been given on the complex thermodynamic cycles due to their high thermal efficiencies. Working fluids used for high temperature thermodynamic cycles is a dense gas rather than a liquid. A suitable thermodynamic cycle is crucial for effectively power generation especially under the condition of high temperature. The main purpose is to find out the characteristics of various thermodynamic cycles when they are working in the high temperature region for power generation. As this study shows, combined cycles with both renewable and nonrenewable energies as the heat source can show good performance

The thermodynamic basis of entransy and entransy dissipation

International Nuclear Information System (INIS)

Xu, Mingtian

2011-01-01

In the present work, the entransy and entransy dissipation are defined from the thermodynamic point of view. It is shown that the entransy is a state variable and can be employed to describe the second law of thermodynamics. For heat conduction, a principle of minimum entransy dissipation is established based on the second law of thermodynamics in terms of entransy dissipation, which leads to the governing equation of the steady Fourier heat conduction without heat source. Furthermore, we derive the expressions of the entransy dissipation in duct flows and heat exchangers from the second law of thermodynamics, which paves the way for applications of the entransy dissipation theory in heat exchanger design. -- Highlights: → The concepts of entransy and entransy dissipation are defined from the thermodynamic point of view. → We find that the entransy is a new thermodynamic property. → The second law of thermodynamics can be described by the entransy and entransy dissipation. → The expressions of entransy dissipation in duct flows and heat exchangers are derived from the second law of thermodynamics.

[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.

Theoretical and experimental study: the size dependence of decomposition thermodynamics of nanomaterials

International Nuclear Information System (INIS)

Cui, Zixiang; Duan, Huijuan; Li, Wenjiao; Xue, Yongqiang

2015-01-01

In the processes of preparation and application of nanomaterials, the decomposition reactions of nanomaterials are often involved. However, there is a dramatic difference in decomposition thermodynamics between nanomaterials and the bulk counterparts, and the difference depends on the size of the particles that compose the nanomaterials. In this paper, the decomposition model of a nanoparticle was built, the theory of decomposition thermodynamics of nanomaterials was proposed, and the relations of the size dependence of thermodynamic quantities for the decomposition reactions were deduced. In experiment, taking the thermal decomposition of nano-Cu 2 (OH) 2 CO 3 with different particle sizes (the range of radius is at 8.95–27.4 nm) as a system, the reaction thermodynamic quantities were determined, and the regularities of size dependence of the quantities were summarized. These experimental regularities consist with the above thermodynamic relations. The results show that there is a significant effect of the size of particles composing a nanomaterial on the decomposition thermodynamics. When all the decomposition products are gases, the differences in thermodynamic quantities of reaction between the nanomaterials and the bulk counterparts depend on the particle size; while when one of the decomposition products is a solid, the differences depend on both the initial particle size of the nanoparticle and the decomposition ratio. When the decomposition ratio is very small, these differences are only related to the initial particle size; and when the radius of the nanoparticles approaches or exceeds 10 nm, the reaction thermodynamic functions and the logarithm of the equilibrium constant are linearly associated with the reciprocal of radius, respectively. The thermodynamic theory can quantificationally describe the regularities of the size dependence of thermodynamic quantities for decomposition reactions of nanomaterials, and contribute to the researches and the

Thermodynamics of negative absolute pressures

International Nuclear Information System (INIS)

Lukacs, B.; Martinas, K.

1984-03-01

The authors show that the possibility of negative absolute pressure can be incorporated into the axiomatic thermodynamics, analogously to the negative absolute temperature. There are examples for such systems (GUT, QCD) processing negative absolute pressure in such domains where it can be expected from thermodynamical considerations. (author)

Thermodynamic efficiency of nonimaging concentrators

Science.gov (United States)

Shatz, Narkis; Bortz, John; Winston, Roland

2009-08-01

The purpose of a nonimaging concentrator is to transfer maximal flux from the phase space of a source to that of a target. A concentrator's performance can be expressed relative to a thermodynamic reference. We discuss consequences of Fermat's principle of geometrical optics. We review étendue dilution and optical loss mechanisms associated with nonimaging concentrators, especially for the photovoltaic (PV) role. We introduce the concept of optical thermodynamic efficiency which is a performance metric combining the first and second laws of thermodynamics. The optical thermodynamic efficiency is a comprehensive metric that takes into account all loss mechanisms associated with transferring flux from the source to the target phase space, which may include losses due to inadequate design, non-ideal materials, fabrication errors, and less than maximal concentration. As such, this metric is a gold standard for evaluating the performance of nonimaging concentrators. Examples are provided to illustrate the use of this new metric. In particular we discuss concentrating PV systems for solar power applications.

One Antimatter— Two Possible Thermodynamics

Directory of Open Access Journals (Sweden)

Alexander Y. Klimenko

2014-02-01

Full Text Available Conventional thermodynamics, which is formulated for our world populated by radiation and matter, can be extended to describe physical properties of antimatter in two mutually exclusive ways: CP-invariant or CPT-invariant. Here we refer to invariance of physical laws under charge (C, parity (P and time reversal (T transformations. While in quantum field theory CPT invariance is a theorem confirmed by experiments, the symmetry principles applied to macroscopic phenomena or to the whole of the Universe represent only hypotheses. Since both versions of thermodynamics are different only in their treatment of antimatter, but are the same in describing our world dominated by matter, making a clear experimentally justified choice between CP invariance and CPT invariance in context of thermodynamics is not possible at present. This work investigates the comparative properties of the CP- and CPT-invariant extensions of thermodynamics (focusing on the latter, which is less conventional than the former and examines conditions under which these extensions can be experimentally tested.

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

Thermodynamic study of the effects of ethanol on the interaction of ochratoxin A with human serum albumin

Energy Technology Data Exchange (ETDEWEB)

Li, Yin [Department of General and Physical Chemistry, University of Pécs, Ifjúság 6, H-7624 Pécs (Hungary); János Szentágothai Research Center, Ifjúság 20, H-7624 Pécs (Hungary); Czibulya, Zsuzsanna [Department of General and Physical Chemistry, University of Pécs, Ifjúság 6, H-7624 Pécs (Hungary); János Szentágothai Research Center, Ifjúság 20, H-7624 Pécs (Hungary); Chimie et Biologie des Membranes et Nanoobjets, CNRS-Université de Bordeaux, UMR 52478, ENITAB, Pessac (France); Poór, Miklós [Institute of Laboratory Medicine, University of Pécs, Ifjúság 13, H-7624, Pécs (Hungary); Lecomte, Sophie [Chimie et Biologie des Membranes et Nanoobjets, CNRS-Université de Bordeaux, UMR 52478, ENITAB, Pessac (France); Kiss, László [Department of General and Physical Chemistry, University of Pécs, Ifjúság 6, H-7624 Pécs (Hungary); János Szentágothai Research Center, Ifjúság 20, H-7624 Pécs (Hungary); and others

2014-04-15

Ethanol effect on the interaction of ochratoxin A (OTA) with human serum albumin (HSA) was investigated by using fluorescence spectroscopy and Raman spectroscopy. The Raman results showed that after the binding of OTA, the microenvironment of tryptophan residue on HSA became less hydrophobic. The fluorescence quenching observations revealed that the binding constant for the binding of OTA to HSA decreased as ethanol concentration increased. The thermodynamic studies showed that the binding process of OTA to HSA switched from being entropy-driven to enthalpy-driven in the presence of increasing concentrations (0.7–24.7%, vol/vol) of ethanol. Enthalpy–entropy compensation effect for the binding of OTA to HSA in the presence of different ethanol concentrations had been found. Based on the thermodynamic analyses, we concluded that the ethanol-induced variation of the shape of binding site of OTA on HSA and the solvent reorganization surrounding the OTA–HSA complex are the two dominant effects. -- Highlights: • The presence of ethanol can prohibit the binding of OTA to HSA. • Microenvironment of Trp214 on HSA becomes less hydrophobic after the binding of OTA. • Ethanol induces the interaction from being entropy-driven to enthalpy-driven. • Enthalpy–entropy compensation for the interaction was found.

Thermodynamic and kinetic analysis of heterogeneous photocatalysis for semiconductor systems.

Science.gov (United States)

Liu, Baoshun; Zhao, Xiujian; Terashima, Chiaki; Fujishima, Akira; Nakata, Kazuya

2014-05-21

Since the report of the Honda-Fujishima effect, heterogeneous photocatalysis has attracted much attention around the world because of its potential energy and environmental applications. Although great progresses have been made in recent years, most were focused on preparing highly-active photocatalysts and investigating visible light utilization. In fact, we are still unclear on the thermodynamic and kinetic nature of photocatalysis to date, which sometimes leads to misunderstandings for experimental results. It is timely to give a review and discussion on the thermodynamics and kinetics of photocatalysis, so as to direct future researches. However, there is an absence of a detailed review on this topic until now. In this article, we tried to review and discuss the thermodynamics and kinetics of photocatalysis. We explained the thermodynamic driving force of photocatalysis, and distinguished the functions of light and heat in photocatalysis. The Langmuir-Hinshelwood kinetic model, the ˙OH oxidation mechanism, and the direct-indirect (D-I) kinetic model were reviewed and compared. Some applications of the D-I model to study photocatalytic kinetics were also discussed. The electron transport mode and its importance in photocatalysis were investigated. Finally, the intrinsic relation between the kinetics and the thermodynamics of photocatalytic reactions was discussed.

JAEA thermodynamic database for performance assessment of geological disposal of high-level and TRU wastes. Selection of thermodynamic data of molybdenum

International Nuclear Information System (INIS)

Kitamura, Akira; Kirishima, Akira; Saito, Takumi; Shibutani, Sanae; Tochiyama, Osamu

2010-06-01

Within the scope of the JAEA thermodynamic database project for performance assessment of geological disposal of high-level radioactive and TRU wastes, the selection of the thermodynamic data on the inorganic compounds and complexes of molybdenum were carried out. We focused to select thermodynamic data of aqueous species and compounds which could form under repository conditions for the disposal of radioactive wastes, i.e. relatively low concentration of molybdenum and from near neutral through alkaline conditions. Selection of thermodynamic data was based on the guidelines by the Nuclear Energy Agency in the Organisation for Economic Co-operation and Development (OECD/NEA). Extensive literature survey was performed and all the obtained articles were carefully reviewed to select the thermodynamic data for molybdenum. Thermodynamic data at 25degC and zero ionic strength were determined from accepted thermodynamic data which were considered to be reliable. We especially paid attention to select formation constant of molybdate ion (MoO 4 2- ) with hydrogen ion (H + ) in detail. This is the first report in showing selection of thermodynamic data for molybdenum with detailed reviewing process. (author)

Thermodynamic analysis of fatty acid esterification for fatty acid alkyl esters production

International Nuclear Information System (INIS)

Voll, Fernando A.P.; Silva, Camila da; Rossi, Carla C.R.S.; Guirardello, Reginaldo; Castilhos, Fernanda de; Oliveira, J. Vladimir; Cardozo-Filho, Lucio

2011-01-01

The development of renewable energy source alternatives has become a planet need because of the unavoidable fossil fuel scarcity and for that reason biodiesel production has attracted growing interest over the last decade. The reaction yield for obtaining fatty acid alkyl esters varies significantly according to the operating conditions such as temperature and the feed reactants ratio and thus investigation of the thermodynamics involved in such reactional systems may afford important knowledge on the effects of process variables on biodiesel production. The present work reports a thermodynamic analysis of fatty acid esterification reaction at low pressure. For this purpose, Gibbs free energy minimization was employed with UNIFAC and modified Wilson thermodynamic models through a nonlinear programming model implementation. The methodology employed is shown to reproduce the most relevant investigations involving experimental studies and thermodynamic analysis.

Thermodynamics of complex formation of natural iron(III)porphyrins with neutral ligands

International Nuclear Information System (INIS)

Lebedeva, Nataliya Sh.; Yakubov, Sergey P.; Vyugin, Anatoly I.; Parfenyuk, Elena V.

2003-01-01

Calorimetric titrations in benzene and chloroform at 298.15 K have been performed to give the complexes stability constants and the thermodynamic parameters for the complex formation of nature iron(III)porphyrins with pyridine. Stoichimetry of the complexes formed has been determined. It has been found that the thermodynamic parameters obtained depend on nature of peripheral substituents of the porphyrins. The estimation of the influence of Cl - and Ac - ions on the processes studied has been carried out. Using thermodynamic analysis method, the crystallsolvates of nature iron(III)porphyrins with benzene have been studied. Stoichiometry, thermal and energetic stability of the π-π-complexes formed have been determined. The data obtained have been used to the estimate solvent effect on the thermodynamic parameters of axial coordination of pyridine on the iron(III)porphyrins in benzene

Relationship between the partial molar and molar quantity of a thermodynamic state function in a multicomponent mixture – revisited

International Nuclear Information System (INIS)

Näfe, H.

2013-01-01

As far as a multicomponent mixture is concerned, different versions exist in the literature for the relationship between the partial molar and molar quantity of a thermodynamic state function with the most prominent example of the two quantities being the activity coefficient of an arbitrary component and the excess Gibbs free energy of a mixture comprising this component. Since the relationships published so far have to a large degree been derived independently of each other and result from apparently conflicting approaches, they are still considered as separate subjects in the literature. It is demonstrated that despite this curious situation all relationships are equivalent to each other from a mathematical point of view

Effect of the hydrophilic block length on the surface-active and micellar thermodynamic properties of oxyethylene-oxybutylene diblock copolymers in aqueous solution

International Nuclear Information System (INIS)

Khan, A.; Usman, M.; Siddiq, M.; Fatima, G.; Harrison, W.

2009-01-01

The effect of hydrophilic block length on the surface and micellar thermodynamic properties of aqueous solution of E/sub 40/B/sub 8/, E/sub 80/B/sub 8/ and E/sub 120/B/sub 8/ diblock copolymers, were studied by surface tension measurements over a wide concentration and temperature range; where E stands for an oxyethylene unit and B for an oxybutylene unit. Like conventional surfactants, two breaks (change in the slope) were observed in the surface tension vs logarithm of concentration curve for all the three copolymers. Surface tension measurements were used to estimate surface excess concentrations (r m), area per molecule at air/water interface a and thermodynamic parameters for all adsorption of the pre-micellar region in the temperature range 20 to 50 degree C. Likewise the critical micelle concentration, CMC and thermodynamic parameters for micellization were also calculated for the post-micellar solutions at all temperatures. For comparison the thermodynamic parameters of adsorption and micellization are discussed in detail. The impact of varying E-block length and temperature on all calculated parameters are also discussed. This study shows the importance of hydrophobic-hydrophilic-balance (HHB) of copolymers on various surface and micellar properties. (author)

THERMODYNAMIC STUDIES ON THE CHARGE-TRANSFER ...

African Journals Online (AJOL)

... technique was employed to investigate thermodynamic parameters associated with the interaction ... KEY WORDS: Amitriptyline , chloranilic acid, thermodynamic parameters. Global Jnl Pure & Applied Sciences Vol.10(1) 2004: 147-153 ...

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.

Chemical thermodynamics. An introduction

Energy Technology Data Exchange (ETDEWEB)

Keszei, Ernoe [Budapest Univ. (Hungary). Dept. of Physical Chemistry

2012-07-01

Eminently suitable as a required textbook comprising complete material for or an undergraduate chemistry major course in chemical thermodynamics. Clearly explains details of formal derivations that students can easily follow and so master applied mathematical operations. Offers problems and solutions at the end of each chapter for self-test and self- or group study. This course-derived undergraduate textbook provides a concise explanation of the key concepts and calculations of chemical thermodynamics. Instead of the usual 'classical' introduction, this text adopts a straightforward postulatory approach that introduces thermodynamic potentials such as entropy and energy more directly and transparently. Structured around several features to assist students' understanding, Chemical Thermodynamics: - Develops applications and methods for the ready treatment of equilibria on a sound quantitative basis. - Requires minimal background in calculus to understand the text and presents formal derivations to the student in a detailed but understandable way. - Offers end-of-chapter problems (and answers) for self-testing and review and reinforcement, of use for self- or group study. This book is suitable as essential reading for courses in a bachelor and master chemistry program and is also valuable as a reference or textbook for students of physics, biochemistry and materials science.

JAEA thermodynamic database for performance assessment of geological disposal of high-level and TRU wastes. Selection of thermodynamic data of selenium

International Nuclear Information System (INIS)

Doi, Reisuke; Kitamura, Akira; Yui, Mikazu

2010-02-01

Within the scope of the JAEA thermodynamic database project for performance assessment of geological disposal of high-level and TRU radioactive wastes, the selection of the thermodynamic data on the inorganic compounds and complexes of selenium was carried out. Selection of thermodynamic data of selenium was based on a thermodynamic database of selenium published by the Nuclear Energy Agency in the Organisation for Economic Co-operation and Development (OECD/NEA). The remarks of a thermodynamic database by OECD/NEA found by the authors were noted in this report and then thermodynamic data was reviewed after surveying latest literatures. Some thermodynamic values of iron selenides were not selected by the OECD/NEA due to low reliability. But they were important for the performance assessment of geological disposal of radioactive wastes, so we selected them as a tentative value with specifying reliability and needs of the value to be determined. (author)

The effect of substrate on thermodynamic and kinetic anisotropies in atomic thin films

International Nuclear Information System (INIS)

Haji-Akbari, Amir; Debenedetti, Pablo G.

2014-01-01

Glasses have a wide range of technological applications. The recent discovery of ultrastable glasses that are obtained by depositing the vapor of a glass-forming liquid onto the surface of a cold substrate has sparked renewed interest in the effects of confinements on physicochemical properties of liquids and glasses. Here, we use molecular dynamics simulations to study the effect of substrate on thin films of a model glass-forming liquid, the Kob-Andersen binary Lennard-Jones system, and compute profiles of several thermodynamic and kinetic properties across the film. We observe that the substrate can induce large oscillations in profiles of thermodynamic properties such as density, composition, and stress, and we establish a correlation between the oscillations in total density and the oscillations in normal stress. We also demonstrate that the kinetic properties of an atomic film can be readily tuned by changing the strength of interactions between the substrate and the liquid. Most notably, we show that a weakly attractive substrate can induce the emergence of a highly mobile region in its vicinity. In this highly mobile region, structural relaxation is several times faster than in the bulk, and the exploration of the potential energy landscape is also more efficient. In the subsurface region near a strongly attractive substrate, however, the dynamics is decelerated and the sampling of the potential energy landscape becomes less efficient than the bulk. We explain these two distinct behaviors by establishing a correlation between the oscillations in kinetic properties and the oscillations in lateral stress. Our findings offer interesting opportunities for designing better substrates for the vapor deposition process or developing alternative procedures for situations where vapor deposition is not feasible

The effect of substrate on thermodynamic and kinetic anisotropies in atomic thin films.

Science.gov (United States)

Haji-Akbari, Amir; Debenedetti, Pablo G

2014-07-14

Glasses have a wide range of technological applications. The recent discovery of ultrastable glasses that are obtained by depositing the vapor of a glass-forming liquid onto the surface of a cold substrate has sparked renewed interest in the effects of confinements on physicochemical properties of liquids and glasses. Here, we use molecular dynamics simulations to study the effect of substrate on thin films of a model glass-forming liquid, the Kob-Andersen binary Lennard-Jones system, and compute profiles of several thermodynamic and kinetic properties across the film. We observe that the substrate can induce large oscillations in profiles of thermodynamic properties such as density, composition, and stress, and we establish a correlation between the oscillations in total density and the oscillations in normal stress. We also demonstrate that the kinetic properties of an atomic film can be readily tuned by changing the strength of interactions between the substrate and the liquid. Most notably, we show that a weakly attractive substrate can induce the emergence of a highly mobile region in its vicinity. In this highly mobile region, structural relaxation is several times faster than in the bulk, and the exploration of the potential energy landscape is also more efficient. In the subsurface region near a strongly attractive substrate, however, the dynamics is decelerated and the sampling of the potential energy landscape becomes less efficient than the bulk. We explain these two distinct behaviors by establishing a correlation between the oscillations in kinetic properties and the oscillations in lateral stress. Our findings offer interesting opportunities for designing better substrates for the vapor deposition process or developing alternative procedures for situations where vapor deposition is not feasible.

The effect of substrate on thermodynamic and kinetic anisotropies in atomic thin films

Energy Technology Data Exchange (ETDEWEB)

Haji-Akbari, Amir; Debenedetti, Pablo G., E-mail: pdebene@exchange.princeton.edu [Department of Chemical and Biological Engineering, Princeton University, Princeton, New Jersey 08544 (United States)

2014-07-14

Glasses have a wide range of technological applications. The recent discovery of ultrastable glasses that are obtained by depositing the vapor of a glass-forming liquid onto the surface of a cold substrate has sparked renewed interest in the effects of confinements on physicochemical properties of liquids and glasses. Here, we use molecular dynamics simulations to study the effect of substrate on thin films of a model glass-forming liquid, the Kob-Andersen binary Lennard-Jones system, and compute profiles of several thermodynamic and kinetic properties across the film. We observe that the substrate can induce large oscillations in profiles of thermodynamic properties such as density, composition, and stress, and we establish a correlation between the oscillations in total density and the oscillations in normal stress. We also demonstrate that the kinetic properties of an atomic film can be readily tuned by changing the strength of interactions between the substrate and the liquid. Most notably, we show that a weakly attractive substrate can induce the emergence of a highly mobile region in its vicinity. In this highly mobile region, structural relaxation is several times faster than in the bulk, and the exploration of the potential energy landscape is also more efficient. In the subsurface region near a strongly attractive substrate, however, the dynamics is decelerated and the sampling of the potential energy landscape becomes less efficient than the bulk. We explain these two distinct behaviors by establishing a correlation between the oscillations in kinetic properties and the oscillations in lateral stress. Our findings offer interesting opportunities for designing better substrates for the vapor deposition process or developing alternative procedures for situations where vapor deposition is not feasible.

Coccolithophorids in polar waters: Wigwamma spp. revisited

DEFF Research Database (Denmark)

Thomsen, Helge Abildhauge; Østergaard, Jette B.; Heldal, Mikal

2013-01-01

A contingent of weakly calcified coccolithophorid genera and species were described from polar regions almost 40 years ago. In the interim period a few additional findings have been reported enlarging the realm of some of the species. The genus Wigwamma is revisited here with the purpose of provi...... appearance of the coccolith armour of the cell...

Thermodynamics of Enzyme-Catalyzed Reactions Database

Science.gov (United States)

SRD 74 Thermodynamics of Enzyme-Catalyzed Reactions Database (Web, free access)   The Thermodynamics of Enzyme-Catalyzed Reactions Database contains thermodynamic data on enzyme-catalyzed reactions that have been recently published in the Journal of Physical and Chemical Reference Data (JPCRD). For each reaction the following information is provided: the reference for the data, the reaction studied, the name of the enzyme used and its Enzyme Commission number, the method of measurement, the data and an evaluation thereof.

Thermal physics kinetic theory and thermodynamics

CERN Document Server

Singh, Devraj; Yadav, Raja Ram

2016-01-01

THERMAL PHYSICS: Kinetic Theory and Thermodynamics is designed for undergraduate course in Thermal Physics and Thermodynamics. The book provides thorough understanding of the fundamental principles of the concepts in Thermal Physics. The book begins with kinetic theory, then moves on liquefaction, transport phenomena, the zeroth, first, second and third laws, thermodynamics relations and thermal conduction. The book concluded with radiation phenomenon. KEY FEATURES: * Include exercises * Short Answer Type Questions * Long Answer Type Questions * Numerical Problems * Multiple Choice Questions

On thermodynamic limits of entropy densities

NARCIS (Netherlands)

Moriya, H; Van Enter, A

We give some sufficient conditions which guarantee that the entropy density in the thermodynamic limit is equal to the thermodynamic limit of the entropy densities of finite-volume (local) Gibbs states.

Limits of predictions in thermodynamic systems: a review

Science.gov (United States)

Marsland, Robert, III; England, Jeremy

2018-01-01

The past twenty years have seen a resurgence of interest in nonequilibrium thermodynamics, thanks to advances in the theory of stochastic processes and in their thermodynamic interpretation. Fluctuation theorems provide fundamental constraints on the dynamics of systems arbitrarily far from thermal equilibrium. Thermodynamic uncertainty relations bound the dissipative cost of precision in a wide variety of processes. Concepts of excess work and excess heat provide the basis for a complete thermodynamics of nonequilibrium steady states, including generalized Clausius relations and thermodynamic potentials. But these general results carry their own limitations: fluctuation theorems involve exponential averages that can depend sensitively on unobservably rare trajectories; steady-state thermodynamics makes use of a dual dynamics that lacks any direct physical interpretation. This review aims to present these central results of contemporary nonequilibrium thermodynamics in such a way that the power of each claim for making physical predictions can be clearly assessed, using examples from current topics in soft matter and biophysics.

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.

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

Magnetic moments revisited

International Nuclear Information System (INIS)

Towner, I.S.; Khanna, F.C.

1984-01-01

Consideration of core polarization, isobar currents and meson-exchange processes gives a satisfactory understanding of the ground-state magnetic moments in closed-shell-plus (or minus)-one nuclei, A = 3, 15, 17, 39 and 41. Ever since the earliest days of the nuclear shell model the understanding of magnetic moments of nuclear states of supposedly simple configurations, such as doubly closed LS shells +-1 nucleon, has been a challenge for theorists. The experimental moments, which in most cases are known with extraordinary precision, show a small yet significant departure from the single-particle Schmidt values. The departure, however, is difficult to evaluate precisely since, as will be seen, it results from a sensitive cancellation between several competing corrections each of which can be as large as the observed discrepancy. This, then, is the continuing fascination of magnetic moments. In this contribution, we revisit the subjet principally to identify the role played by isobar currents, which are of much concern at this conference. But in so doing we warn quite strongly of the dangers of considering just isobar currents in isolation; equal consideration must be given to competing processes which in this context are the mundane nuclear structure effects, such as core polarization, and the more popular meson-exchange currents

Fundamental functions in equilibrium thermodynamics

NARCIS (Netherlands)

Horst, H.J. ter

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

Ab initio-based bulk and surface thermodynamics of InGaN alloys. Investigating the effects of strain and surface polarity

Energy Technology Data Exchange (ETDEWEB)

Duff, Andrew I.; Lymperakis, Liverios; Neugebauer, Joerg [Max-Planck-Institut fuer Eisenforschung, Duesseldorf (Germany)

2015-05-15

The growth of high In content InGaN with sufficiently high crystal quality is challenging due to the differences in the GaN and InN thermodynamics. The surprisingly different thermodynamics is due to a complex competition between strain and chemistry and mediated by the different indium and gallium atomic radii as well as their different bonding enthalpies with nitrogen. In the present work, we investigate bulk and surface thermodynamics of molecular beam epitaxial (MBE) growth of In{sub x}Ga{sub 1-x}N for the technologically relevant (0001) and (000 anti 1) growth planes by means of density functional theory calculations. Our calculations confirm that coherent growth fully suppresses phase separation through spinodal decomposition. However, the biaxial strain is found to have a marginal effect on the critical temperatures for In{sub x}Ga{sub 1-x}N decomposition. Furthermore, the thermal stability of excess indium is found to be remarkably higher on N-polar surfaces than on the Ga-polar surfaces. (copyright 2015 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Elementary statistical thermodynamics a problems approach

CERN Document Server

Smith, Norman O

1982-01-01

This book is a sequel to my Chemical Thermodynamics: A Prob­ lems Approach published in 1967, which concerned classical thermodynamics almost exclusively. Most books on statistical thermodynamics now available are written either for the superior general chemistry student or for the specialist. The author has felt the need for a text which would bring the intermediate reader to the point where he could not only appreciate the roots of the subject but also have some facility in calculating thermodynamic quantities. Although statistical thermodynamics comprises an essential part of the college training of a chemist, its treatment in general physical chem­ istry texts is, of necessity, compressed to the point where the less competent student is unable to appreciate or comprehend its logic and beauty, and is reduced to memorizing a series of formulas. It has been my aim to fill this need by writing a logical account of the foundations and applications of the sub­ ject at a level which can be grasped by an under...

Thermodynamics of Inozemtsev's elliptic spin chain

International Nuclear Information System (INIS)

Klabbers, Rob

2016-01-01

We study the thermodynamic behaviour of Inozemtsev's long-range elliptic spin chain using the Bethe ansatz equations describing the spectrum of the model in the infinite-length limit. We classify all solutions of these equations in that limit and argue which of these solutions determine the spectrum in the thermodynamic limit. Interestingly, some of the solutions are not selfconjugate, which puts the model in sharp contrast to one of the model's limiting cases, the Heisenberg XXX spin chain. Invoking the string hypothesis we derive the thermodynamic Bethe ansatz equations (TBA-equations) from which we determine the Helmholtz free energy in thermodynamic equilibrium and derive the associated Y-system. We corroborate our results by comparing numerical solutions of the TBA-equations to a direct computation of the free energy for the finite-length hamiltonian. In addition we confirm numerically the interesting conjecture put forward by Finkel and González-López that the original and supersymmetric versions of Inozemtsev's elliptic spin chain are equivalent in the thermodynamic limit.

Optima and bounds for irreversible thermodynamic processes

International Nuclear Information System (INIS)

Hoffmann, K.H.

1990-01-01

In this paper bounds and optima for irreversible thermodynamic processes and their application in different fields are discussed. The tools of finite time thermodynamics are presented and especially optimal control theory is introduced. These methods are applied to heat engines, including models of the Diesel engine and a light-driven engine. Further bounds for irreversible processes are introduced, discussing work deficiency and its relation to thermodynamic length. Moreover the problem of dissipation in systems composed of several subsystems is studied. Finally, the methods of finite time thermodynamics are applied to thermodynamic processes described on a more microscopic level. The process used as an example is simulated annealing. It is shown how optimal control theory is applied to find the optimal cooling schedule for this important stochastic optimization method

Magnetic properties and thermodynamics in a metallic nanotube

International Nuclear Information System (INIS)

Jiang, Wei; Li, Xiao-Xi; Guo, An-Bang; Guan, Hong-Yu; Wang, Zan; Wang, Kai

2014-01-01

A metallic nanotube composed of the ferromagnetic spin-3/2 inner shell and spin-1 outer shell with a ferrimagnetic interlayer coupling has been studied by using the effective-field theory with correlations (EFT). With both existence of the magnetic anisotropy and transverse field, we have studied effects of them on the magnetic properties and the thermodynamics. Some interesting phenomena have been found in the phase diagrams. At low temperature, the magnetization curves present different behaviors. Two compensation points have been found for the certain values of the system parameters in the system. The research results of metallic nanotubes may have potential applications in the fields of biomedicine and molecular devices. - Highlights: • A hexagonal metallic nanotube is composed of spin-3/2 inner layer and spin-1 outer layer. • Various types of magnetization curves depend on physical parameters and temperature. • We study the effects of physical parameters on the magnetic properties and thermodynamics

Parametric analysis of the thermodynamic properties for a medium with strong interaction between particles

International Nuclear Information System (INIS)

Dubovitskii, V.A.; Pavlov, G.A.; Krasnikov, Yu.G.

1996-01-01

Thermodynamic analysis of media with strong interparticle (Coulomb) interaction is presented. A method for constructing isotherms is proposed for a medium described by a closed multicomponent thermodynamic model. The method is based on choosing an appropriate nondegenerate frame of reference in the extended space of thermodynamic variables and provides efficient thermodynamic calculations in a wide range of parameters, for an investigation of phase transitions of the first kind, and for determining both the number of phases and coexistence curves. A number of approximate thermodynamic models of hydrogen plasma are discussed. The approximation corresponding to the n5/2 law, in which the effects of particle attraction and repulsion are taken into account qualitatively, is studied. This approximation allows studies of thermodynamic properties of a substance for a wide range of parameters. In this approximation, for hydrogen at a constant temperature, various properties of the degree of ionization are revealed. In addition, the parameters of the second critical point are found under conditions corresponding to the Jovian interior

Size effects on the Kauzmann temperature and related thermodynamic parameters of Ag nanoparticles

International Nuclear Information System (INIS)

Ao, Z M; Zheng, W T; Jiang, Q

2007-01-01

Based on the Sutton-Chen many-body potential function, several thermodynamic parameters of Ag are simulated by molecular dynamics. The parameters simulated are size dependences of the Kauzmann temperature T K and melting temperature T m , and size and temperature dependences of melting enthalpy H m and melting entropy S m . The simulation results and the results of the thermodynamic theory models of T K and T m show good agreement, indicating that as the size of the Ag particles decreases, the T K and T m functions decrease. However, the ratio of T K and T m of Ag nanoparticles is size-independent

Thermodynamical inequivalence of quantum stress-energy and spin tensors

International Nuclear Information System (INIS)

Becattini, F.; Tinti, L.

2011-01-01

It is shown that different couples of stress-energy and spin tensors of quantum-relativistic fields, which would be otherwise equivalent, are in fact inequivalent if the second law of thermodynamics is taken into account. The proof of the inequivalence is based on the analysis of a macroscopic system at full thermodynamical equilibrium with a macroscopic total angular momentum and a specific instance is given for the free Dirac field, for which we show that the canonical and Belinfante stress-energy tensors are not equivalent. For this particular case, we show that the difference between the predicted angular momentum densities for a rotating system at full thermodynamical equilibrium is a quantum effect, persisting in the nonrelativistic limit, corresponding to a polarization of particles of the order of (ℎ/2π)ω/KT (ω being the angular velocity) and could in principle be measured experimentally. This result implies that specific stress-energy and spin tensors are physically meaningful even in the absence of gravitational coupling and raises the issue of finding the thermodynamically right (or the right class of) tensors. We argue that the maximization of the thermodynamic potential theoretically allows us to discriminate between two different couples, yet for the present we are unable to provide a theoretical method to single out the best couple of tensors in a given quantum field theory. The existence of a nonvanishing spin tensor would have major consequences in hydrodynamics, gravity and cosmology.

Thermodynamic effects of proline introduction on protein stability.

Science.gov (United States)

Prajapati, Ravindra Singh; Das, Mili; Sreeramulu, Sridhar; Sirajuddin, Minhajuddin; Srinivasan, Sankaranarayanan; Krishnamurthy, Vaishnavi; Ranjani, Ranganathan; Ramakrishnan, C; Varadarajan, Raghavan

2007-02-01

The amino acid Pro is more rigid than other naturally occurring amino acids and, in proteins, lacks an amide hydrogen. To understand the structural and thermodynamic effects of Pro substitutions, it was introduced at 13 different positions in four different proteins, leucine-isoleucine-valine binding protein, maltose binding protein, ribose binding protein, and thioredoxin. Three of the maltose binding protein mutants were characterized by X-ray crystallography to confirm that no structural changes had occurred upon mutation. In the remaining cases, fluorescence and CD spectroscopy were used to show the absence of structural change. Stabilities of wild type and mutant proteins were characterized by chemical denaturation at neutral pH and by differential scanning calorimetry as a function of pH. The mutants did not show enhanced stability with respect to chemical denaturation at room temperature. However, 6 of the 13 single mutants showed a small but significant increase in the free energy of thermal unfolding in the range of 0.3-2.4 kcal/mol, 2 mutants showed no change, and 5 were destabilized. In five of the six cases, the stabilization was because of reduced entropy of unfolding. However, the magnitude of the reduction in entropy of unfolding was typically several fold larger than the theoretical estimate of -4 cal K(-1) mol(-1) derived from the relative areas in the Ramachandran map accessible to Pro and Ala residues, respectively. Two double mutants were constructed. In both cases, the effects of the single mutations on the free energy of thermal unfolding were nonadditive. Copyright 2006 Wiley-Liss, Inc.

A thermodynamic derivation of the stress-strain relations for Burgers media and related substances

NARCIS (Netherlands)

Kluitenberg, G.A.

1968-01-01

A generalization is given of the author's thermodynamic theory for mechanical phenomena in continuous media. The developments are based on the general methods of non-equilibrium thermodynamics. Temperature effects are fully taken into account. It is assumed that several microscopic phenomena occur

Thermodynamic properties of water solvating biomolecular surfaces

Science.gov (United States)

Heyden, Matthias

Changes in the potential energy and entropy of water molecules hydrating biomolecular interfaces play a significant role for biomolecular solubility and association. Free energy perturbation and thermodynamic integration methods allow calculations of free energy differences between two states from simulations. However, these methods are computationally demanding and do not provide insights into individual thermodynamic contributions, i.e. changes in the solvent energy or entropy. Here, we employ methods to spatially resolve distributions of hydration water thermodynamic properties in the vicinity of biomolecular surfaces. This allows direct insights into thermodynamic signatures of the hydration of hydrophobic and hydrophilic solvent accessible sites of proteins and small molecules and comparisons to ideal model surfaces. We correlate dynamic properties of hydration water molecules, i.e. translational and rotational mobility, to their thermodynamics. The latter can be used as a guide to extract thermodynamic information from experimental measurements of site-resolved water dynamics. Further, we study energy-entropy compensations of water at different hydration sites of biomolecular surfaces. This work is supported by the Cluster of Excellence RESOLV (EXC 1069) funded by the Deutsche Forschungsgemeinschaft.

Thermodynamically Tuned Nanophase Materials for reversible Hydrogen storage

Energy Technology Data Exchange (ETDEWEB)

Ping Liu; John J. Vajo

2010-02-28

This program was devoted to significantly extending the limits of hydrogen storage technology for practical transportation applications. To meet the hydrogen capacity goals set forth by the DOE, solid-state materials consisting of light elements were developed. Many light element compounds are known that have high capacities. However, most of these materials are thermodynamically too stable, and they release and store hydrogen much too slowly for practical use. In this project we developed new light element chemical systems that have high hydrogen capacities while also having suitable thermodynamic properties. In addition, we developed methods for increasing the rates of hydrogen exchange in these new materials. The program has significantly advanced (1) the application of combined hydride systems for tuning thermodynamic properties and (2) the use of nanoengineering for improving hydrogen exchange. For example, we found that our strategy for thermodynamic tuning allows both entropy and enthalpy to be favorably adjusted. In addition, we demonstrated that using porous supports as scaffolds to confine hydride materials to nanoscale dimensions could improve rates of hydrogen exchange by > 50x. Although a hydrogen storage material meeting the requirements for commercial development was not achieved, this program has provided foundation and direction for future efforts. More broadly, nanoconfinment using scaffolds has application in other energy storage technologies including batteries and supercapacitors. The overall goal of this program was to develop a safe and cost-effective nanostructured light-element hydride material that overcomes the thermodynamic and kinetic barriers to hydrogen reaction and diffusion in current materials and thereby achieve > 6 weight percent hydrogen capacity at temperatures and equilibrium pressures consistent with DOE target values.

THERMODYNAMICS OF ETHANOLAMMONIUM CATIONES DISSOCIATION IN AQUEOUS SOLUTIONS

Directory of Open Access Journals (Sweden)

R. E. Khoma

2017-03-01

Full Text Available The literature data on the thermodynamics of ethanolamines onium cations dissociation have been systematized and generalized. The correlation between these cations dissociation thermodynamic functions (DH and DS and physicochemical properties (Tmp., Tbp, Pp, lgPow et al. has been revealed. There was a correlation between lipophilicity determined experimentally and calculated by QSAR. For monoethanolammonium, diethanolammonium, and their N-methyl and N-ethyl derivatives it was found dissociation thermodynamic functions to depend on bases lgPow. Acid-base dissociation of TRIS and triethanolamine onium cations does not correspond to said relationship because TRIS (primary amine, TEA (tertiary amine act differently on aqueous solutions of SO2. TEA, unlike MEA, DEA and MMEA, has a salting out effect towards sulfur dioxide because of competing hydration that promotes sulfite «onium» salts hydrolysis. TRIS promotes S(IV → S(VI sulphooxidation, in contrast to another ethanolamines. Enthalpy–enthropy compensation with isothermodynamic temperature 303 K has been recorded. The revealed correlations may be useful in developing of procedures for air sanitary cleaning from acidic gases; chemisorbents immobilized for gas and ion exchange chromatography; potentiometric methods for fluorocomplex acids determinations. The use of monoethanolamine is most promising to obtain chemisorbents because the thermodynamic functions of its onium cation acid-base dissociation are least dependent on temperature compared to other etanolammonium cations.

Estimation of kinetic and thermodynamic ligand-binding parameters using computational strategies.

Science.gov (United States)

Deganutti, Giuseppe; Moro, Stefano

2017-04-01

Kinetic and thermodynamic ligand-protein binding parameters are gaining growing importance as key information to consider in drug discovery. The determination of the molecular structures, using particularly x-ray and NMR techniques, is crucial for understanding how a ligand recognizes its target in the final binding complex. However, for a better understanding of the recognition processes, experimental studies of ligand-protein interactions are needed. Even though several techniques can be used to investigate both thermodynamic and kinetic profiles for a ligand-protein complex, these procedures are very often laborious, time consuming and expensive. In the last 10 years, computational approaches have enormous potential in providing insights into each of the above effects and in parsing their contributions to the changes in both kinetic and thermodynamic binding parameters. The main purpose of this review is to summarize the state of the art of computational strategies for estimating the kinetic and thermodynamic parameters of a ligand-protein binding.

Tables of thermodynamic functions for gaseous thorium, uranium, and plutonium oxides

International Nuclear Information System (INIS)

Green, D.W.

1980-03-01

Measured and estimated spectroscopic data for thorium, uranium, and plutonium oxide vapor species have been used with the methods of statistical mechanics to calculate thermodynamic functions. Some inconsistencies between spectroscopic data and some thermodynamic data have been resolved by recalculating ΔH 0 /sub f/ (298.15 0 K) values for the vapor species of these oxides. Evaluation of the uncertainties in data, methods of estimating molecular parameters, and effects of assumptions have been discussed elsewhere. The tables of thermodynamic functions that were reported earlier have been revised principally because the low-frequency vibrational modes of UO 2 and UO 3 have now been measured. These new empirical data resulted in changes in the electronic contributions to the calculated thermodynamic functions of UO 2 and the estimated vibrational contributions for PuO 2 . In addition, some minor changes have been made in the methods of calculation of the electronic contributions for all molecules

Is thermodynamic irreversibility a consequence of the expansion of the Universe?

Science.gov (United States)

Osváth, Szabolcs

2018-02-01

This paper explains thermodynamic irreversibility by applying the expansion of the Universe to thermodynamic systems. The effect of metric expansion is immeasurably small on shorter scales than intergalactic distances. Multi-particle systems, however, are chaotic, and amplify any small disturbance exponentially. Metric expansion gives rise to time-asymmetric behaviour in thermodynamic systems in a short time (few nanoseconds in air, few ten picoseconds in water). In contrast to existing publications, this paper explains without any additional assumptions the rise of thermodynamic irreversibility from the underlying reversible mechanics of particles. Calculations for the special case which assumes FLRW metric, slow motions (v ≪ c) and approximates space locally by Euclidean space show that metric expansion causes entropy increase in isolated systems. The rise of time-asymmetry, however, is not affected by these assumptions. Any influence of the expansion of the Universe on the local metric causes a coupling between local mechanics and evolution of the Universe.

Thermodynamic Analysis of Chemically Reacting Mixtures-Comparison of First and Second Order Models.